info:bmrb/4444
type: datablock
references: doi:10.13018/BMR4444
alternative label: bmr4444
title: 1H, 13C and 15N chemical shift assignments and secondary structure of Halobacterium salinarum ferredoxin
datablock name: 4444
has assembly category: assemblyCategory
has assembly common name category: assembly common nameCategory
has assembly type category: assembly typeCategory
has assigned chem shift list category: assigned chem shift listCategory
has atom chem shift category: atom chem shiftCategory
has bond category: bondCategory
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has chem comp descriptor category: chem comp descriptorCategory
has chem comp identifier category: chem comp identifierCategory
has chem shift completeness char category: chem shift completeness charCategory
has chem shift completeness list category: chem shift completeness listCategory
has chem shift experiment category: chem shift experimentCategory
has chem shift ref category: chem shift refCategory
has chem shift reference category: chem shift referenceCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has data set category: data setCategory
has datum category: datumCategory
has entity category: entityCategory
has entity assembly category: entity assemblyCategory
has entity common name category: entity common nameCategory
has entity comp index category: entity comp indexCategory
has entity db link category: entity db linkCategory
has entity experimental src category: entity experimental srcCategory
has entity experimental src list category: entity experimental src listCategory
has entity natural src category: entity natural srcCategory
has entity natural src list category: entity natural src listCategory
has entity poly seq category: entity poly seqCategory
has entry category: entryCategory
has entry author category: entry authorCategory
has experiment category: experimentCategory
has experiment list category: experiment listCategory
has lacs char category: lacs charCategory
has lacs plot category: lacs plotCategory
has nmr spec expt category: nmr spec exptCategory
has nmr spectrometer category: nmr spectrometerCategory
has nmr spectrometer list category: nmr spectrometer listCategory
has nmr spectrometer view category: nmr spectrometer viewCategory
has release category: releaseCategory
has sample category: sampleCategory
has sample component category: sample componentCategory
has sample condition list category: sample condition listCategory
has sample condition variable category: sample condition variableCategory
has software category: softwareCategory
has task category: taskCategory

4444,1
type: assembly
of datablock: info:bmrb/4444
reference to entry: entry
assembly.entry id: 4444
assembly.id: 1
assembly.name: Ferredoxin
assembly.paramagnetic: yes
assembly.sf category: assembly
assembly.sf framecode: Fdx
assembly.thiol state: all disulfide bound

1,4444,Ferredoxin,system
type: assembly common name
of datablock: info:bmrb/4444
assembly common name.assembly id: 1
assembly common name.entry id: 4444
assembly common name.name: Ferredoxin
assembly common name.type: system

1,4444,Fdx,abbreviation
type: assembly common name
of datablock: info:bmrb/4444
assembly common name.assembly id: 1
assembly common name.entry id: 4444
assembly common name.name: Fdx
assembly common name.type: abbreviation

1,4444,protein monomer
type: assembly type
of datablock: info:bmrb/4444
assembly type.assembly id: 1
assembly type.entry id: 4444
assembly type.type: protein monomer

4444,1
type: assigned chem shift list
of datablock: info:bmrb/4444
reference to entry: entry
assigned chem shift list.entry id: 4444
assigned chem shift list.id: 1
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chemical_shift_reference
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: Ex-cond_1
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: shift_set_1

1,4444,1
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1
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atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: PRO
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 4.60
atom chem shift.val err: 0.02

1,4444,2
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: PRO
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 171.38
atom chem shift.val err: 0.15

1,4444,3
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 3
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atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: PRO
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 63.31
atom chem shift.val err: 0.15

1,4444,4
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 4
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: PRO
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 32.10
atom chem shift.val err: 0.15

1,4444,5
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 5
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atom chem shift.comp id: THR
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 8.87
atom chem shift.val err: 0.02

1,4444,6
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 6
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 4.96
atom chem shift.val err: 0.02

1,4444,7
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 7
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 4.08
atom chem shift.val err: 0.02

1,4444,8
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 8
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 1.21
atom chem shift.val err: 0.02

1,4444,9
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 9
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 1.21
atom chem shift.val err: 0.02

1,4444,10
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 10
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atom chem shift.val: 1.21
atom chem shift.val err: 0.02

1,4444,11
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 11
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atom chem shift.seq id: 2
atom chem shift.val: 173.36
atom chem shift.val err: 0.15

1,4444,12
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 62.03
atom chem shift.val err: 0.15

1,4444,13
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 70.71
atom chem shift.val err: 0.15

1,4444,14
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 14
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atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 21.90
atom chem shift.val err: 0.15

1,4444,15
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 15
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atom chem shift.comp id: THR
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 119.16
atom chem shift.val err: 0.1

1,4444,16
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 16
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1,4444,17
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.91
atom chem shift.val err: 0.02

1,4444,18
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,19
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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1,4444,20
type: atom chem shift
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1,4444,21
type: atom chem shift
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1,4444,22
type: atom chem shift
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1,4444,23
type: atom chem shift
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1,4444,24
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1,4444,25
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1,4444,26
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1,4444,27
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1,4444,28
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1,4444,29
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1,4444,30
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1,4444,31
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1,4444,32
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1,4444,33
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1,4444,34
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1,4444,35
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1,4444,36
type: atom chem shift
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1,4444,37
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1,4444,38
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1,4444,39
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1,4444,40
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 6.43
atom chem shift.val err: 0.02

1,4444,41
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 41
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 2.70
atom chem shift.val err: 0.02

1,4444,42
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 42
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 3.10
atom chem shift.val err: 0.02

1,4444,43
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 43
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 6.80
atom chem shift.val err: 0.02

1,4444,44
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 44
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 6.80
atom chem shift.val err: 0.02

1,4444,45
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity id: 1
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atom chem shift.val err: 0.02

1,4444,46
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 46
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 6.73
atom chem shift.val err: 0.02

1,4444,47
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 172.80
atom chem shift.val err: 0.15

1,4444,48
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 48
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 54.52
atom chem shift.val err: 0.15

1,4444,49
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 49
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 44.12
atom chem shift.val err: 0.15

1,4444,50
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 50
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 123.93
atom chem shift.val err: 0.1

1,4444,51
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 51
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 6
atom chem shift.val: 8.33
atom chem shift.val err: 0.02

1,4444,52
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 5.76
atom chem shift.val err: 0.02

1,4444,53
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 53
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 1.46
atom chem shift.val err: 0.02

1,4444,54
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 54
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 1.46
atom chem shift.val err: 0.02

1,4444,55
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 55
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atom chem shift.val: 0.43
atom chem shift.val err: 0.02

1,4444,56
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 56
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 0.43
atom chem shift.val err: 0.02

1,4444,57
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.43
atom chem shift.val err: 0.02

1,4444,58
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 58
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 1.17
atom chem shift.val err: 0.02

1,4444,59
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 59
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 6
atom chem shift.val: 1.17
atom chem shift.val err: 0.02

1,4444,60
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 1.17
atom chem shift.val err: 0.02

1,4444,61
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 176.03
atom chem shift.val err: 0.15

1,4444,62
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,63
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 48.41
atom chem shift.val err: 0.15

1,4444,64
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 27.11
atom chem shift.val err: 0.15

1,4444,65
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,66
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 118.58
atom chem shift.val err: 0.1

1,4444,67
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,68
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,69
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.42
atom chem shift.val err: 0.02

1,4444,70
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,71
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,72
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,73
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 176.00
atom chem shift.val err: 0.15

1,4444,74
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,75
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 38.33
atom chem shift.val err: 0.15

1,4444,76
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 76
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 127.41
atom chem shift.val err: 0.1

1,4444,77
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 77
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 113.83
atom chem shift.val err: 0.1

1,4444,78
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,79
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.72
atom chem shift.val err: 0.02

1,4444,80
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,81
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,82
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,83
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,84
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,85
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 6.72
atom chem shift.val err: 0.02

1,4444,86
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 177.24
atom chem shift.val err: 0.15

1,4444,87
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 87
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atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 62.55
atom chem shift.val err: 0.15

1,4444,88
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 88
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 40.69
atom chem shift.val err: 0.15

1,4444,89
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 89
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 131.21
atom chem shift.val err: 0.1

1,4444,90
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 90
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atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 8.13
atom chem shift.val err: 0.02

1,4444,91
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 91
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atom chem shift.entity id: 1
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atom chem shift.val err: 0.02

1,4444,92
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,93
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 93
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atom chem shift.val err: 0.02

1,4444,94
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 94
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atom chem shift.val: 177.53
atom chem shift.val err: 0.15

1,4444,95
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 95
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atom chem shift.seq id: 9
atom chem shift.val: 59.22
atom chem shift.val err: 0.15

1,4444,96
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 96
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atom chem shift.val: 29.94
atom chem shift.val err: 0.15

1,4444,97
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 97
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 114.75
atom chem shift.val err: 0.1

1,4444,98
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 98
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atom chem shift.seq id: 10
atom chem shift.val: 7.61
atom chem shift.val err: 0.02

1,4444,99
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.seq id: 10
atom chem shift.val: 3.88
atom chem shift.val err: 0.02

1,4444,100
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 100
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atom chem shift.seq id: 10
atom chem shift.val: 4.10
atom chem shift.val err: 0.02

1,4444,101
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 1.25
atom chem shift.val err: 0.02

1,4444,102
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,103
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,104
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 175.93
atom chem shift.val err: 0.15

1,4444,105
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 64.98
atom chem shift.val err: 0.15

1,4444,106
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 69.41
atom chem shift.val err: 0.15

1,4444,107
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 113.61
atom chem shift.val err: 0.1

1,4444,108
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,109
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.69
atom chem shift.val err: 0.02

1,4444,110
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.55
atom chem shift.val err: 0.02

1,4444,111
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,112
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,113
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,114
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,115
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,116
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,117
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,118
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,119
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,120
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,121
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,122
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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1,4444,123
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,124
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,125
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,126
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,127
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,128
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,129
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,130
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.atom id: N
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atom chem shift.atom type: N
atom chem shift.comp id: ASP
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 118.22
atom chem shift.val err: 0.1

1,4444,131
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 7.28
atom chem shift.val err: 0.02

1,4444,132
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 132
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 4.21
atom chem shift.val err: 0.02

1,4444,133
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.seq id: 13
atom chem shift.val: 2.51
atom chem shift.val err: 0.02

1,4444,134
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.seq id: 13
atom chem shift.val: 2.51
atom chem shift.val err: 0.02

1,4444,135
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 177.84
atom chem shift.val err: 0.15

1,4444,136
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 136
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 13
atom chem shift.val: 57.23
atom chem shift.val err: 0.15

1,4444,137
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 137
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atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 41.43
atom chem shift.val err: 0.15

1,4444,138
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 138
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 118.98
atom chem shift.val err: 0.1

1,4444,139
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 14
atom chem shift.val: 7.32
atom chem shift.val err: 0.02

1,4444,140
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 140
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 14
atom chem shift.val: 3.61
atom chem shift.val err: 0.02

1,4444,141
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 141
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.40
atom chem shift.val err: 0.02

1,4444,142
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 142
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 14
atom chem shift.val: 1.85
atom chem shift.val err: 0.02

1,4444,143
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 143
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atom chem shift.val: 1.85
atom chem shift.val err: 0.02

1,4444,144
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 6.77
atom chem shift.val err: 0.02

1,4444,145
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,146
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 14
atom chem shift.val: 171.00
atom chem shift.val err: 0.15

1,4444,147
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.seq id: 14
atom chem shift.val: 54.78
atom chem shift.val err: 0.15

1,4444,148
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 148
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atom chem shift.val: 26.70
atom chem shift.val err: 0.15

1,4444,149
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 149
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 14
atom chem shift.val: 113.92
atom chem shift.val err: 0.1

1,4444,150
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.seq id: 14
atom chem shift.val: 112.75
atom chem shift.val err: 0.1

1,4444,151
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,152
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,153
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.90
atom chem shift.val err: 0.02

1,4444,154
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 175.25
atom chem shift.val err: 0.15

1,4444,155
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,156
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,157
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,158
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,159
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.87
atom chem shift.val err: 0.02

1,4444,160
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val err: 0.02

1,4444,161
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,162
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,163
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,164
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,165
type: atom chem shift
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1,4444,166
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,167
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,168
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,169
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.15

1,4444,170
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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1,4444,171
type: atom chem shift
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1,4444,172
type: atom chem shift
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1,4444,173
type: atom chem shift
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1,4444,174
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1,4444,175
type: atom chem shift
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 175.98
atom chem shift.val err: 0.15

1,4444,176
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 176
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 53.03
atom chem shift.val err: 0.15

1,4444,177
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 177
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 45.80
atom chem shift.val err: 0.15

1,4444,178
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 178
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASP
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 121.81
atom chem shift.val err: 0.1

1,4444,179
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 179
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: MET
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 8.79
atom chem shift.val err: 0.02

1,4444,180
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 180
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: MET
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 4.11
atom chem shift.val err: 0.02

1,4444,181
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 181
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
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atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 2.15
atom chem shift.val err: 0.02

1,4444,182
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 182
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 2.15
atom chem shift.val err: 0.02

1,4444,183
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 183
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: MET
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 175.90
atom chem shift.val err: 0.15

1,4444,184
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 184
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: MET
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 57.87
atom chem shift.val err: 0.15

1,4444,185
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 185
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: MET
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 33.54
atom chem shift.val err: 0.15

1,4444,186
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 186
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: MET
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 124.37
atom chem shift.val err: 0.1

1,4444,187
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 187
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 8.65
atom chem shift.val err: 0.02

1,4444,188
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 188
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 4.76
atom chem shift.val err: 0.02

1,4444,189
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 189
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 2.60
atom chem shift.val err: 0.02

1,4444,190
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 190
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 2.89
atom chem shift.val err: 0.02

1,4444,191
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 191
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 176.45
atom chem shift.val err: 0.15

1,4444,192
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 192
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 54.07
atom chem shift.val err: 0.15

1,4444,193
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 193
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 40.82
atom chem shift.val err: 0.15

1,4444,194
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 194
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 115.71
atom chem shift.val err: 0.1

1,4444,195
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 195
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 7.93
atom chem shift.val err: 0.02

1,4444,196
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 196
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 4.47
atom chem shift.val err: 0.02

1,4444,197
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 197
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 2.75
atom chem shift.val err: 0.02

1,4444,198
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 198
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.atom type: H
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atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 2.75
atom chem shift.val err: 0.02

1,4444,199
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 199
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 178.63
atom chem shift.val err: 0.15

1,4444,200
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 200
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 55.46
atom chem shift.val err: 0.15

1,4444,201
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 201
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 40.64
atom chem shift.val err: 0.15

1,4444,202
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 202
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASP
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 122.91
atom chem shift.val err: 0.1

1,4444,203
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 203
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 9.21
atom chem shift.val err: 0.02

1,4444,204
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 204
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 4.48
atom chem shift.val err: 0.02

1,4444,205
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 205
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 2.74
atom chem shift.val err: 0.02

1,4444,206
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 206
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 2.74
atom chem shift.val err: 0.02

1,4444,207
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 207
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 176.80
atom chem shift.val err: 0.15

1,4444,208
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 208
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 56.69
atom chem shift.val err: 0.15

1,4444,209
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 209
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 40.72
atom chem shift.val err: 0.15

1,4444,210
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 210
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASP
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 127.99
atom chem shift.val err: 0.1

1,4444,211
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 211
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 8.51
atom chem shift.val err: 0.02

1,4444,212
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 212
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 4.91
atom chem shift.val err: 0.02

1,4444,213
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 213
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 2.56
atom chem shift.val err: 0.02

1,4444,214
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 214
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 2.89
atom chem shift.val err: 0.02

1,4444,215
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 215
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 176.46
atom chem shift.val err: 0.15

1,4444,216
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 216
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 52.27
atom chem shift.val err: 0.15

1,4444,217
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 217
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 39.90
atom chem shift.val err: 0.15

1,4444,218
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 218
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASP
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 117.68
atom chem shift.val err: 0.1

1,4444,219
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 219
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 7.09
atom chem shift.val err: 0.02

1,4444,220
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 220
atom chem shift.assembly atom id: 0
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atom chem shift.val: 3.24
atom chem shift.val err: 0.02

1,4444,221
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.43
atom chem shift.val err: 0.02

1,4444,222
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.71
atom chem shift.val err: 0.02

1,4444,223
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.63
atom chem shift.val err: 0.02

1,4444,224
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 0.63
atom chem shift.val err: 0.02

1,4444,225
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,226
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val err: 0.02

1,4444,227
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,228
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,229
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,230
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 59.22
atom chem shift.val err: 0.15

1,4444,231
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 43.19
atom chem shift.val err: 0.15

1,4444,232
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,233
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,234
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 120.23
atom chem shift.val err: 0.1

1,4444,235
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,236
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.72
atom chem shift.val err: 0.02

1,4444,237
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.81
atom chem shift.val err: 0.02

1,4444,238
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,239
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,240
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,241
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,242
type: atom chem shift
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1,4444,243
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,4444,244
type: atom chem shift
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1,4444,245
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,246
type: atom chem shift
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1,4444,247
type: atom chem shift
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1,4444,248
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1,4444,249
type: atom chem shift
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1,4444,250
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1,4444,251
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1,4444,252
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1,4444,253
type: atom chem shift
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1,4444,254
type: atom chem shift
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1,4444,255
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,256
type: atom chem shift
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1,4444,257
type: atom chem shift
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1,4444,258
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1,4444,259
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1,4444,260
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1,4444,261
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1,4444,262
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1,4444,263
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1,4444,264
type: atom chem shift
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1,4444,265
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atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 3.82
atom chem shift.val err: 0.02

1,4444,266
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 266
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 0.78
atom chem shift.val err: 0.02

1,4444,267
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 267
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 0.78
atom chem shift.val err: 0.02

1,4444,268
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 268
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 0.78
atom chem shift.val err: 0.02

1,4444,269
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 269
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 178.91
atom chem shift.val err: 0.15

1,4444,270
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 270
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atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 55.26
atom chem shift.val err: 0.15

1,4444,271
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 271
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 18.93
atom chem shift.val err: 0.15

1,4444,272
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 272
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 122.69
atom chem shift.val err: 0.1

1,4444,273
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 273
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 7.27
atom chem shift.val err: 0.02

1,4444,274
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 274
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 3.80
atom chem shift.val err: 0.02

1,4444,275
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 275
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 1.52
atom chem shift.val err: 0.02

1,4444,276
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 276
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atom chem shift.val: 1.52
atom chem shift.val err: 0.02

1,4444,277
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 277
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.52
atom chem shift.val err: 0.02

1,4444,278
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 278
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 179.10
atom chem shift.val err: 0.15

1,4444,279
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 279
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 54.93
atom chem shift.val err: 0.15

1,4444,280
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 280
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 18.33
atom chem shift.val err: 0.15

1,4444,281
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 281
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 118.94
atom chem shift.val err: 0.1

1,4444,282
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 282
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atom chem shift.seq id: 29
atom chem shift.val: 7.16
atom chem shift.val err: 0.02

1,4444,283
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 283
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atom chem shift.seq id: 29
atom chem shift.val: 4.89
atom chem shift.val err: 0.02

1,4444,284
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.49
atom chem shift.val err: 0.02

1,4444,285
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 2.79
atom chem shift.val err: 0.02

1,4444,286
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 176.90
atom chem shift.val err: 0.15

1,4444,287
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 54.43
atom chem shift.val err: 0.15

1,4444,288
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 288
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atom chem shift.seq id: 29
atom chem shift.val: 42.26
atom chem shift.val err: 0.15

1,4444,289
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 289
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atom chem shift.seq id: 29
atom chem shift.val: 116.49
atom chem shift.val err: 0.1

1,4444,290
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val err: 0.02

1,4444,291
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 4.44
atom chem shift.val err: 0.02

1,4444,292
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,293
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,294
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,295
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,296
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,297
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,298
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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1,4444,299
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,300
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,301
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,302
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,303
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,304
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,305
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,306
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,307
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,308
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,309
type: atom chem shift
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1,4444,310
type: atom chem shift
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atom chem shift.seq id: 32
atom chem shift.val: 54.19
atom chem shift.val err: 0.15

1,4444,311
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 311
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 43.16
atom chem shift.val err: 0.15

1,4444,312
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 312
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: LEU
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 120.97
atom chem shift.val err: 0.1

1,4444,313
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 313
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 9.56
atom chem shift.val err: 0.02

1,4444,314
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 314
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
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atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 4.78
atom chem shift.val err: 0.02

1,4444,315
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 315
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 2.90
atom chem shift.val err: 0.02

1,4444,316
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 316
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 2.96
atom chem shift.val err: 0.02

1,4444,317
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 317
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 178.17
atom chem shift.val err: 0.15

1,4444,318
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 318
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 54.78
atom chem shift.val err: 0.15

1,4444,319
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 319
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 42.70
atom chem shift.val err: 0.15

1,4444,320
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 320
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.atom type: N
atom chem shift.comp id: ASP
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 124.21
atom chem shift.val err: 0.1

1,4444,321
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 321
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 9.00
atom chem shift.val err: 0.02

1,4444,322
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 322
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 4.51
atom chem shift.val err: 0.02

1,4444,323
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 323
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 4.10
atom chem shift.val err: 0.02

1,4444,324
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 324
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.atom type: C
atom chem shift.comp id: GLY
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 175.14
atom chem shift.val err: 0.15

1,4444,325
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 325
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 46.91
atom chem shift.val err: 0.15

1,4444,326
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 326
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 111.30
atom chem shift.val err: 0.1

1,4444,327
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 327
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 9.11
atom chem shift.val err: 0.02

1,4444,328
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 328
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 3.60
atom chem shift.val err: 0.02

1,4444,329
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 329
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 2.05
atom chem shift.val err: 0.02

1,4444,330
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 330
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 2.05
atom chem shift.val err: 0.02

1,4444,331
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 331
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.44
atom chem shift.val err: 0.02

1,4444,332
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 332
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 35
atom chem shift.val: 2.44
atom chem shift.val err: 0.02

1,4444,333
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 333
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.atom type: C
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 178.52
atom chem shift.val err: 0.15

1,4444,334
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 59.10
atom chem shift.val err: 0.15

1,4444,335
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 335
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 35
atom chem shift.val: 29.83
atom chem shift.val err: 0.15

1,4444,336
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 336
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 37.60
atom chem shift.val err: 0.15

1,4444,337
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 337
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 119.92
atom chem shift.val err: 0.1

1,4444,338
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 338
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 8.07
atom chem shift.val err: 0.02

1,4444,339
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 339
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 5.15
atom chem shift.val err: 0.02

1,4444,340
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 2.98
atom chem shift.val err: 0.02

1,4444,341
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 341
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 2.98
atom chem shift.val err: 0.02

1,4444,342
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 342
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 175.39
atom chem shift.val err: 0.15

1,4444,343
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 343
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atom chem shift.val: 56.74
atom chem shift.val err: 0.15

1,4444,344
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity id: 1
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atom chem shift.val: 43.41
atom chem shift.val err: 0.15

1,4444,345
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 345
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 36
atom chem shift.val: 119.78
atom chem shift.val err: 0.1

1,4444,346
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.03
atom chem shift.val err: 0.02

1,4444,347
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 5.39
atom chem shift.val err: 0.02

1,4444,348
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val err: 0.02

1,4444,349
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 349
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atom chem shift.val: 3.36
atom chem shift.val err: 0.02

1,4444,350
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val err: 0.02

1,4444,351
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,352
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,353
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,354
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 172.79
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1,4444,355
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 57.38
atom chem shift.val err: 0.15

1,4444,356
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 356
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: TYR
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 43.15
atom chem shift.val err: 0.15

1,4444,357
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 357
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: TYR
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 120.68
atom chem shift.val err: 0.1

1,4444,358
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 358
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 6.23
atom chem shift.val err: 0.02

1,4444,359
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 359
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
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atom chem shift.atom type: H
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atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 3.94
atom chem shift.val err: 0.02

1,4444,360
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 360
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 3.07
atom chem shift.val err: 0.02

1,4444,361
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 361
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 182.18
atom chem shift.val err: 0.15

1,4444,362
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 362
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 45.05
atom chem shift.val err: 0.15

1,4444,363
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 363
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLY
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 114.94
atom chem shift.val err: 0.1

1,4444,364
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 364
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 8.00
atom chem shift.val err: 0.02

1,4444,365
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 365
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
atom chem shift.comp id: THR
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 5.52
atom chem shift.val err: 0.02

1,4444,366
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 366
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
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atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 3.89
atom chem shift.val err: 0.02

1,4444,367
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 367
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
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atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 1.08
atom chem shift.val err: 0.02

1,4444,368
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 368
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 1.08
atom chem shift.val err: 0.02

1,4444,369
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 369
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 1.08
atom chem shift.val err: 0.02

1,4444,370
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 370
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 174.08
atom chem shift.val err: 0.15

1,4444,371
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 371
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 59.87
atom chem shift.val err: 0.15

1,4444,372
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 372
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 72.04
atom chem shift.val err: 0.15

1,4444,373
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 373
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atom chem shift.atom id: CG2
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 21.90
atom chem shift.val err: 0.15

1,4444,374
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 374
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.comp id: THR
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 109.66
atom chem shift.val err: 0.1

1,4444,375
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 375
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 9.21
atom chem shift.val err: 0.02

1,4444,376
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 376
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 4.97
atom chem shift.val err: 0.02

1,4444,377
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 377
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 1.96
atom chem shift.val err: 0.02

1,4444,378
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 378
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.atom type: H
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atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 2.16
atom chem shift.val err: 0.02

1,4444,379
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 379
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atom chem shift.atom id: HG2
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 2.24
atom chem shift.val err: 0.02

1,4444,380
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 380
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 2.37
atom chem shift.val err: 0.02

1,4444,381
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 381
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 1.53
atom chem shift.val err: 0.02

1,4444,382
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 382
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 1.53
atom chem shift.val err: 0.02

1,4444,383
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 1.53
atom chem shift.val err: 0.02

1,4444,384
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 384
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.atom type: C
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atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 173.86
atom chem shift.val err: 0.15

1,4444,385
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 385
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atom chem shift.atom type: C
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atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 54.49
atom chem shift.val err: 0.15

1,4444,386
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 386
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atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 36.18
atom chem shift.val err: 0.15

1,4444,387
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 387
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 18.60
atom chem shift.val err: 0.15

1,4444,388
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 388
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: MET
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 121.02
atom chem shift.val err: 0.1

1,4444,389
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 389
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 8.67
atom chem shift.val err: 0.02

1,4444,390
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity id: 1
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atom chem shift.val: 4.90
atom chem shift.val err: 0.02

1,4444,391
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 391
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 1.93
atom chem shift.val err: 0.02

1,4444,392
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 392
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atom chem shift.entity assembly id: 1
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atom chem shift.val err: 0.02

1,4444,393
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 393
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atom chem shift.val err: 0.02

1,4444,394
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 394
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val err: 0.02

1,4444,395
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 395
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 176.10
atom chem shift.val err: 0.15

1,4444,396
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 396
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atom chem shift.val err: 0.15

1,4444,397
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 397
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atom chem shift.val err: 0.15

1,4444,398
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 398
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 124.12
atom chem shift.val err: 0.1

1,4444,399
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 399
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atom chem shift.val: 8.73
atom chem shift.val err: 0.02

1,4444,400
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 400
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 4.12
atom chem shift.val err: 0.02

1,4444,401
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 401
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 1.64
atom chem shift.val err: 0.02

1,4444,402
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 402
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 0.93
atom chem shift.val err: 0.02

1,4444,403
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 403
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 0.93
atom chem shift.val err: 0.02

1,4444,404
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 404
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 0.93
atom chem shift.val err: 0.02

1,4444,405
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 405
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 0.81
atom chem shift.val err: 0.02

1,4444,406
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 406
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 0.81
atom chem shift.val err: 0.02

1,4444,407
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 407
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 0.81
atom chem shift.val err: 0.02

1,4444,408
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 408
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 174.48
atom chem shift.val err: 0.15

1,4444,409
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 409
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 61.38
atom chem shift.val err: 0.15

1,4444,410
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 410
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 35.45
atom chem shift.val err: 0.15

1,4444,411
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 411
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 22.20
atom chem shift.val err: 0.15

1,4444,412
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 412
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 22.70
atom chem shift.val err: 0.15

1,4444,413
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 413
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: VAL
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 126.97
atom chem shift.val err: 0.1

1,4444,414
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 414
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ALA
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 9.06
atom chem shift.val err: 0.02

1,4444,415
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 415
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 4.34
atom chem shift.val err: 0.02

1,4444,416
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 416
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
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atom chem shift.atom type: H
atom chem shift.comp id: ALA
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 1.37
atom chem shift.val err: 0.02

1,4444,417
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 417
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 1.37
atom chem shift.val err: 0.02

1,4444,418
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 418
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 1.37
atom chem shift.val err: 0.02

1,4444,419
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 419
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.atom type: C
atom chem shift.comp id: ALA
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 178.01
atom chem shift.val err: 0.15

1,4444,420
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 420
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 52.16
atom chem shift.val err: 0.15

1,4444,421
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 421
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 19.25
atom chem shift.val err: 0.15

1,4444,422
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 422
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.atom type: N
atom chem shift.comp id: ALA
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 131.58
atom chem shift.val err: 0.1

1,4444,423
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 423
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 8.72
atom chem shift.val err: 0.02

1,4444,424
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 424
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 44
atom chem shift.val: 4.04
atom chem shift.val err: 0.02

1,4444,425
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 425
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 1.96
atom chem shift.val err: 0.02

1,4444,426
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 426
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 44
atom chem shift.val: 1.96
atom chem shift.val err: 0.02

1,4444,427
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 2.29
atom chem shift.val err: 0.02

1,4444,428
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 428
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.29
atom chem shift.val err: 0.02

1,4444,429
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 429
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.comp id: GLU
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 178.43
atom chem shift.val err: 0.15

1,4444,430
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 430
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atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 59.17
atom chem shift.val err: 0.15

1,4444,431
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 431
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 29.10
atom chem shift.val err: 0.15

1,4444,432
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 432
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 119.53
atom chem shift.val err: 0.1

1,4444,433
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 433
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.88
atom chem shift.val err: 0.02

1,4444,434
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 4.03
atom chem shift.val err: 0.02

1,4444,435
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 3.65
atom chem shift.val err: 0.02

1,4444,436
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 436
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 172.91
atom chem shift.val err: 0.15

1,4444,437
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 437
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 45.32
atom chem shift.val err: 0.15

1,4444,438
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 438
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLY
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 113.46
atom chem shift.val err: 0.1

1,4444,439
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 439
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 7.84
atom chem shift.val err: 0.02

1,4444,440
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 440
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 4.13
atom chem shift.val err: 0.02

1,4444,441
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 441
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
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atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 1.74
atom chem shift.val err: 0.02

1,4444,442
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 442
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 2.27
atom chem shift.val err: 0.02

1,4444,443
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 443
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 175.19
atom chem shift.val err: 0.15

1,4444,444
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 444
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 54.96
atom chem shift.val err: 0.15

1,4444,445
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 445
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 31.44
atom chem shift.val err: 0.15

1,4444,446
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 446
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLU
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 123.32
atom chem shift.val err: 0.1

1,4444,447
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 447
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
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atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 8.45
atom chem shift.val err: 0.02

1,4444,448
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 448
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 5.14
atom chem shift.val err: 0.02

1,4444,449
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 449
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 2.76
atom chem shift.val err: 0.02

1,4444,450
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 450
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 3.16
atom chem shift.val err: 0.02

1,4444,451
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 451
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atom chem shift.atom id: HD1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 6.91
atom chem shift.val err: 0.02

1,4444,452
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 452
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 6.91
atom chem shift.val err: 0.02

1,4444,453
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 453
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 6.84
atom chem shift.val err: 0.02

1,4444,454
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 454
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 6.84
atom chem shift.val err: 0.02

1,4444,455
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 455
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atom chem shift.comp id: TYR
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 178.79
atom chem shift.val err: 0.15

1,4444,456
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 456
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 55.36
atom chem shift.val err: 0.15

1,4444,457
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 457
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 38.31
atom chem shift.val err: 0.15

1,4444,458
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 458
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: TYR
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 122.48
atom chem shift.val err: 0.1

1,4444,459
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 459
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 9.11
atom chem shift.val err: 0.02

1,4444,460
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 460
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 3.52
atom chem shift.val err: 0.02

1,4444,461
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 461
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 1.80
atom chem shift.val err: 0.02

1,4444,462
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 462
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 1.08
atom chem shift.val err: 0.02

1,4444,463
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 463
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 2.16
atom chem shift.val err: 0.02

1,4444,464
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 464
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atom chem shift.atom id: HD11
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 0.88
atom chem shift.val err: 0.02

1,4444,465
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 465
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 0.88
atom chem shift.val err: 0.02

1,4444,466
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.88
atom chem shift.val err: 0.02

1,4444,467
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 467
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.atom type: C
atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 176.66
atom chem shift.val err: 0.15

1,4444,468
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 468
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 66.12
atom chem shift.val err: 0.15

1,4444,469
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 469
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 38.62
atom chem shift.val err: 0.15

1,4444,470
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 470
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 14.20
atom chem shift.val err: 0.15

1,4444,471
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 471
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 123.01
atom chem shift.val err: 0.1

1,4444,472
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 472
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atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 7.93
atom chem shift.val err: 0.02

1,4444,473
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 473
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 3.94
atom chem shift.val err: 0.02

1,4444,474
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 474
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 2.27
atom chem shift.val err: 0.02

1,4444,475
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 2.27
atom chem shift.val err: 0.02

1,4444,476
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.07
atom chem shift.val err: 0.02

1,4444,477
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 177.09
atom chem shift.val err: 0.15

1,4444,478
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 478
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atom chem shift.entity id: 1
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atom chem shift.val: 58.52
atom chem shift.val err: 0.15

1,4444,479
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 42.57
atom chem shift.val err: 0.15

1,4444,480
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 480
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 117.24
atom chem shift.val err: 0.1

1,4444,481
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 6.58
atom chem shift.val err: 0.02

1,4444,482
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 482
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atom chem shift.val err: 0.02

1,4444,483
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,484
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,485
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.entry id: 4444
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atom chem shift.val err: 0.15

1,4444,486
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val err: 0.15

1,4444,487
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val err: 0.15

1,4444,488
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 488
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 115.11
atom chem shift.val err: 0.1

1,4444,489
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val err: 0.02

1,4444,490
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 490
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.13
atom chem shift.val err: 0.02

1,4444,491
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 1.45
atom chem shift.val err: 0.02

1,4444,492
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,493
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.45
atom chem shift.val err: 0.02

1,4444,494
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 179.75
atom chem shift.val err: 0.15

1,4444,495
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 55.32
atom chem shift.val err: 0.15

1,4444,496
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
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atom chem shift.val: 19.31
atom chem shift.val err: 0.15

1,4444,497
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 497
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atom chem shift.val: 124.91
atom chem shift.val err: 0.1

1,4444,498
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,499
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val: 3.41
atom chem shift.val err: 0.02

1,4444,500
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 180.57
atom chem shift.val err: 0.15

1,4444,501
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 55.21
atom chem shift.val err: 0.15

1,4444,502
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 15.07
atom chem shift.val err: 0.15

1,4444,503
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 52
atom chem shift.val: 122.66
atom chem shift.val err: 0.1

1,4444,504
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,505
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.11
atom chem shift.val err: 0.02

1,4444,506
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,507
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,508
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.15

1,4444,509
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,510
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,511
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,512
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,513
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,514
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,515
type: atom chem shift
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1,4444,516
type: atom chem shift
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1,4444,517
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1,4444,518
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.15

1,4444,519
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.15

1,4444,520
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4444,521
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,522
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,523
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,524
type: atom chem shift
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1,4444,525
type: atom chem shift
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1,4444,526
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1,4444,527
type: atom chem shift
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1,4444,528
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.15

1,4444,529
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,530
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1,4444,531
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,533
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1,4444,534
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1,4444,535
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1,4444,536
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 536
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLY
atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 106.34
atom chem shift.val err: 0.1

1,4444,537
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 537
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 7.40
atom chem shift.val err: 0.02

1,4444,538
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 538
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atom chem shift.atom id: HA
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 4.95
atom chem shift.val err: 0.02

1,4444,539
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 539
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atom chem shift.atom id: HB2
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 2.15
atom chem shift.val err: 0.02

1,4444,540
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 540
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 3.08
atom chem shift.val err: 0.02

1,4444,541
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 541
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 6.61
atom chem shift.val err: 0.02

1,4444,542
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 542
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 6.61
atom chem shift.val err: 0.02

1,4444,543
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
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atom chem shift.val: 6.72
atom chem shift.val err: 0.02

1,4444,544
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 544
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 6.72
atom chem shift.val err: 0.02

1,4444,545
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 545
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 175.46
atom chem shift.val err: 0.15

1,4444,546
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 546
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 54.77
atom chem shift.val err: 0.15

1,4444,547
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 38.56
atom chem shift.val err: 0.15

1,4444,548
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 548
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: TYR
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 120.97
atom chem shift.val err: 0.1

1,4444,549
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 549
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 9.14
atom chem shift.val err: 0.02

1,4444,550
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 5.26
atom chem shift.val err: 0.02

1,4444,551
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.75
atom chem shift.val err: 0.02

1,4444,552
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 2.92
atom chem shift.val err: 0.02

1,4444,553
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 553
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 175.26
atom chem shift.val err: 0.15

1,4444,554
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 52.79
atom chem shift.val err: 0.15

1,4444,555
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 555
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 41.01
atom chem shift.val err: 0.15

1,4444,556
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 556
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 123.82
atom chem shift.val err: 0.1

1,4444,557
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 59
atom chem shift.val: 7.96
atom chem shift.val err: 0.02

1,4444,558
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.10
atom chem shift.val err: 0.02

1,4444,559
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.79
atom chem shift.val err: 0.02

1,4444,560
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.79
atom chem shift.val err: 0.02

1,4444,561
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 6.78
atom chem shift.val err: 0.02

1,4444,562
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.68
atom chem shift.val err: 0.02

1,4444,563
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.24
atom chem shift.val err: 0.02

1,4444,564
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,565
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,566
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,567
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 55.50
atom chem shift.val err: 0.15

1,4444,568
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 29.06
atom chem shift.val err: 0.15

1,4444,569
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 126.55
atom chem shift.val err: 0.1

1,4444,570
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,571
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,572
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,573
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,574
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,575
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.15

1,4444,576
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,577
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,578
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,579
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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1,4444,580
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,581
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 581
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: SER
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 171.03
atom chem shift.val err: 0.15

1,4444,582
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 582
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: SER
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 57.19
atom chem shift.val err: 0.15

1,4444,583
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 583
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: SER
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 69.16
atom chem shift.val err: 0.15

1,4444,584
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 584
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: SER
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 118.00
atom chem shift.val err: 0.1

1,4444,585
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 585
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 9.16
atom chem shift.val err: 0.02

1,4444,586
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 586
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 5.15
atom chem shift.val err: 0.02

1,4444,587
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 587
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 2.06
atom chem shift.val err: 0.02

1,4444,588
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 588
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
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atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 1.46
atom chem shift.val err: 0.02

1,4444,589
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 589
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
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atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 1.46
atom chem shift.val err: 0.02

1,4444,590
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 590
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 1.08
atom chem shift.val err: 0.02

1,4444,591
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 591
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 1.08
atom chem shift.val err: 0.02

1,4444,592
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 592
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
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atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 1.08
atom chem shift.val err: 0.02

1,4444,593
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 593
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD11
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atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 0.88
atom chem shift.val err: 0.02

1,4444,594
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 594
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD12
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 0.88
atom chem shift.val err: 0.02

1,4444,595
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 595
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD13
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atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 0.88
atom chem shift.val err: 0.02

1,4444,596
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 596
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.atom type: C
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 177.13
atom chem shift.val err: 0.15

1,4444,597
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 597
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 57.57
atom chem shift.val err: 0.15

1,4444,598
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 598
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 39.64
atom chem shift.val err: 0.15

1,4444,599
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 599
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
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atom chem shift.atom type: C
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 27.10
atom chem shift.val err: 0.15

1,4444,600
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 600
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
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atom chem shift.atom type: C
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 17.60
atom chem shift.val err: 0.15

1,4444,601
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 601
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
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atom chem shift.atom type: C
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atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 10.60
atom chem shift.val err: 0.15

1,4444,602
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 602
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 121.02
atom chem shift.val err: 0.1

1,4444,603
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 603
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 9.19
atom chem shift.val err: 0.02

1,4444,604
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 604
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 4.75
atom chem shift.val err: 0.02

1,4444,605
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 605
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 1.79
atom chem shift.val err: 0.02

1,4444,606
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 606
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 0.87
atom chem shift.val err: 0.02

1,4444,607
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 607
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 0.87
atom chem shift.val err: 0.02

1,4444,608
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 608
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 0.87
atom chem shift.val err: 0.02

1,4444,609
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 609
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 1.09
atom chem shift.val err: 0.02

1,4444,610
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 610
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
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atom chem shift.atom type: H
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atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 1.09
atom chem shift.val err: 0.02

1,4444,611
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 611
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 1.09
atom chem shift.val err: 0.02

1,4444,612
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 612
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 174.19
atom chem shift.val err: 0.15

1,4444,613
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 613
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 60.83
atom chem shift.val err: 0.15

1,4444,614
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 614
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 34.16
atom chem shift.val err: 0.15

1,4444,615
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 615
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 127.09
atom chem shift.val err: 0.1

1,4444,616
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 616
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
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atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 8.94
atom chem shift.val err: 0.02

1,4444,617
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 617
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 4.58
atom chem shift.val err: 0.02

1,4444,618
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 618
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 1.62
atom chem shift.val err: 0.02

1,4444,619
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 619
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 2.18
atom chem shift.val err: 0.02

1,4444,620
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 620
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 176.42
atom chem shift.val err: 0.15

1,4444,621
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 621
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.comp id: LYS
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 54.76
atom chem shift.val err: 0.15

1,4444,622
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 622
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.comp id: LYS
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 33.64
atom chem shift.val err: 0.15

1,4444,623
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 623
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: LYS
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 127.64
atom chem shift.val err: 0.1

1,4444,624
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 624
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 7.77
atom chem shift.val err: 0.02

1,4444,625
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 625
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 4.58
atom chem shift.val err: 0.02

1,4444,626
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 1.68
atom chem shift.val err: 0.02

1,4444,627
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,628
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,629
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,630
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 175.51
atom chem shift.val err: 0.15

1,4444,631
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,632
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val: 33.58
atom chem shift.val err: 0.15

1,4444,633
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 119.50
atom chem shift.val err: 0.1

1,4444,634
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,635
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,636
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.80
atom chem shift.val err: 0.02

1,4444,637
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 171.60
atom chem shift.val err: 0.15

1,4444,638
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 44.91
atom chem shift.val err: 0.15

1,4444,639
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 112.64
atom chem shift.val err: 0.1

1,4444,640
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 6.34
atom chem shift.val err: 0.02

1,4444,641
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,642
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,643
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,644
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,645
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,646
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.15

1,4444,647
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.15

1,4444,648
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,649
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.1

1,4444,650
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,651
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,652
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,653
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of datablock: info:bmrb/4444
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1,4444,654
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,655
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,656
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,657
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,658
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,659
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1,4444,660
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of datablock: info:bmrb/4444
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1,4444,661
type: atom chem shift
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1,4444,662
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,663
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,664
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,665
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1,4444,666
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1,4444,667
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of datablock: info:bmrb/4444
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1,4444,668
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1,4444,670
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atom chem shift.val err: 0.02

1,4444,671
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 671
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atom chem shift.atom type: C
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atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 175.83
atom chem shift.val err: 0.15

1,4444,672
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 672
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 53.73
atom chem shift.val err: 0.15

1,4444,673
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 673
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 42.28
atom chem shift.val err: 0.15

1,4444,674
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 674
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.atom type: N
atom chem shift.comp id: ASP
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 128.92
atom chem shift.val err: 0.1

1,4444,675
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 675
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 9.11
atom chem shift.val err: 0.02

1,4444,676
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 676
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 5.45
atom chem shift.val err: 0.02

1,4444,677
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 677
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 2.25
atom chem shift.val err: 0.02

1,4444,678
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 678
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 2.25
atom chem shift.val err: 0.02

1,4444,679
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 679
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 176.34
atom chem shift.val err: 0.15

1,4444,680
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 680
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 54.85
atom chem shift.val err: 0.15

1,4444,681
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 681
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
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atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 36.91
atom chem shift.val err: 0.15

1,4444,682
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 682
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: MET
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 122.04
atom chem shift.val err: 0.1

1,4444,683
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 683
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 7.87
atom chem shift.val err: 0.02

1,4444,684
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 684
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 4.73
atom chem shift.val err: 0.02

1,4444,685
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 2.65
atom chem shift.val err: 0.02

1,4444,686
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 686
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 2.99
atom chem shift.val err: 0.02

1,4444,687
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 687
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 174.45
atom chem shift.val err: 0.15

1,4444,688
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 688
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atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 54.83
atom chem shift.val err: 0.15

1,4444,689
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 689
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 41.17
atom chem shift.val err: 0.15

1,4444,690
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 690
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 122.20
atom chem shift.val err: 0.1

1,4444,691
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 691
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 8.21
atom chem shift.val err: 0.02

1,4444,692
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.29
atom chem shift.val err: 0.02

1,4444,693
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.41
atom chem shift.val err: 0.02

1,4444,694
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.41
atom chem shift.val err: 0.02

1,4444,695
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 695
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 175.35
atom chem shift.val err: 0.15

1,4444,696
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 696
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atom chem shift.entity id: 1
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atom chem shift.val: 57.24
atom chem shift.val err: 0.15

1,4444,697
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 697
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atom chem shift.seq id: 84
atom chem shift.val: 31.76
atom chem shift.val err: 0.15

1,4444,698
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 698
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atom chem shift.comp index id: 84
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 117.98
atom chem shift.val err: 0.1

1,4444,699
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 699
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 8.36
atom chem shift.val err: 0.02

1,4444,700
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 4.68
atom chem shift.val err: 0.02

1,4444,701
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.08
atom chem shift.val err: 0.02

1,4444,702
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,703
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
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atom chem shift.val: 175.35
atom chem shift.val err: 0.15

1,4444,704
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
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atom chem shift.val: 54.95
atom chem shift.val err: 0.15

1,4444,705
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 29.13
atom chem shift.val err: 0.15

1,4444,706
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 706
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 120.30
atom chem shift.val err: 0.1

1,4444,707
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,708
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,709
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,710
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 119.29
atom chem shift.val err: 0.1

1,4444,711
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,712
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val: 174.94
atom chem shift.val err: 0.15

1,4444,713
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val: 59.06
atom chem shift.val err: 0.15

1,4444,714
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,715
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.seq id: 88
atom chem shift.val: 4.74
atom chem shift.val err: 0.02

1,4444,716
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 716
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 178.09
atom chem shift.val err: 0.15

1,4444,717
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 717
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 53.49
atom chem shift.val err: 0.15

1,4444,718
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 718
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 43.40
atom chem shift.val err: 0.15

1,4444,719
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 719
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: LEU
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 126.54
atom chem shift.val err: 0.1

1,4444,720
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 720
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: SER
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 9.39
atom chem shift.val err: 0.02

1,4444,721
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 721
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: SER
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 4.54
atom chem shift.val err: 0.02

1,4444,722
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 722
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: SER
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 4.04
atom chem shift.val err: 0.02

1,4444,723
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 723
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: SER
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 4.04
atom chem shift.val err: 0.02

1,4444,724
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 724
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: SER
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 174.71
atom chem shift.val err: 0.15

1,4444,725
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 725
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: SER
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 57.05
atom chem shift.val err: 0.15

1,4444,726
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 726
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: SER
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 65.66
atom chem shift.val err: 0.15

1,4444,727
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 727
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: SER
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 122.06
atom chem shift.val err: 0.1

1,4444,728
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 728
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 9.01
atom chem shift.val err: 0.02

1,4444,729
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 729
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 4.45
atom chem shift.val err: 0.02

1,4444,730
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 730
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 2.66
atom chem shift.val err: 0.02

1,4444,731
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 731
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 2.76
atom chem shift.val err: 0.02

1,4444,732
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 732
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 178.20
atom chem shift.val err: 0.15

1,4444,733
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 733
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 57.65
atom chem shift.val err: 0.15

1,4444,734
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 734
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 39.63
atom chem shift.val err: 0.15

1,4444,735
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 735
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASP
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 122.03
atom chem shift.val err: 0.1

1,4444,736
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 736
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 8.59
atom chem shift.val err: 0.02

1,4444,737
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 737
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 4.10
atom chem shift.val err: 0.02

1,4444,738
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 738
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 1.93
atom chem shift.val err: 0.02

1,4444,739
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 739
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 1.93
atom chem shift.val err: 0.02

1,4444,740
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 740
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 2.11
atom chem shift.val err: 0.02

1,4444,741
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 741
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 2.11
atom chem shift.val err: 0.02

1,4444,742
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 742
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 179.82
atom chem shift.val err: 0.15

1,4444,743
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 743
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 59.81
atom chem shift.val err: 0.15

1,4444,744
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 744
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 29.65
atom chem shift.val err: 0.15

1,4444,745
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 745
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLU
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 119.86
atom chem shift.val err: 0.1

1,4444,746
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 746
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 8.08
atom chem shift.val err: 0.02

1,4444,747
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 747
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 3.70
atom chem shift.val err: 0.02

1,4444,748
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 748
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 1.72
atom chem shift.val err: 0.02

1,4444,749
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 749
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 1.72
atom chem shift.val err: 0.02

1,4444,750
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 750
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 177.68
atom chem shift.val err: 0.15

1,4444,751
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 751
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 59.63
atom chem shift.val err: 0.15

1,4444,752
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 752
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 28.88
atom chem shift.val err: 0.15

1,4444,753
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 753
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 121.74
atom chem shift.val err: 0.1

1,4444,754
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 754
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 8.01
atom chem shift.val err: 0.02

1,4444,755
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 755
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 3.96
atom chem shift.val err: 0.02

1,4444,756
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 756
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 2.25
atom chem shift.val err: 0.02

1,4444,757
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 757
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 0.99
atom chem shift.val err: 0.02

1,4444,758
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 758
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 0.99
atom chem shift.val err: 0.02

1,4444,759
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 759
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 0.99
atom chem shift.val err: 0.02

1,4444,760
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 760
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 1.08
atom chem shift.val err: 0.02

1,4444,761
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 761
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 1.08
atom chem shift.val err: 0.02

1,4444,762
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 762
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 1.08
atom chem shift.val err: 0.02

1,4444,763
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 763
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 179.68
atom chem shift.val err: 0.15

1,4444,764
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 764
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 66.29
atom chem shift.val err: 0.15

1,4444,765
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 765
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 33.35
atom chem shift.val err: 0.15

1,4444,766
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 766
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: VAL
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 117.64
atom chem shift.val err: 0.1

1,4444,767
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 767
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 9.21
atom chem shift.val err: 0.02

1,4444,768
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 768
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 4.28
atom chem shift.val err: 0.02

1,4444,769
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 769
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 2.19
atom chem shift.val err: 0.02

1,4444,770
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 770
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 2.19
atom chem shift.val err: 0.02

1,4444,771
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 771
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 177.74
atom chem shift.val err: 0.15

1,4444,772
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 772
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 59.35
atom chem shift.val err: 0.15

1,4444,773
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 773
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 30.94
atom chem shift.val err: 0.15

1,4444,774
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 774
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLU
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 117.75
atom chem shift.val err: 0.1

1,4444,775
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 775
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 8.48
atom chem shift.val err: 0.02

1,4444,776
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 776
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 4.68
atom chem shift.val err: 0.02

1,4444,777
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 777
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 178.14
atom chem shift.val err: 0.15

1,4444,778
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 778
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 57.19
atom chem shift.val err: 0.15

1,4444,779
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 779
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 30.81
atom chem shift.val err: 0.15

1,4444,780
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 780
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLU
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 115.57
atom chem shift.val err: 0.1

1,4444,781
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 781
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LYS
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 7.38
atom chem shift.val err: 0.02

1,4444,782
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 782
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LYS
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 4.53
atom chem shift.val err: 0.02

1,4444,783
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 783
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LYS
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 2.28
atom chem shift.val err: 0.02

1,4444,784
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 784
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LYS
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 2.28
atom chem shift.val err: 0.02

1,4444,785
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 785
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LYS
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 175.12
atom chem shift.val err: 0.15

1,4444,786
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 786
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LYS
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 56.24
atom chem shift.val err: 0.15

1,4444,787
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 787
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LYS
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 32.65
atom chem shift.val err: 0.15

1,4444,788
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 788
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: LYS
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 115.68
atom chem shift.val err: 0.1

1,4444,789
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 789
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 6.90
atom chem shift.val err: 0.02

1,4444,790
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 790
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 4.40
atom chem shift.val err: 0.02

1,4444,791
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 791
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 3.19
atom chem shift.val err: 0.02

1,4444,792
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 792
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 3.46
atom chem shift.val err: 0.02

1,4444,793
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 793
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 174.70
atom chem shift.val err: 0.15

1,4444,794
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 794
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 56.27
atom chem shift.val err: 0.15

1,4444,795
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 795
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 39.16
atom chem shift.val err: 0.15

1,4444,796
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 796
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASP
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 111.47
atom chem shift.val err: 0.1

1,4444,797
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 797
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 8.31
atom chem shift.val err: 0.02

1,4444,798
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 798
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 4.62
atom chem shift.val err: 0.02

1,4444,799
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 799
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 1.76
atom chem shift.val err: 0.02

1,4444,800
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 800
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 0.98
atom chem shift.val err: 0.02

1,4444,801
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 801
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 0.98
atom chem shift.val err: 0.02

1,4444,802
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 802
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 0.98
atom chem shift.val err: 0.02

1,4444,803
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 803
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 1.13
atom chem shift.val err: 0.02

1,4444,804
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 804
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 1.13
atom chem shift.val err: 0.02

1,4444,805
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 805
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 1.13
atom chem shift.val err: 0.02

1,4444,806
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 806
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 177.87
atom chem shift.val err: 0.15

1,4444,807
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 807
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 63.09
atom chem shift.val err: 0.15

1,4444,808
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 808
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 31.68
atom chem shift.val err: 0.15

1,4444,809
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 809
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: VAL
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 118.00
atom chem shift.val err: 0.1

1,4444,810
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 810
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 9.32
atom chem shift.val err: 0.02

1,4444,811
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 811
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atom chem shift.atom id: HA
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 4.91
atom chem shift.val err: 0.02

1,4444,812
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 812
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
atom chem shift.comp id: ARG
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 52.30
atom chem shift.val err: 0.15

1,4444,813
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 813
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ARG
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 33.48
atom chem shift.val err: 0.15

1,4444,814
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 814
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ARG
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 124.29
atom chem shift.val err: 0.1

1,4444,815
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 815
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
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atom chem shift.atom type: H
atom chem shift.comp id: GLY
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 5.50
atom chem shift.val err: 0.02

1,4444,816
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 816
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
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atom chem shift.atom type: H
atom chem shift.comp id: GLY
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 3.47
atom chem shift.val err: 0.02

1,4444,817
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 817
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLY
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 171.56
atom chem shift.val err: 0.15

1,4444,818
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 818
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLY
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 44.85
atom chem shift.val err: 0.15

1,4444,819
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 819
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.comp id: SER
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 9.24
atom chem shift.val err: 0.02

1,4444,820
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 820
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 5.64
atom chem shift.val err: 0.02

1,4444,821
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 821
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 3.61
atom chem shift.val err: 0.02

1,4444,822
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 822
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.comp id: SER
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 3.73
atom chem shift.val err: 0.02

1,4444,823
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 823
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.comp id: SER
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 54.69
atom chem shift.val err: 0.15

1,4444,824
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 824
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
atom chem shift.comp id: SER
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 66.04
atom chem shift.val err: 0.15

1,4444,825
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 825
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: SER
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 121.89
atom chem shift.val err: 0.1

1,4444,826
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 826
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
atom chem shift.comp id: PRO
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 4.44
atom chem shift.val err: 0.02

1,4444,827
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 827
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
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atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 2.04
atom chem shift.val err: 0.02

1,4444,828
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 828
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.atom type: H
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atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 2.04
atom chem shift.val err: 0.02

1,4444,829
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 829
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.atom type: C
atom chem shift.comp id: PRO
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 176.14
atom chem shift.val err: 0.15

1,4444,830
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 830
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
atom chem shift.comp id: PRO
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 64.19
atom chem shift.val err: 0.15

1,4444,831
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 831
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
atom chem shift.comp id: PRO
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 32.62
atom chem shift.val err: 0.15

1,4444,832
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 832
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 8.75
atom chem shift.val err: 0.02

1,4444,833
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 833
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 4.77
atom chem shift.val err: 0.02

1,4444,834
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 834
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
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atom chem shift.atom type: H
atom chem shift.comp id: ALA
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 1.18
atom chem shift.val err: 0.02

1,4444,835
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 835
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 1.18
atom chem shift.val err: 0.02

1,4444,836
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 836
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 1.18
atom chem shift.val err: 0.02

1,4444,837
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 837
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.comp id: ALA
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 175.10
atom chem shift.val err: 0.15

1,4444,838
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 838
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 50.64
atom chem shift.val err: 0.15

1,4444,839
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 839
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.comp id: ALA
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 20.09
atom chem shift.val err: 0.15

1,4444,840
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 840
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.atom type: N
atom chem shift.comp id: ALA
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 127.87
atom chem shift.val err: 0.1

1,4444,841
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 841
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
atom chem shift.comp id: ALA
atom chem shift.comp index id: 108
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 108
atom chem shift.val: 7.54
atom chem shift.val err: 0.02

1,4444,842
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 108
atom chem shift.val: 4.57
atom chem shift.val err: 0.02

1,4444,843
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 108
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atom chem shift.val err: 0.02

1,4444,844
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,845
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val err: 0.02

1,4444,846
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
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atom chem shift.val err: 0.15

1,4444,847
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
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atom chem shift.val err: 0.15

1,4444,848
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,849
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 849
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 108
atom chem shift.val: 120.17
atom chem shift.val err: 0.1

1,4444,850
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 8.50
atom chem shift.val err: 0.02

1,4444,851
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 851
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 4.38
atom chem shift.val err: 0.02

1,4444,852
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 852
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 2.72
atom chem shift.val err: 0.02

1,4444,853
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 853
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 2.72
atom chem shift.val err: 0.02

1,4444,854
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 854
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 176.37
atom chem shift.val err: 0.15

1,4444,855
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 855
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 57.72
atom chem shift.val err: 0.15

1,4444,856
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 856
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 41.29
atom chem shift.val err: 0.15

1,4444,857
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 857
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 117.22
atom chem shift.val err: 0.1

1,4444,858
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 858
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 7.56
atom chem shift.val err: 0.02

1,4444,859
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 859
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 5.04
atom chem shift.val err: 0.02

1,4444,860
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 860
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 1.91
atom chem shift.val err: 0.02

1,4444,861
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 861
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 1.91
atom chem shift.val err: 0.02

1,4444,862
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 862
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 2.11
atom chem shift.val err: 0.02

1,4444,863
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 863
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
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atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 2.19
atom chem shift.val err: 0.02

1,4444,864
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 864
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 174.69
atom chem shift.val err: 0.15

1,4444,865
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 865
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 55.56
atom chem shift.val err: 0.15

1,4444,866
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 866
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
atom chem shift.comp id: GLU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 32.14
atom chem shift.val err: 0.15

1,4444,867
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 867
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 117.21
atom chem shift.val err: 0.1

1,4444,868
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 868
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 8.70
atom chem shift.val err: 0.02

1,4444,869
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 869
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 4.71
atom chem shift.val err: 0.02

1,4444,870
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 870
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
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atom chem shift.atom type: H
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atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 111
atom chem shift.val: 2.05
atom chem shift.val err: 0.02

1,4444,871
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 871
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.09
atom chem shift.val err: 0.02

1,4444,872
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 872
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 1.09
atom chem shift.val err: 0.02

1,4444,873
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 873
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 1.09
atom chem shift.val err: 0.02

1,4444,874
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 874
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 1.02
atom chem shift.val err: 0.02

1,4444,875
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 875
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atom chem shift.atom id: HG22
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 1.02
atom chem shift.val err: 0.02

1,4444,876
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 876
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atom chem shift.entity assembly id: 1
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atom chem shift.val err: 0.02

1,4444,877
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 877
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 175.04
atom chem shift.val err: 0.15

1,4444,878
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 878
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 59.81
atom chem shift.val err: 0.15

1,4444,879
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 879
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
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atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 36.12
atom chem shift.val err: 0.15

1,4444,880
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 880
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
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atom chem shift.atom type: C
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 23.00
atom chem shift.val err: 0.15

1,4444,881
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 881
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
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atom chem shift.comp id: VAL
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 22.40
atom chem shift.val err: 0.15

1,4444,882
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 882
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: VAL
atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 124.49
atom chem shift.val err: 0.1

1,4444,883
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 883
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 8.52
atom chem shift.val err: 0.02

1,4444,884
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 884
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 5.67
atom chem shift.val err: 0.02

1,4444,885
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 885
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.11
atom chem shift.val err: 0.02

1,4444,886
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 886
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
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atom chem shift.val err: 0.02

1,4444,887
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 887
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.comp id: LYS
atom chem shift.comp index id: 112
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 176.65
atom chem shift.val err: 0.15

1,4444,888
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 888
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 55.04
atom chem shift.val err: 0.15

1,4444,889
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 889
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.comp id: LYS
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 34.63
atom chem shift.val err: 0.15

1,4444,890
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 890
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.comp id: LYS
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 126.40
atom chem shift.val err: 0.1

1,4444,891
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 9.53
atom chem shift.val err: 0.02

1,4444,892
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 5.78
atom chem shift.val err: 0.02

1,4444,893
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.78
atom chem shift.val err: 0.02

1,4444,894
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 894
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atom chem shift.atom type: H
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 1.22
atom chem shift.val err: 0.02

1,4444,895
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.entry id: 4444
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atom chem shift.atom id: HG13
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atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 1.84
atom chem shift.val err: 0.02

1,4444,896
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 896
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
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atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 0.95
atom chem shift.val err: 0.02

1,4444,897
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 897
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 0.95
atom chem shift.val err: 0.02

1,4444,898
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 898
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 0.95
atom chem shift.val err: 0.02

1,4444,899
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 899
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD11
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atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 1.03
atom chem shift.val err: 0.02

1,4444,900
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 900
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD12
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 1.03
atom chem shift.val err: 0.02

1,4444,901
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 901
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD13
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atom chem shift.atom type: H
atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 1.03
atom chem shift.val err: 0.02

1,4444,902
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 902
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 174.47
atom chem shift.val err: 0.15

1,4444,903
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 903
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 58.64
atom chem shift.val err: 0.15

1,4444,904
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 904
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 43.16
atom chem shift.val err: 0.15

1,4444,905
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 905
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 19.04
atom chem shift.val err: 0.15

1,4444,906
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 906
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
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atom chem shift.atom type: C
atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 14.11
atom chem shift.val err: 0.15

1,4444,907
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 907
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ILE
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 116.24
atom chem shift.val err: 0.1

1,4444,908
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 908
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 9.29
atom chem shift.val err: 0.02

1,4444,909
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 909
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 5.55
atom chem shift.val err: 0.02

1,4444,910
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 910
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 2.20
atom chem shift.val err: 0.02

1,4444,911
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 911
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 1.11
atom chem shift.val err: 0.02

1,4444,912
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 912
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 1.11
atom chem shift.val err: 0.02

1,4444,913
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 913
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 1.11
atom chem shift.val err: 0.02

1,4444,914
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 914
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 1.22
atom chem shift.val err: 0.02

1,4444,915
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 915
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 1.22
atom chem shift.val err: 0.02

1,4444,916
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 916
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 1.22
atom chem shift.val err: 0.02

1,4444,917
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 917
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 177.50
atom chem shift.val err: 0.15

1,4444,918
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 918
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 61.10
atom chem shift.val err: 0.15

1,4444,919
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 919
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 32.92
atom chem shift.val err: 0.15

1,4444,920
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 920
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
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atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 21.30
atom chem shift.val err: 0.15

1,4444,921
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 921
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
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atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 22.00
atom chem shift.val err: 0.15

1,4444,922
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 922
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 124.33
atom chem shift.val err: 0.1

1,4444,923
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 923
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 8.92
atom chem shift.val err: 0.02

1,4444,924
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 924
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 4.82
atom chem shift.val err: 0.02

1,4444,925
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 925
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 3.24
atom chem shift.val err: 0.02

1,4444,926
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 926
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 3.24
atom chem shift.val err: 0.02

1,4444,927
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 927
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 6.29
atom chem shift.val err: 0.02

1,4444,928
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 928
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
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atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 6.29
atom chem shift.val err: 0.02

1,4444,929
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 929
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 6.39
atom chem shift.val err: 0.02

1,4444,930
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 930
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 6.39
atom chem shift.val err: 0.02

1,4444,931
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 931
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 173.17
atom chem shift.val err: 0.15

1,4444,932
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 932
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 55.28
atom chem shift.val err: 0.15

1,4444,933
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 933
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 38.13
atom chem shift.val err: 0.15

1,4444,934
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 934
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: TYR
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 128.93
atom chem shift.val err: 0.1

1,4444,935
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 935
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 9.74
atom chem shift.val err: 0.02

1,4444,936
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 936
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 5.22
atom chem shift.val err: 0.02

1,4444,937
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 937
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 1.89
atom chem shift.val err: 0.02

1,4444,938
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 938
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 3.38
atom chem shift.val err: 0.02

1,4444,939
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 939
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD21
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atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 6.63
atom chem shift.val err: 0.02

1,4444,940
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 940
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 116
atom chem shift.val: 7.69
atom chem shift.val err: 0.02

1,4444,941
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 175.43
atom chem shift.val err: 0.15

1,4444,942
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 942
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 53.31
atom chem shift.val err: 0.15

1,4444,943
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 943
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 37.70
atom chem shift.val err: 0.15

1,4444,944
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 944
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 120.72
atom chem shift.val err: 0.1

1,4444,945
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 945
atom chem shift.assembly atom id: 0
atom chem shift.atom id: ND2
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 107.29
atom chem shift.val err: 0.1

1,4444,946
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 946
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 117
atom chem shift.val: 7.02
atom chem shift.val err: 0.02

1,4444,947
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 117
atom chem shift.val: 3.55
atom chem shift.val err: 0.02

1,4444,948
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 948
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.00
atom chem shift.val err: 0.02

1,4444,949
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.00
atom chem shift.val err: 0.02

1,4444,950
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.00
atom chem shift.val err: 0.02

1,4444,951
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 117
atom chem shift.val: 175.74
atom chem shift.val err: 0.15

1,4444,952
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 952
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 52.32
atom chem shift.val err: 0.15

1,4444,953
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 953
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 17.45
atom chem shift.val err: 0.15

1,4444,954
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 954
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 115.11
atom chem shift.val err: 0.1

1,4444,955
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.82
atom chem shift.val err: 0.02

1,4444,956
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.57
atom chem shift.val err: 0.02

1,4444,957
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,958
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,959
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,960
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,961
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.22
atom chem shift.val err: 0.02

1,4444,962
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,963
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.02

1,4444,964
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 964
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atom chem shift.val err: 0.02

1,4444,965
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.79
atom chem shift.val err: 0.02

1,4444,966
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 173.85
atom chem shift.val err: 0.15

1,4444,967
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 57.97
atom chem shift.val err: 0.15

1,4444,968
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 30.43
atom chem shift.val err: 0.15

1,4444,969
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 22.13
atom chem shift.val err: 0.15

1,4444,970
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 31.27
atom chem shift.val err: 0.15

1,4444,971
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 41.75
atom chem shift.val err: 0.15

1,4444,972
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 972
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atom chem shift.val err: 0.1

1,4444,973
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
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atom chem shift.val: 126.40
atom chem shift.val err: 0.1

1,4444,974
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4444,975
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4444,976
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4444,977
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.15

1,4444,978
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.15

1,4444,979
type: atom chem shift
of datablock: info:bmrb/4444
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1,4444,980
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,981
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,982
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,983
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.val err: 0.02

1,4444,984
type: atom chem shift
of datablock: info:bmrb/4444
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 119
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 119
atom chem shift.val: 8.16
atom chem shift.val err: 0.02

1,4444,985
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 985
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: HIS
atom chem shift.comp index id: 119
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 119
atom chem shift.val: 175.75
atom chem shift.val err: 0.15

1,4444,986
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 986
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: HIS
atom chem shift.comp index id: 119
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 119
atom chem shift.val: 57.14
atom chem shift.val err: 0.15

1,4444,987
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 987
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: HIS
atom chem shift.comp index id: 119
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 119
atom chem shift.val: 31.15
atom chem shift.val err: 0.15

1,4444,988
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 988
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: HIS
atom chem shift.comp index id: 119
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 119
atom chem shift.val: 114.22
atom chem shift.val err: 0.1

1,4444,989
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 989
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 120
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 120
atom chem shift.val: 7.72
atom chem shift.val err: 0.02

1,4444,990
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 990
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 120
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 120
atom chem shift.val: 3.91
atom chem shift.val err: 0.02

1,4444,991
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 991
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 120
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 120
atom chem shift.val: 0.62
atom chem shift.val err: 0.02

1,4444,992
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 992
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 120
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 120
atom chem shift.val: 0.62
atom chem shift.val err: 0.02

1,4444,993
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 993
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 120
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 120
atom chem shift.val: 178.99
atom chem shift.val err: 0.15

1,4444,994
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 994
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 120
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 120
atom chem shift.val: 55.88
atom chem shift.val err: 0.15

1,4444,995
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 995
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 120
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 120
atom chem shift.val: 41.74
atom chem shift.val err: 0.15

1,4444,996
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 996
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: LEU
atom chem shift.comp index id: 120
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 120
atom chem shift.val: 123.76
atom chem shift.val err: 0.1

1,4444,997
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 997
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 121
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 121
atom chem shift.val: 8.79
atom chem shift.val err: 0.02

1,4444,998
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 998
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 121
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 121
atom chem shift.val: 4.06
atom chem shift.val err: 0.02

1,4444,999
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 999
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 121
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 121
atom chem shift.val: 2.82
atom chem shift.val err: 0.02

1,4444,1000
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1000
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASP
atom chem shift.comp index id: 121
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 121
atom chem shift.val: 2.82
atom chem shift.val err: 0.02

1,4444,1001
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1001
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 121
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 121
atom chem shift.val: 179.29
atom chem shift.val err: 0.15

1,4444,1002
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1002
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 121
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 121
atom chem shift.val: 57.65
atom chem shift.val err: 0.15

1,4444,1003
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1003
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASP
atom chem shift.comp index id: 121
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 121
atom chem shift.val: 39.74
atom chem shift.val err: 0.15

1,4444,1004
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1004
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASP
atom chem shift.comp index id: 121
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 121
atom chem shift.val: 123.48
atom chem shift.val err: 0.1

1,4444,1005
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1005
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 7.83
atom chem shift.val err: 0.02

1,4444,1006
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1006
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 4.47
atom chem shift.val err: 0.02

1,4444,1007
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1007
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 2.93
atom chem shift.val err: 0.02

1,4444,1008
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1008
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 3.31
atom chem shift.val err: 0.02

1,4444,1009
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1009
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 7.13
atom chem shift.val err: 0.02

1,4444,1010
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1010
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 7.13
atom chem shift.val err: 0.02

1,4444,1011
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1011
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 6.69
atom chem shift.val err: 0.02

1,4444,1012
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1012
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 6.69
atom chem shift.val err: 0.02

1,4444,1013
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1013
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 175.84
atom chem shift.val err: 0.15

1,4444,1014
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1014
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 58.10
atom chem shift.val err: 0.15

1,4444,1015
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1015
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 36.79
atom chem shift.val err: 0.15

1,4444,1016
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1016
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: TYR
atom chem shift.comp index id: 122
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 122
atom chem shift.val: 114.68
atom chem shift.val err: 0.1

1,4444,1017
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1017
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 6.97
atom chem shift.val err: 0.02

1,4444,1018
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1018
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 4.35
atom chem shift.val err: 0.02

1,4444,1019
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1019
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 1.11
atom chem shift.val err: 0.02

1,4444,1020
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1020
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 1.47
atom chem shift.val err: 0.02

1,4444,1021
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1021
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 0.87
atom chem shift.val err: 0.02

1,4444,1022
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1022
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 0.49
atom chem shift.val err: 0.02

1,4444,1023
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1023
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 0.49
atom chem shift.val err: 0.02

1,4444,1024
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1024
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 0.49
atom chem shift.val err: 0.02

1,4444,1025
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1025
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 0.67
atom chem shift.val err: 0.02

1,4444,1026
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1026
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 0.67
atom chem shift.val err: 0.02

1,4444,1027
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1027
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 0.67
atom chem shift.val err: 0.02

1,4444,1028
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1028
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 177.89
atom chem shift.val err: 0.15

1,4444,1029
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1029
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 55.35
atom chem shift.val err: 0.15

1,4444,1030
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1030
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 42.23
atom chem shift.val err: 0.15

1,4444,1031
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1031
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 22.05
atom chem shift.val err: 0.15

1,4444,1032
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1032
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 26.00
atom chem shift.val err: 0.15

1,4444,1033
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1033
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: LEU
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 120.28
atom chem shift.val err: 0.1

1,4444,1034
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1034
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLN
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 124
atom chem shift.val: 7.12
atom chem shift.val err: 0.02

1,4444,1035
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1035
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLN
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 124
atom chem shift.val: 3.74
atom chem shift.val err: 0.02

1,4444,1036
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1036
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLN
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 124
atom chem shift.val: 2.10
atom chem shift.val err: 0.02

1,4444,1037
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1037
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLN
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 124
atom chem shift.val: 2.10
atom chem shift.val err: 0.02

1,4444,1038
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1038
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLN
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 124
atom chem shift.val: 2.46
atom chem shift.val err: 0.02

1,4444,1039
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1039
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: GLN
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 124
atom chem shift.val: 2.46
atom chem shift.val err: 0.02

1,4444,1040
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1040
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLN
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 124
atom chem shift.val: 177.10
atom chem shift.val err: 0.15

1,4444,1041
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1041
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLN
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 124
atom chem shift.val: 59.38
atom chem shift.val err: 0.15

1,4444,1042
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1042
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLN
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 124
atom chem shift.val: 29.26
atom chem shift.val err: 0.15

1,4444,1043
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1043
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: GLN
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 124
atom chem shift.val: 117.08
atom chem shift.val err: 0.1

1,4444,1044
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1044
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 8.39
atom chem shift.val err: 0.02

1,4444,1045
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1045
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 4.48
atom chem shift.val err: 0.02

1,4444,1046
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1046
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 2.95
atom chem shift.val err: 0.02

1,4444,1047
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1047
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 3.11
atom chem shift.val err: 0.02

1,4444,1048
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1048
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 7.05
atom chem shift.val err: 0.02

1,4444,1049
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1049
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 7.65
atom chem shift.val err: 0.02

1,4444,1050
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1050
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASN
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 176.45
atom chem shift.val err: 0.15

1,4444,1051
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1051
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASN
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 54.86
atom chem shift.val err: 0.15

1,4444,1052
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1052
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ASN
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 36.35
atom chem shift.val err: 0.15

1,4444,1053
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1053
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASN
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 116.94
atom chem shift.val err: 0.1

1,4444,1054
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1054
atom chem shift.assembly atom id: 0
atom chem shift.atom id: ND2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ASN
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 112.31
atom chem shift.val err: 0.1

1,4444,1055
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1055
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
atom chem shift.comp index id: 126
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 126
atom chem shift.val: 7.94
atom chem shift.val err: 0.02

1,4444,1056
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1056
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
atom chem shift.comp index id: 126
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 126
atom chem shift.val: 4.51
atom chem shift.val err: 0.02

1,4444,1057
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1057
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ARG
atom chem shift.comp index id: 126
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 126
atom chem shift.val: 175.33
atom chem shift.val err: 0.15

1,4444,1058
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1058
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ARG
atom chem shift.comp index id: 126
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 126
atom chem shift.val: 55.45
atom chem shift.val err: 0.15

1,4444,1059
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1059
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: ARG
atom chem shift.comp index id: 126
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 126
atom chem shift.val: 31.90
atom chem shift.val err: 0.15

1,4444,1060
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1060
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ARG
atom chem shift.comp index id: 126
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 126
atom chem shift.val: 121.58
atom chem shift.val err: 0.1

1,4444,1061
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1061
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 7.27
atom chem shift.val err: 0.02

1,4444,1062
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1062
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 4.17
atom chem shift.val err: 0.02

1,4444,1063
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1063
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 62.65
atom chem shift.val err: 0.15

1,4444,1064
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1064
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 32.29
atom chem shift.val err: 0.15

1,4444,1065
type: atom chem shift
of datablock: info:bmrb/4444
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4444
atom chem shift.id: 1065
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: VAL
atom chem shift.comp index id: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 125.84
atom chem shift.val err: 0.1

1,4444,1
type: bond
of datablock: info:bmrb/4444
bond.assembly id: 1
bond.entry id: 4444
bond.id: 1
bond.atom id 1: SG
bond.atom id 2: FE
bond.comp id 1: CYS
bond.comp id 2: FES
bond.comp index id 1: 63
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 63
bond.seq id 2: 1
bond.type: metal coordination
bond.value order: sing

1,4444,2
type: bond
of datablock: info:bmrb/4444
bond.assembly id: 1
bond.entry id: 4444
bond.id: 2
bond.atom id 1: SG
bond.atom id 2: FE
bond.comp id 1: CYS
bond.comp id 2: FES
bond.comp index id 1: 68
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 68
bond.seq id 2: 1
bond.type: metal coordination
bond.value order: sing

1,4444,3
type: bond
of datablock: info:bmrb/4444
bond.assembly id: 1
bond.entry id: 4444
bond.id: 3
bond.atom id 1: SG
bond.atom id 2: FE
bond.comp id 1: CYS
bond.comp id 2: FES
bond.comp index id 1: 71
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 71
bond.seq id 2: 1
bond.type: metal coordination
bond.value order: sing

1,4444,4
type: bond
of datablock: info:bmrb/4444
bond.assembly id: 1
bond.entry id: 4444
bond.id: 4
bond.atom id 1: SG
bond.atom id 2: FE
bond.comp id 1: CYS
bond.comp id 2: FES
bond.comp index id 1: 102
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 102
bond.seq id 2: 1
bond.type: metal coordination
bond.value order: sing

4444,ALY
type: chem comp
of datablock: info:bmrb/4444
reference to entry: entry
chem comp.entry id: 4444
chem comp.id: ALY
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 10:13:56 2011
chem comp.formal charge: 0
chem comp.formula: C8 H16 N2 O3
chem comp.formula weight: 188.224
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 2000-08-17Z
chem comp.model coordinates db code: 1E6I
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.mon nstd parent comp id: LYS
chem comp.name: N(6)-ACETYLLYSINE
chem comp.one letter code: K
chem comp.pdb code: ALY
chem comp.processing site: PDBE
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_ALY
chem comp.three letter code: ALY
chem comp.type: L-PEPTIDE LINKING

info:pdb-ccd/ALY

pdb-ccd:ALY

info:pdb.ligand/ALY

pdb.ligand:ALY

4444,FES
type: chem comp
of datablock: info:bmrb/4444
reference to entry: entry
chem comp.entry id: 4444
chem comp.id: FES
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 10:04:10 2011
chem comp.formal charge: 0
chem comp.formula: Fe2 S2
chem comp.formula weight: 175.820
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 1CZP
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.name: FE2/S2 (INORGANIC) CLUSTER
chem comp.pdb code: FES
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_FES
chem comp.three letter code: FES
chem comp.type: NON-POLYMER

info:pdb-ccd/FES

pdb-ccd:FES

info:pdb.ligand/FES

pdb.ligand:FES

OH,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: OH
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 9.990
chem comp atom.model cartn x ideal: 1.006
chem comp atom.model cartn y: 20.290
chem comp atom.model cartn y ideal: -0.557
chem comp atom.model cartn z: -7.423
chem comp atom.model cartn z ideal: 4.738
chem comp atom.pdb atom id: OH
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: O

CH,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: CH
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.031
chem comp atom.model cartn x ideal: -0.053
chem comp atom.model cartn y: 21.048
chem comp atom.model cartn y ideal: 0.007
chem comp atom.model cartn z: -7.196
chem comp atom.model cartn z ideal: 4.572
chem comp atom.pdb atom id: CH
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CH3,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: CH3
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.087
chem comp atom.model cartn x ideal: -0.861
chem comp atom.model cartn y: 21.981
chem comp atom.model cartn y ideal: 0.460
chem comp atom.model cartn z: -6.014
chem comp atom.model cartn z ideal: 5.761
chem comp atom.pdb atom id: CH3
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

NZ,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: NZ
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.165
chem comp atom.model cartn x ideal: -0.509
chem comp atom.model cartn y: 21.027
chem comp atom.model cartn y ideal: 0.231
chem comp atom.model cartn z: -8.042
chem comp atom.model cartn z ideal: 3.324
chem comp atom.pdb atom id: NZ
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: N

CE,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: CE
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.999
chem comp atom.model cartn x ideal: 0.275
chem comp atom.model cartn y: 20.068
chem comp atom.model cartn y ideal: -0.208
chem comp atom.model cartn z: -9.164
chem comp atom.model cartn z ideal: 2.167
chem comp atom.pdb atom id: CE
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CD,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: CD
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.485
chem comp atom.model cartn x ideal: -0.461
chem comp atom.model cartn y: 20.768
chem comp atom.model cartn y ideal: 0.164
chem comp atom.model cartn z: -10.423
chem comp atom.model cartn z ideal: 0.879
chem comp atom.pdb atom id: CD
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CG,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: CG
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.544
chem comp atom.model cartn x ideal: 0.358
chem comp atom.model cartn y: 19.848
chem comp atom.model cartn y ideal: -0.294
chem comp atom.model cartn z: -11.637
chem comp atom.model cartn z ideal: -0.327
chem comp atom.pdb atom id: CG
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CB,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: CB
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.935
chem comp atom.model cartn x ideal: -0.377
chem comp atom.model cartn y: 19.885
chem comp atom.model cartn y ideal: 0.078
chem comp atom.model cartn z: -12.249
chem comp atom.model cartn z ideal: -1.615
chem comp atom.pdb atom id: CB
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CA,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: CA
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.188
chem comp atom.model cartn x ideal: 0.442
chem comp atom.model cartn y: 18.796
chem comp atom.model cartn y ideal: -0.381
chem comp atom.model cartn z: -13.285
chem comp atom.model cartn z ideal: -2.823
chem comp atom.pdb atom id: CA
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: S
chem comp atom.type symbol: C

N,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: N
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.473
chem comp atom.model cartn x ideal: 1.755
chem comp atom.model cartn y: 19.072
chem comp atom.model cartn y ideal: 0.276
chem comp atom.model cartn z: -13.889
chem comp atom.model cartn z ideal: -2.802
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: C
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.124
chem comp atom.model cartn x ideal: -0.283
chem comp atom.model cartn y: 18.861
chem comp atom.model cartn y ideal: -0.013
chem comp atom.model cartn z: -14.337
chem comp atom.model cartn z ideal: -4.092
chem comp atom.pdb atom id: C
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: O
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.100
chem comp atom.model cartn x ideal: -0.079
chem comp atom.model cartn y: 19.891
chem comp atom.model cartn y ideal: 1.056
chem comp atom.model cartn z: -15.140
chem comp atom.model cartn z ideal: -4.616
chem comp atom.pdb atom id: O
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: O

OXT,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: OXT
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 11.219
chem comp atom.model cartn x ideal: -1.155
chem comp atom.model cartn y: 17.899
chem comp atom.model cartn y ideal: -0.873
chem comp atom.model cartn z: -14.413
chem comp atom.model cartn z ideal: -4.640
chem comp atom.pdb atom id: OXT
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: O

HH31,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HH31
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.974
chem comp atom.model cartn x ideal: -0.336
chem comp atom.model cartn y: 22.627
chem comp atom.model cartn y ideal: 0.194
chem comp atom.model cartn z: -5.820
chem comp atom.model cartn z ideal: 6.679
chem comp atom.pdb atom id: HH31
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HH32,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HH32
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.187
chem comp atom.model cartn x ideal: -0.994
chem comp atom.model cartn y: 22.638
chem comp atom.model cartn y ideal: 1.541
chem comp atom.model cartn z: -6.054
chem comp atom.model cartn z ideal: 5.719
chem comp atom.pdb atom id: HH32
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HH33,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HH33
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.894
chem comp atom.model cartn x ideal: -1.835
chem comp atom.model cartn y: 21.380
chem comp atom.model cartn y ideal: -0.027
chem comp atom.model cartn z: -5.094
chem comp atom.model cartn z ideal: 5.746
chem comp atom.pdb atom id: HH33
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HZ,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HZ
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.980
chem comp atom.model cartn x ideal: -1.357
chem comp atom.model cartn y: 21.615
chem comp atom.model cartn y ideal: 0.683
chem comp atom.model cartn z: -7.868
chem comp atom.model cartn z ideal: 3.191
chem comp atom.pdb atom id: HZ
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HE3,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HE3
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.940
chem comp atom.model cartn x ideal: 1.250
chem comp atom.model cartn y: 19.505
chem comp atom.model cartn y ideal: 0.278
chem comp atom.model cartn z: -9.364
chem comp atom.model cartn z ideal: 2.183
chem comp atom.pdb atom id: HE3
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HE2,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HE2
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.345
chem comp atom.model cartn x ideal: 0.409
chem comp atom.model cartn y: 19.211
chem comp atom.model cartn y ideal: -1.289
chem comp atom.model cartn z: -8.876
chem comp atom.model cartn z ideal: 2.209
chem comp atom.pdb atom id: HE2
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HD3,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HD3
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.459
chem comp atom.model cartn x ideal: -1.435
chem comp atom.model cartn y: 21.178
chem comp atom.model cartn y ideal: -0.322
chem comp atom.model cartn z: -10.271
chem comp atom.model cartn z ideal: 0.864
chem comp atom.pdb atom id: HD3
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HD2,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HD2
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.028
chem comp atom.model cartn x ideal: -0.594
chem comp atom.model cartn y: 21.724
chem comp atom.model cartn y ideal: 1.245
chem comp atom.model cartn z: -10.608
chem comp atom.model cartn z ideal: 0.837
chem comp atom.pdb atom id: HD2
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG3,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HG3
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.223
chem comp atom.model cartn x ideal: 1.333
chem comp atom.model cartn y: 18.809
chem comp atom.model cartn y ideal: 0.192
chem comp atom.model cartn z: -11.390
chem comp atom.model cartn z ideal: -0.312
chem comp atom.pdb atom id: HG3
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG2,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HG2
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 10.752
chem comp atom.model cartn x ideal: 0.492
chem comp atom.model cartn y: 20.089
chem comp atom.model cartn y ideal: -1.375
chem comp atom.model cartn z: -12.383
chem comp atom.model cartn z ideal: -0.285
chem comp atom.pdb atom id: HG2
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB3,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HB3
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.145
chem comp atom.model cartn x ideal: -1.352
chem comp atom.model cartn y: 20.891
chem comp atom.model cartn y ideal: -0.409
chem comp atom.model cartn z: -12.680
chem comp atom.model cartn z ideal: -1.631
chem comp atom.pdb atom id: HB3
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB2,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HB2
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.713
chem comp atom.model cartn x ideal: -0.511
chem comp atom.model cartn y: 19.854
chem comp atom.model cartn y ideal: 1.159
chem comp atom.model cartn z: -11.451
chem comp atom.model cartn z ideal: -1.657
chem comp atom.pdb atom id: HB2
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HCA,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HCA
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.175
chem comp atom.model cartn x ideal: 0.575
chem comp atom.model cartn y: 17.784
chem comp atom.model cartn y ideal: -1.462
chem comp atom.model cartn z: -12.815
chem comp atom.model cartn z ideal: -2.781
chem comp atom.pdb atom id: HCA
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: H
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.642
chem comp atom.model cartn x ideal: 1.583
chem comp atom.model cartn y: 18.343
chem comp atom.model cartn y ideal: 1.269
chem comp atom.model cartn z: -14.582
chem comp atom.model cartn z ideal: -2.842
chem comp atom.pdb atom id: H
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: H2
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 15.225
chem comp atom.model cartn x ideal: 2.159
chem comp atom.model cartn y: 19.156
chem comp atom.model cartn y ideal: 0.088
chem comp atom.model cartn z: -13.206
chem comp atom.model cartn z ideal: -1.896
chem comp atom.pdb atom id: H2
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HXT,ALY,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: HXT
chem comp atom.comp id: ALY
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 10.544
chem comp atom.model cartn x ideal: -1.620
chem comp atom.model cartn y: 17.940
chem comp atom.model cartn y ideal: -0.637
chem comp atom.model cartn z: -15.080
chem comp atom.model cartn z ideal: -5.454
chem comp atom.pdb atom id: HXT
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: H

FE1,FES,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: FE1
chem comp atom.comp id: FES
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.237
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: 5.409
chem comp atom.model cartn y ideal: -0.213
chem comp atom.model cartn z: 27.398
chem comp atom.model cartn z ideal: -1.531
chem comp atom.pdb atom id: FE1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: FE

FE2,FES,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: FE2
chem comp atom.comp id: FES
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.361
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: 2.666
chem comp atom.model cartn y ideal: -0.213
chem comp atom.model cartn z: 27.488
chem comp atom.model cartn z ideal: 1.531
chem comp atom.pdb atom id: FE2
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: FE

S1,FES,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: S1
chem comp atom.comp id: FES
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.422
chem comp atom.model cartn x ideal: 1.461
chem comp atom.model cartn y: 4.079
chem comp atom.model cartn y ideal: 0.372
chem comp atom.model cartn z: 28.829
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: S1
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: S

S2,FES,4444
type: chem comp atom
of datablock: info:bmrb/4444
reference to entry: entry
chem comp atom.atom id: S2
chem comp atom.comp id: FES
chem comp atom.entry id: 4444
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.380
chem comp atom.model cartn x ideal: -1.461
chem comp atom.model cartn y: 3.919
chem comp atom.model cartn y ideal: 0.372
chem comp atom.model cartn z: 25.972
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: S2
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: S

FES,4444,1
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: FES
chem comp bond.entry id: 4444
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE1
chem comp bond.atom id 2: S1
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,2
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OH
chem comp bond.atom id 2: CH
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

FES,4444,3
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: FES
chem comp bond.entry id: 4444
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE1
chem comp bond.atom id 2: S2
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,4
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 4
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CH
chem comp bond.atom id 2: CH3
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,5
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 5
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CH
chem comp bond.atom id 2: NZ
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

FES,4444,6
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: FES
chem comp bond.entry id: 4444
chem comp bond.id: 6
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE2
chem comp bond.atom id 2: S1
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

FES,4444,7
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: FES
chem comp bond.entry id: 4444
chem comp bond.id: 7
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE2
chem comp bond.atom id 2: S2
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,8
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 8
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CH3
chem comp bond.atom id 2: HH31
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,9
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 9
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CH3
chem comp bond.atom id 2: HH32
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,10
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 10
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CH3
chem comp bond.atom id 2: HH33
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,11
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 11
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: NZ
chem comp bond.atom id 2: CE
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,12
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 12
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: NZ
chem comp bond.atom id 2: HZ
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,13
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 13
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: CD
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,14
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 14
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE3
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,15
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 15
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CE
chem comp bond.atom id 2: HE2
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,16
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: CG
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,17
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 17
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: HD3
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,18
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 18
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: HD2
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,19
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 19
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CB
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,20
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 20
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,21
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 21
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,22
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 22
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CA
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,23
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 23
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,24
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 24
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,25
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: N
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,26
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 26
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,27
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HCA
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,28
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,29
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,30
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 30
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

ALY,4444,31
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 31
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

ALY,4444,32
type: chem comp bond
of datablock: info:bmrb/4444
chem comp bond.comp id: ALY
chem comp bond.entry id: 4444
chem comp bond.id: 32
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

http://bmrbpub.pdbj.org/rdf/bmr4444/chem_comp_descriptor/ALY,O%3DC(NCCCCC(N)C(%3DO)O)C,4444,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: ALY
chem comp descriptor.descriptor: O=C(NCCCCC(N)C(=O)O)C
chem comp descriptor.entry id: 4444
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr4444/chem_comp_descriptor/ALY,CC(%3DO)NCCCC%5BC%40H%5D(N)C(O)%3DO,4444,CACTVS,3.341,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: ALY
chem comp descriptor.descriptor: CC(=O)NCCCC[C@H](N)C(O)=O
chem comp descriptor.entry id: 4444
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr4444/chem_comp_descriptor/ALY,CC(%3DO)NCCCC%5BCH%5D(N)C(O)%3DO,4444,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: ALY
chem comp descriptor.descriptor: CC(=O)NCCCC[CH](N)C(O)=O
chem comp descriptor.entry id: 4444
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr4444/chem_comp_descriptor/ALY,CC(%3DO)NCCCC%5BC%40%40H%5D(C(%3DO)O)N,4444,OECHEM,1.5.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: ALY
chem comp descriptor.descriptor: CC(=O)NCCCC[C@@H](C(=O)O)N
chem comp descriptor.entry id: 4444
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr4444/chem_comp_descriptor/ALY,CC(%3DO)NCCCCC(C(%3DO)O)N,4444,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: ALY
chem comp descriptor.descriptor: CC(=O)NCCCCC(C(=O)O)N
chem comp descriptor.entry id: 4444
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr4444/chem_comp_descriptor/ALY,InChI%3D1S%2FC8H16N2O3%2Fc1-6(11)10-5-3-2-4-7(9)8(12)13%2Fh7H,2-5,9H2,4444,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: ALY
chem comp descriptor.descriptor: InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
chem comp descriptor.entry id: 4444
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

ALY,DTERQYGMUDWYAZ-ZETCQYMHSA-N,4444,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: ALY
chem comp descriptor.descriptor: DTERQYGMUDWYAZ-ZETCQYMHSA-N
chem comp descriptor.entry id: 4444
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

FES,[Fe]1S[Fe]S1,4444,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: [Fe]1S[Fe]S1
chem comp descriptor.entry id: 4444
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

FES,S1[Fe]S[Fe]1,4444,CACTVS,3.341,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: S1[Fe]S[Fe]1
chem comp descriptor.entry id: 4444
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

FES,S1[Fe]S[Fe]1,4444,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: S1[Fe]S[Fe]1
chem comp descriptor.entry id: 4444
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

FES,S1[Fe]S[Fe]1,4444,OECHEM,1.5.0,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: S1[Fe]S[Fe]1
chem comp descriptor.entry id: 4444
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

FES,S1[Fe]S[Fe]1,4444,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: S1[Fe]S[Fe]1
chem comp descriptor.entry id: 4444
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr4444/chem_comp_descriptor/FES,InChI%3D1S%2F2Fe.2S,4444,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: InChI=1S/2Fe.2S
chem comp descriptor.entry id: 4444
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

FES,NIXDOXVAJZFRNF-UHFFFAOYSA-N,4444,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4444
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: NIXDOXVAJZFRNF-UHFFFAOYSA-N
chem comp descriptor.entry id: 4444
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

ALY,4444,N~6~-acetyl-L-lysine,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/4444
chem comp identifier.comp id: ALY
chem comp identifier.entry id: 4444
chem comp identifier.identifier: N~6~-acetyl-L-lysine
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

ALY,4444,(2S)-6-acetamido-2-amino-hexanoic acid,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/4444
chem comp identifier.comp id: ALY
chem comp identifier.entry id: 4444
chem comp identifier.identifier: (2S)-6-acetamido-2-amino-hexanoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

FES,4444,di-mu-sulfidediiron,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/4444
chem comp identifier.comp id: FES
chem comp identifier.entry id: 4444
chem comp identifier.identifier: di-mu-sulfidediiron
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

FES,4444,1,3-dithia-2$l {2},4$l {2}-diferracyclobutane,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/4444
chem comp identifier.comp id: FES
chem comp identifier.entry id: 4444
chem comp identifier.identifier: 1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

1,4444,1
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 1
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 1h coverage: 0.286
chem shift completeness char.chem shift coverage: 0.417
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.167
chem shift completeness char.sc chem shift coverage: 0.222
chem shift completeness char.sf id: 44440301

1,4444,2
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 2
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 2
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,3
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 3
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 44440301

1,4444,4
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 4
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 44440301

1,4444,5
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 5
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,6
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 44440301

1,4444,7
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 7
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,8
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 8
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.636
chem shift completeness char.sf id: 44440301

1,4444,9
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 9
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 44440301

1,4444,10
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 10
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 10
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 44440301

1,4444,11
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 11
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 44440301

1,4444,12
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 12
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,13
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 13
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,14
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 14
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.875
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.833
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 44440301

1,4444,15
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 15
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 44440301

1,4444,16
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 16
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.700
chem shift completeness char.comp id: TRP
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.600
chem shift completeness char.sf id: 44440301

1,4444,17
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 17
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,18
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 18
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.571
chem shift completeness char.chem shift coverage: 0.615
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.400
chem shift completeness char.sc chem shift coverage: 0.375
chem shift completeness char.sf id: 44440301

1,4444,19
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 19
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,20
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 20
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,21
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 21
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,22
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 22
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,23
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 23
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 23
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,24
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 24
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.722
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.615
chem shift completeness char.sf id: 44440301

1,4444,25
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 25
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 44440301

1,4444,26
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 26
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.400
chem shift completeness char.chem shift coverage: 0.471
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.250
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 44440301

1,4444,27
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 27
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,28
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 28
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,29
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 29
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,30
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 30
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,31
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 31
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 44440301

1,4444,32
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 32
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.571
chem shift completeness char.chem shift coverage: 0.571
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.400
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 44440301

1,4444,33
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 33
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 33
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,34
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 34
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 34
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 44440301

1,4444,35
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 35
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,36
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 36
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 36
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,37
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 37
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 37
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.636
chem shift completeness char.sf id: 44440301

1,4444,38
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 38
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 38
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 44440301

1,4444,39
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 39
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 39
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,40
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 40
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.923
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 40
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.667
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.875
chem shift completeness char.sf id: 44440301

1,4444,41
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 41
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 44440301

1,4444,42
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 42
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 42
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,43
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 43
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.667
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 104
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 44440301

1,4444,44
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 44
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 105
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,45
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 45
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 1h coverage: 0.429
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 106
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 44440301

1,4444,46
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 46
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 107
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,47
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 47
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 108
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,48
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 48
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 109
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,49
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 49
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 110
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 44440301

1,4444,50
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 50
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 111
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,51
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 51
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.400
chem shift completeness char.chem shift coverage: 0.471
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 112
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.250
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 44440301

1,4444,52
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 52
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 113
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 44440301

1,4444,53
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 53
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 114
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,54
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 54
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 115
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.636
chem shift completeness char.sf id: 44440301

1,4444,55
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 55
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 116
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,56
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 56
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 117
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,57
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 57
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 119
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.714
chem shift completeness char.sf id: 44440301

1,4444,58
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 58
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 120
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,59
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 59
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 121
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,60
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 60
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 122
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.636
chem shift completeness char.sf id: 44440301

1,4444,61
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 61
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.286
chem shift completeness char.chem shift coverage: 0.571
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 123
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.400
chem shift completeness char.sc chem shift coverage: 0.556
chem shift completeness char.sf id: 44440301

1,4444,62
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 62
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 124
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.556
chem shift completeness char.sf id: 44440301

1,4444,63
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 63
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 125
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,64
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 64
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 126
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,65
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 65
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.400
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 127
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 44440301

1,4444,66
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 66
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 128
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,67
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 67
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 43
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,68
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 68
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 44
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 44440301

1,4444,69
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 69
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 45
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 44440301

1,4444,70
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 70
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 46
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 44440301

1,4444,71
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 71
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 47
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.636
chem shift completeness char.sf id: 44440301

1,4444,72
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 72
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 48
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 0.500
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 44440301

1,4444,73
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 73
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.714
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 49
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.600
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 44440301

1,4444,74
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 74
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 50
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 44440301

1,4444,75
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 75
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 51
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,76
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 76
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 52
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 44440301

1,4444,77
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 77
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 53
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,78
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 78
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 54
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,79
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 79
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 44440301

1,4444,80
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 80
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 56
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 44440301

1,4444,81
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 81
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 57
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.636
chem shift completeness char.sf id: 44440301

1,4444,82
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 82
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 58
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,83
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 83
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.650
chem shift completeness char.comp id: TRP
chem shift completeness char.comp index id: 59
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.600
chem shift completeness char.sf id: 44440301

1,4444,84
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 84
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 60
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,85
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 85
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 61
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,86
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 86
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 62
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,87
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 87
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,88
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 88
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 64
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,89
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 89
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 65
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,90
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 90
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 66
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 44440301

1,4444,91
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 91
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,92
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 92
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 68
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,93
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 93
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,94
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 94
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 70
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,95
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 95
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 71
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,96
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 96
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 72
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,97
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 97
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 73
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,98
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 98
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 74
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,99
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 99
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 75
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 44440301

1,4444,100
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 100
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.400
chem shift completeness char.chem shift coverage: 0.471
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 76
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.250
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 44440301

1,4444,101
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 101
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 77
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 44440301

1,4444,102
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 102
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 78
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 44440301

1,4444,103
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 103
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 79
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 44440301

1,4444,104
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 104
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 80
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 44440301

1,4444,105
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 105
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 81
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,106
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 106
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 82
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,107
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 107
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 83
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,108
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 108
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.571
chem shift completeness char.chem shift coverage: 0.615
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 84
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.400
chem shift completeness char.sc chem shift coverage: 0.375
chem shift completeness char.sf id: 44440301

1,4444,109
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 109
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.571
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 85
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 44440301

1,4444,110
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 110
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.286
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 86
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 44440301

1,4444,111
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 111
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.214
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 87
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,112
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 112
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.286
chem shift completeness char.chem shift coverage: 0.429
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 88
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 44440301

1,4444,113
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 113
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 89
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,114
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 114
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 90
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,115
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 115
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 91
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 44440301

1,4444,116
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 116
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 92
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 44440301

1,4444,117
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 117
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 93
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 44440301

1,4444,118
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 118
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 94
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 44440301

1,4444,119
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 119
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.545
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 95
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 44440301

1,4444,120
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 120
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.800
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 96
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 44440301

1,4444,121
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 121
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 97
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,122
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 122
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 98
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44440301

1,4444,123
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 123
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.222
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 99
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.100
chem shift completeness char.sf id: 44440301

1,4444,124
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 124
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 100
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,125
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 125
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 101
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,126
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 126
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 102
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444,127
type: chem shift completeness char
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4444
chem shift completeness char.id: 127
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 103
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44440301

1,4444
type: chem shift completeness list
of datablock: info:bmrb/4444
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 4444
chem shift completeness list.arom chem shift 13c fraction: 4/50
chem shift completeness list.arom chem shift 15n fraction: 0/2
chem shift completeness list.arom chem shift 1h fraction: 47/52
chem shift completeness list.arom chem shift fraction: 51/104
chem shift completeness list.assigned residue coverage: 0.875
chem shift completeness list.bb chem shift 13c fraction: 323/372
chem shift completeness list.bb chem shift 15n fraction: 107/124
chem shift completeness list.bb chem shift 1h fraction: 222/260
chem shift completeness list.bb chem shift fraction: 652/756
chem shift completeness list.chem shift 13c fraction: 365/543
chem shift completeness list.chem shift 15n fraction: 111/135
chem shift completeness list.chem shift 1h fraction: 526/713
chem shift completeness list.chem shift fraction: 1002/1391
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr4444_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 38/66
chem shift completeness list.methyl chem shift 1h fraction: 45/66
chem shift completeness list.methyl chem shift fraction: 83/132
chem shift completeness list.output file name: bmr4444_chem_shift_completeness.str
chem shift completeness list.queried date: 2020-07-22Z
chem shift completeness list.sc chem shift 13c fraction: 145/289
chem shift completeness list.sc chem shift 15n fraction: 4/11
chem shift completeness list.sc chem shift 1h fraction: 304/453
chem shift completeness list.sc chem shift fraction: 453/753
chem shift completeness list.sf category: chem_shift_completeness_list
chem shift completeness list.sf framecode: chem_shift_completeness_list_1
chem shift completeness list.sf id: 44440301

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chem shift experiment.experiment id: 1
chem shift experiment.experiment name: na
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,H,1,4444,DSS
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chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.0
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chem shift ref.indirect shift ratio: 1.0
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chem shift ref.indirect shift ratio: 0.1013291
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13,C,1,4444,DSS
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chem shift ref.indirect shift ratio: 0.2514495
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4444,1
type: citation
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citation.entry id: 4444
citation.id: 1
citation.class: entry citation
citation.journal abbrev: J. Biomol. NMR
citation.journal volume: 16
citation.page first: 347
citation.page last: 348
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: Letter to the Editor: Sequence-specific 1H, 13C and 15N resonance assignments and secondary structure of [2Fe-2S] ferredoxin from Halobacterium salinarum
citation.type: journal
citation.year: 2000

1,4444,1
type: citation author
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citation author.ordinal: 1
citation author.family name: Schweimer
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1,4444,2
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citation author.ordinal: 2
citation author.family name: Marg
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entity.id: 1
entity.db query revised last date: 2015-11-24Z
entity.formula weight: 14328.50
entity.name: halobacterium salinarum ferredoxin
entity.number of monomers: 128
entity.parent entity id: 1
entity.polymer seq one letter code: PTVEYLNYETLDDQGWDMDDDDLFEKAADAGLDGEDYGTMEVAEGEYILEAAEAQGYDWPFSCRAGACANCASIVKEGEIDMDMQQILSDEEVEEKDVRLTCIGSPAADEVKIVYNAXHLDYLQNRVI
entity.polymer seq one letter code can: PTVEYLNYETLDDQGWDMDDDDLFEKAADAGLDGEDYGTMEVAEGEYILEAAEAQGYDWPFSCRAGACANCASIVKEGEIDMDMQQILSDEEVEEKDVRLTCIGSPAADEVKIVYNA(ALY)HLDYLQNRVI
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entity.nstd chirality: no
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entity.polymer seq one letter code can: (FES)
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entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 79
entity comp index.comp id: GLU

1,4444,80
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 80
entity comp index.comp id: ILE

1,4444,81
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 81
entity comp index.comp id: ASP

1,4444,82
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 82
entity comp index.comp id: MET

1,4444,83
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 83
entity comp index.comp id: ASP

1,4444,84
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 84
entity comp index.comp id: MET

1,4444,85
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 85
entity comp index.comp id: GLN

1,4444,86
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 86
entity comp index.comp id: GLN

1,4444,87
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 87
entity comp index.comp id: ILE

1,4444,88
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 88
entity comp index.comp id: LEU

1,4444,89
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 89
entity comp index.comp id: SER

1,4444,90
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 90
entity comp index.comp id: ASP

1,4444,91
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 91
entity comp index.comp id: GLU

1,4444,92
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 92
entity comp index.comp id: GLU

1,4444,93
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 93
entity comp index.comp id: VAL

1,4444,94
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 94
entity comp index.comp id: GLU

1,4444,95
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 95
entity comp index.comp id: GLU

1,4444,96
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 96
entity comp index.comp id: LYS

1,4444,97
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 97
entity comp index.comp id: ASP

1,4444,98
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 98
entity comp index.comp id: VAL

1,4444,99
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 99
entity comp index.comp id: ARG

1,4444,100
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 100
entity comp index.comp id: LEU

1,4444,101
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 101
entity comp index.comp id: THR

1,4444,102
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 102
entity comp index.comp id: CYS

1,4444,103
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 103
entity comp index.comp id: ILE

1,4444,104
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 104
entity comp index.comp id: GLY

1,4444,105
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 105
entity comp index.comp id: SER

1,4444,106
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 106
entity comp index.comp id: PRO

1,4444,107
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 107
entity comp index.comp id: ALA

1,4444,108
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 108
entity comp index.comp id: ALA

1,4444,109
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 109
entity comp index.comp id: ASP

1,4444,110
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 110
entity comp index.comp id: GLU

1,4444,111
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 111
entity comp index.comp id: VAL

1,4444,112
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 112
entity comp index.comp id: LYS

1,4444,113
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 113
entity comp index.comp id: ILE

1,4444,114
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 114
entity comp index.comp id: VAL

1,4444,115
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 115
entity comp index.comp id: TYR

1,4444,116
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 116
entity comp index.comp id: ASN

1,4444,117
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 117
entity comp index.comp id: ALA

1,4444,118
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 118
entity comp index.comp id: ALY

1,4444,119
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 119
entity comp index.comp id: HIS

1,4444,120
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 120
entity comp index.comp id: LEU

1,4444,121
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 121
entity comp index.comp id: ASP

1,4444,122
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 122
entity comp index.comp id: TYR

1,4444,123
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 123
entity comp index.comp id: LEU

1,4444,124
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 124
entity comp index.comp id: GLN

1,4444,125
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 125
entity comp index.comp id: ASN

1,4444,126
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 126
entity comp index.comp id: ARG

1,4444,127
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 127
entity comp index.comp id: VAL

1,4444,128
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 1
entity comp index.entry id: 4444
entity comp index.id: 128
entity comp index.comp id: ILE

2,4444,129
type: entity comp index
of datablock: info:bmrb/4444
entity comp index.entity id: 2
entity comp index.entry id: 4444
entity comp index.id: 129
entity comp index.comp id: FES

1E0Z,PDB,1,4444
type: entity db link
of datablock: info:bmrb/4444
entity db link.accession code: 1E0Z
entity db link.database code: PDB
entity db link.entity id: 1
entity db link.entry id: 4444
entity db link.author supplied: no
entity db link.entry mol name: [2fe-2s]-Ferredoxin From Halobacterium Salinarum
entity db link.ordinal: 1
entity db link.seq homology expectation val: 2.95E-85
entity db link.seq identity: 100.00
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 128

info:pdb/1E0Z

pdb:1E0Z

1E10,PDB,1,4444
type: entity db link
of datablock: info:bmrb/4444
entity db link.accession code: 1E10
entity db link.database code: PDB
entity db link.entity id: 1
entity db link.entry id: 4444
entity db link.author supplied: no
entity db link.entry mol name: [2fe-2s]-Ferredoxin From Halobacterium Salinarum
entity db link.ordinal: 2
entity db link.seq homology expectation val: 3.44E-84
entity db link.seq identity: 99.21
entity db link.seq positive: 99.21
entity db link.seq query to submitted percent: 99.22
entity db link.seq subject length: 128

info:pdb/1E10

pdb:1E10

CAA48224,EMBL,1,4444
type: entity db link
of datablock: info:bmrb/4444
entity db link.accession code: CAA48224
entity db link.database code: EMBL
entity db link.entity id: 1
entity db link.entry id: 4444
entity db link.author supplied: no
entity db link.entry mol name: ferredoxin [Halobacterium salinarum]
entity db link.ordinal: 3
entity db link.seq homology expectation val: 1.63E-85
entity db link.seq identity: 99.22
entity db link.seq positive: 99.22
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 129

info:ddbj-embl-genbank/CAA48224

ncbiprotein:CAA48224

CAP14708,EMBL,1,4444
type: entity db link
of datablock: info:bmrb/4444
entity db link.accession code: CAP14708
entity db link.database code: EMBL
entity db link.entity id: 1
entity db link.entry id: 4444
entity db link.author supplied: no
entity db link.entry mol name: ferredoxin (2Fe-2S) [Halobacterium salinarum R1]
entity db link.ordinal: 4
entity db link.seq homology expectation val: 1.63E-85
entity db link.seq identity: 99.22
entity db link.seq positive: 99.22
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 129

info:ddbj-embl-genbank/CAP14708

ncbiprotein:CAP14708

AAG20406,GB,1,4444
type: entity db link
of datablock: info:bmrb/4444
entity db link.accession code: AAG20406
entity db link.database code: GB
entity db link.entity id: 1
entity db link.entry id: 4444
entity db link.author supplied: no
entity db link.entry mol name: ferredoxin [Halobacterium sp. NRC-1]
entity db link.ordinal: 5
entity db link.seq homology expectation val: 1.63E-85
entity db link.seq identity: 99.22
entity db link.seq positive: 99.22
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 129

info:ddbj-embl-genbank/AAG20406

ncbiprotein:AAG20406

0407261A,PRF,1,4444
type: entity db link
of datablock: info:bmrb/4444
entity db link.accession code: 0407261A
entity db link.database code: PRF
entity db link.entity id: 1
entity db link.entry id: 4444
entity db link.author supplied: no
entity db link.entry mol name: ferredoxin
entity db link.ordinal: 6
entity db link.seq homology expectation val: 2.45E-85
entity db link.seq identity: 99.22
entity db link.seq positive: 99.22
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 128

info:prf/0407261A

1916400A,PRF,1,4444
type: entity db link
of datablock: info:bmrb/4444
entity db link.accession code: 1916400A
entity db link.database code: PRF
entity db link.entity id: 1
entity db link.entry id: 4444
entity db link.author supplied: no
entity db link.entry mol name: 2Fe2S ferredoxin
entity db link.ordinal: 7
entity db link.seq homology expectation val: 1.63E-85
entity db link.seq identity: 99.22
entity db link.seq positive: 99.22
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 129

info:prf/1916400A

WP 010903707,REF,1,4444
type: entity db link
of datablock: info:bmrb/4444
entity db link.accession code: WP_010903707
entity db link.database code: REF
entity db link.entity id: 1
entity db link.entry id: 4444
entity db link.author supplied: no
entity db link.entry mol name: ferredoxin [Halobacterium salinarum]
entity db link.ordinal: 8
entity db link.seq homology expectation val: 1.63E-85
entity db link.seq identity: 99.22
entity db link.seq positive: 99.22
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 129

info:refseq/WP_010903707

refseq:WP_010903707

P00216,SP,1,4444
type: entity db link
of datablock: info:bmrb/4444
entity db link.accession code: P00216
entity db link.database code: SP
entity db link.entity id: 1
entity db link.entry id: 4444
entity db link.author supplied: no
entity db link.entry mol name: RecName: Full=Ferredoxin
entity db link.ordinal: 9
entity db link.seq homology expectation val: 1.63E-85
entity db link.seq identity: 99.22
entity db link.seq positive: 99.22
entity db link.seq query to submitted percent: 100.00
entity db link.seq subject length: 129

info:uniprot/P00216

uniprot:P00216

1,4444,1
type: entity experimental src
of datablock: info:bmrb/4444
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 4444
entity experimental src.id: 1
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 1
entity experimental src.entity label: HsFdx
entity experimental src.host org genus: Not applicable
entity experimental src.host org name common: unidentified
entity experimental src.host org scientific name: unidentified
entity experimental src.host org species: unidentified
entity experimental src.production method: purified from the natural source

4444,1
type: entity experimental src list
of datablock: info:bmrb/4444
reference to entry: entry
entity experimental src list.entry id: 4444
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source

1,4444,1
type: entity natural src
of datablock: info:bmrb/4444
reference to entry: entry
entity natural src.entity natural src list id: 1
entity natural src.entry id: 4444
entity natural src.id: 1
entity natural src.citation id: 0
entity natural src.entity chimera segment id: 0
entity natural src.entity id: 1
entity natural src.entity label: HsFdx
entity natural src.genus: Halobacterium
entity natural src.kingdom: Not applicable
entity natural src.ncbi taxonomy id: 2242
entity natural src.organism name common: Halobacterium salinarum
entity natural src.organism name scientific: Halobacterium salinarum
entity natural src.species: salinarum
entity natural src.superkingdom: Archaea
entity natural src.type: organism

info:taxonomy/2242

taxonomy:2242

4444,1
type: entity natural src list
of datablock: info:bmrb/4444
reference to entry: entry
entity natural src list.entry id: 4444
entity natural src list.id: 1
entity natural src list.sf category: natural_source
entity natural src list.sf framecode: natural_source

1,4444,1
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 1
entity poly seq.comp index id: 1
entity poly seq.mon id: PRO

1,4444,2
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 2
entity poly seq.comp index id: 2
entity poly seq.mon id: THR

1,4444,3
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 3
entity poly seq.comp index id: 3
entity poly seq.mon id: VAL

1,4444,4
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 4
entity poly seq.comp index id: 4
entity poly seq.mon id: GLU

1,4444,5
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 5
entity poly seq.comp index id: 5
entity poly seq.mon id: TYR

1,4444,6
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 6
entity poly seq.comp index id: 6
entity poly seq.mon id: LEU

1,4444,7
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 7
entity poly seq.comp index id: 7
entity poly seq.mon id: ASN

1,4444,8
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 8
entity poly seq.comp index id: 8
entity poly seq.mon id: TYR

1,4444,9
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 9
entity poly seq.comp index id: 9
entity poly seq.mon id: GLU

1,4444,10
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 10
entity poly seq.comp index id: 10
entity poly seq.mon id: THR

1,4444,11
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 11
entity poly seq.comp index id: 11
entity poly seq.mon id: LEU

1,4444,12
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 12
entity poly seq.comp index id: 12
entity poly seq.mon id: ASP

1,4444,13
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 13
entity poly seq.comp index id: 13
entity poly seq.mon id: ASP

1,4444,14
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 14
entity poly seq.comp index id: 14
entity poly seq.mon id: GLN

1,4444,15
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 15
entity poly seq.comp index id: 15
entity poly seq.mon id: GLY

1,4444,16
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 16
entity poly seq.comp index id: 16
entity poly seq.mon id: TRP

1,4444,17
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 17
entity poly seq.comp index id: 17
entity poly seq.mon id: ASP

1,4444,18
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 18
entity poly seq.comp index id: 18
entity poly seq.mon id: MET

1,4444,19
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 19
entity poly seq.comp index id: 19
entity poly seq.mon id: ASP

1,4444,20
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 20
entity poly seq.comp index id: 20
entity poly seq.mon id: ASP

1,4444,21
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 21
entity poly seq.comp index id: 21
entity poly seq.mon id: ASP

1,4444,22
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 22
entity poly seq.comp index id: 22
entity poly seq.mon id: ASP

1,4444,23
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 23
entity poly seq.comp index id: 23
entity poly seq.mon id: LEU

1,4444,24
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 24
entity poly seq.comp index id: 24
entity poly seq.mon id: PHE

1,4444,25
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 25
entity poly seq.comp index id: 25
entity poly seq.mon id: GLU

1,4444,26
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 26
entity poly seq.comp index id: 26
entity poly seq.mon id: LYS

1,4444,27
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 27
entity poly seq.comp index id: 27
entity poly seq.mon id: ALA

1,4444,28
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 28
entity poly seq.comp index id: 28
entity poly seq.mon id: ALA

1,4444,29
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 29
entity poly seq.comp index id: 29
entity poly seq.mon id: ASP

1,4444,30
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 30
entity poly seq.comp index id: 30
entity poly seq.mon id: ALA

1,4444,31
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 31
entity poly seq.comp index id: 31
entity poly seq.mon id: GLY

1,4444,32
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 32
entity poly seq.comp index id: 32
entity poly seq.mon id: LEU

1,4444,33
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 33
entity poly seq.comp index id: 33
entity poly seq.mon id: ASP

1,4444,34
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 34
entity poly seq.comp index id: 34
entity poly seq.mon id: GLY

1,4444,35
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 35
entity poly seq.comp index id: 35
entity poly seq.mon id: GLU

1,4444,36
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 36
entity poly seq.comp index id: 36
entity poly seq.mon id: ASP

1,4444,37
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 37
entity poly seq.comp index id: 37
entity poly seq.mon id: TYR

1,4444,38
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 38
entity poly seq.comp index id: 38
entity poly seq.mon id: GLY

1,4444,39
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 39
entity poly seq.comp index id: 39
entity poly seq.mon id: THR

1,4444,40
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 40
entity poly seq.comp index id: 40
entity poly seq.mon id: MET

1,4444,41
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 41
entity poly seq.comp index id: 41
entity poly seq.mon id: GLU

1,4444,42
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 42
entity poly seq.comp index id: 42
entity poly seq.mon id: VAL

1,4444,43
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 43
entity poly seq.comp index id: 43
entity poly seq.mon id: ALA

1,4444,44
type: entity poly seq
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entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 44
entity poly seq.comp index id: 44
entity poly seq.mon id: GLU

1,4444,45
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 45
entity poly seq.comp index id: 45
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1,4444,46
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 46
entity poly seq.comp index id: 46
entity poly seq.mon id: GLU

1,4444,47
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 47
entity poly seq.comp index id: 47
entity poly seq.mon id: TYR

1,4444,48
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 48
entity poly seq.comp index id: 48
entity poly seq.mon id: ILE

1,4444,49
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 49
entity poly seq.comp index id: 49
entity poly seq.mon id: LEU

1,4444,50
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
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entity poly seq.comp index id: 50
entity poly seq.mon id: GLU

1,4444,51
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 51
entity poly seq.comp index id: 51
entity poly seq.mon id: ALA

1,4444,52
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 52
entity poly seq.comp index id: 52
entity poly seq.mon id: ALA

1,4444,53
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 53
entity poly seq.comp index id: 53
entity poly seq.mon id: GLU

1,4444,54
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 54
entity poly seq.comp index id: 54
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1,4444,55
type: entity poly seq
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entity poly seq.entry id: 4444
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entity poly seq.comp index id: 55
entity poly seq.mon id: GLN

1,4444,56
type: entity poly seq
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entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 56
entity poly seq.comp index id: 56
entity poly seq.mon id: GLY

1,4444,57
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 57
entity poly seq.comp index id: 57
entity poly seq.mon id: TYR

1,4444,58
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 58
entity poly seq.comp index id: 58
entity poly seq.mon id: ASP

1,4444,59
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
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entity poly seq.comp index id: 59
entity poly seq.mon id: TRP

1,4444,60
type: entity poly seq
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entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 60
entity poly seq.comp index id: 60
entity poly seq.mon id: PRO

1,4444,61
type: entity poly seq
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entity poly seq.entity id: 1
entity poly seq.entry id: 4444
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entity poly seq.comp index id: 61
entity poly seq.mon id: PHE

1,4444,62
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 62
entity poly seq.comp index id: 62
entity poly seq.mon id: SER

1,4444,63
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 63
entity poly seq.comp index id: 63
entity poly seq.mon id: CYS

1,4444,64
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
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entity poly seq.comp index id: 64
entity poly seq.mon id: ARG

1,4444,65
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 65
entity poly seq.comp index id: 65
entity poly seq.mon id: ALA

1,4444,66
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
entity poly seq.num: 66
entity poly seq.comp index id: 66
entity poly seq.mon id: GLY

1,4444,67
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
entity poly seq.num: 67
entity poly seq.comp index id: 67
entity poly seq.mon id: ALA

1,4444,68
type: entity poly seq
of datablock: info:bmrb/4444
entity poly seq.entity id: 1
entity poly seq.entry id: 4444
entity poly seq.num: 68
entity poly seq.comp index id: 68
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1,4444,69
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
entity poly seq.num: 69
entity poly seq.comp index id: 69
entity poly seq.mon id: ALA

1,4444,70
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
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entity poly seq.comp index id: 70
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1,4444,71
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
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1,4444,72
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
entity poly seq.num: 72
entity poly seq.comp index id: 72
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1,4444,73
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
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1,4444,74
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
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1,4444,75
type: entity poly seq
of datablock: info:bmrb/4444
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1,4444,76
type: entity poly seq
of datablock: info:bmrb/4444
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1,4444,77
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
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1,4444,78
type: entity poly seq
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1,4444,79
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
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1,4444,80
type: entity poly seq
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entity poly seq.entry id: 4444
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entity poly seq.comp index id: 80
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1,4444,81
type: entity poly seq
of datablock: info:bmrb/4444
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entity poly seq.entry id: 4444
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1,4444,82
type: entity poly seq
of datablock: info:bmrb/4444
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1,4444,83
type: entity poly seq
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1,4444,84
type: entity poly seq
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1,4444,85
type: entity poly seq
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1,4444,86
type: entity poly seq
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1,4444,87
type: entity poly seq
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1,4444,88
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1,4444,89
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1,4444,90
type: entity poly seq
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entity poly seq.entry id: 4444
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1,4444,91
type: entity poly seq
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1,4444,92
type: entity poly seq
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1,4444,93
type: entity poly seq
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1,4444,94
type: entity poly seq
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1,4444,95
type: entity poly seq
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1,4444,96
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1,4444,97
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1,4444,98
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1,4444,99
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1,4444,100
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1,4444,101
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1,4444,102
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1,4444,103
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1,4444,104
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1,4444,105
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1,4444,106
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1,4444,107
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1,4444,110
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1,4444,111
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1,4444,112
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1,4444,113
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1,4444,115
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1,4444,116
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1,4444,117
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1,4444,118
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1,4444,119
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1,4444,120
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1,4444,121
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1,4444,122
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1,4444,123
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1,4444,124
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1,4444,125
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1,4444,126
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1,4444,127
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1,4444,128
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http://bmrbpub.pdbj.org/rdf/bmr4444/entry/4444
type: entry
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entry.id: 4444
entry.accession date: 1999-10-19Z
entry.experimental method: NMR
entry.last release date: 2008-07-27Z
entry.nmr star version: 3.1.1.61
entry.original release date: 2000-04-02Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information
entry.submission date: 1999-10-19Z
entry.title: 1H, 13C and 15N chemical shift assignments and secondary structure of Halobacterium salinarum ferredoxin
entry.type: macromolecule
entry.version type: original

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4444,44,1
type: lacs char
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4444,45,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.y coord val: -1.10

4444,46,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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4444,47,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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4444,48,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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4444,49,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.entity id: 1
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4444,50,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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4444,51,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
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4444,52,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.sf id: 44440101
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lacs char.y coord val: 0.20

4444,53,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
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lacs char.y coord val: 0.25

4444,54,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 54
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
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lacs char.y coord val: 3.68

4444,55,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.id: 55
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
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lacs char.y coord val: 1.76

4444,56,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: -1.55
lacs char.y coord val: -0.55

4444,57,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: 1.06
lacs char.y coord val: 0.45

4444,58,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 58
lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
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lacs char.y coord val: -0.92

4444,59,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
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lacs char.y coord val: -0.71

4444,60,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
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lacs char.y coord val: 2.71

4444,61,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
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4444,62,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.id: 62
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
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lacs char.y coord val: 3.18

4444,63,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 63
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: 7.85
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4444,64,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.id: 64
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: 3.05
lacs char.y coord val: 3.11

4444,65,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: 2.70
lacs char.y coord val: 3.03

4444,66,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.id: 66
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: -6.32
lacs char.y coord val: -4.02

4444,67,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.id: 67
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: -5.87
lacs char.y coord val: -1.17

4444,68,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 68
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: 1.83
lacs char.y coord val: 2.47

4444,69,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.id: 69
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: 0.15
lacs char.y coord val: -0.13

4444,70,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: 1.72
lacs char.y coord val: 1.26

4444,71,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
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lacs char.y coord val: 2.49

4444,72,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: -0.73
lacs char.y coord val: -1.93

4444,73,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
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4444,74,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: PHE
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lacs char.entity id: 1
lacs char.sf id: 44440101
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4444,75,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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4444,76,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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4444,77,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.sf id: 44440101
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4444,78,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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4444,79,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
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4444,80,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.id: 80
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: ALA
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lacs char.entity id: 1
lacs char.sf id: 44440101
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4444,81,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: LEU
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lacs char.entity id: 1
lacs char.sf id: 44440101
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4444,82,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.id: 82
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: ASP
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: -1.02
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4444,83,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: GLU
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lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: 2.57
lacs char.y coord val: 2.50

4444,84,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.id: 84
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: 0.23
lacs char.y coord val: 2.54

4444,85,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: -4.87
lacs char.y coord val: -0.52

4444,86,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.id: 86
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: -4.17
lacs char.y coord val: -1.93

4444,87,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 87
lacs char.lacs plot id: 1
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440101
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lacs char.y coord val: -0.91

4444,88,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 88
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: GLU
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: -1.24
lacs char.y coord val: -0.89

4444,89,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 89
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: VAL
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lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: -3.37
lacs char.y coord val: -0.82

4444,90,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 90
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: ALA
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lacs char.entity id: 1
lacs char.sf id: 44440101
lacs char.x coord val: -0.49
lacs char.y coord val: -0.34

4444,91,1
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 91
lacs char.lacs plot id: 1
lacs char.assembly id: 1
lacs char.comp id: GLU
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4444,92,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.y coord val: -2.70

4444,93,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.y coord val: 4.82

4444,94,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.sf id: 44440102
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lacs char.y coord val: -4.03

4444,95,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.sf id: 44440102
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4444,96,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440102
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lacs char.y coord val: -0.39

4444,97,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 7.85
lacs char.y coord val: -2.74

4444,98,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 3.05
lacs char.y coord val: 0.06

4444,99,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: ASP
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lacs char.entity id: 1
lacs char.sf id: 44440102
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lacs char.y coord val: 0.33

4444,100,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: -6.32
lacs char.y coord val: 2.30

4444,101,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: ASP
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: -5.87
lacs char.y coord val: 4.70

4444,102,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 102
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: MET
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 1.83
lacs char.y coord val: 0.64

4444,103,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 103
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: ASP
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 0.15
lacs char.y coord val: -0.28

4444,104,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 104
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: ASP
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 1.72
lacs char.y coord val: -0.46

4444,105,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 105
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: ASP
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 2.87
lacs char.y coord val: -0.38

4444,106,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 106
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: ASP
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: -0.73
lacs char.y coord val: -1.20

4444,107,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 107
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: LEU
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 3.33
lacs char.y coord val: 0.79

4444,108,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 108
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: PHE
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 6.87
lacs char.y coord val: -2.09

4444,109,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 109
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: GLU
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 3.98
lacs char.y coord val: -0.77

4444,110,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 110
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: LYS
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 5.57
lacs char.y coord val: -2.28

4444,111,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 111
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: ALA
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lacs char.designator: 1
lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 2.93
lacs char.y coord val: -0.17

4444,112,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 112
lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: ALA
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lacs char.designator: 1
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lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: 3.20
lacs char.y coord val: -0.77

4444,113,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 113
lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.designator: 1
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lacs char.entity id: 1
lacs char.sf id: 44440102
lacs char.x coord val: -0.93
lacs char.y coord val: 1.16

4444,114,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
lacs char.id: 114
lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
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lacs char.y coord val: 0.56

4444,115,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: LEU
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lacs char.entity id: 1
lacs char.sf id: 44440102
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4444,116,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: ASP
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lacs char.designator: 1
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lacs char.entity id: 1
lacs char.sf id: 44440102
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lacs char.y coord val: 1.60

4444,117,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: GLU
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
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lacs char.y coord val: -0.07

4444,118,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: ASP
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lacs char.entity assembly id: 1
lacs char.entity id: 1
lacs char.sf id: 44440102
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4444,119,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: TYR
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lacs char.entity id: 1
lacs char.sf id: 44440102
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4444,120,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440102
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lacs char.y coord val: 2.24

4444,121,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440102
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4444,122,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: GLU
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lacs char.entity id: 1
lacs char.sf id: 44440102
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4444,123,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: VAL
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lacs char.entity id: 1
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4444,124,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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4444,125,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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4444,126,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
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4444,127,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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4444,128,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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4444,129,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.entity id: 1
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4444,130,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: GLU
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lacs char.entity id: 1
lacs char.sf id: 44440102
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lacs char.y coord val: -0.86

4444,131,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.sf id: 44440102
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4444,132,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440102
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4444,133,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
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lacs char.lacs plot id: 2
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lacs char.sf id: 44440102
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4444,134,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: GLN
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lacs char.entity id: 1
lacs char.sf id: 44440102
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4444,135,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: TYR
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lacs char.entity id: 1
lacs char.sf id: 44440102
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4444,136,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.entity id: 1
lacs char.sf id: 44440102
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4444,137,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
lacs char.comp id: TRP
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lacs char.entity id: 1
lacs char.sf id: 44440102
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4444,138,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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lacs char.sf id: 44440102
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4444,139,2
type: lacs char
of datablock: info:bmrb/4444
reference to entry: entry
lacs char.entry id: 4444
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lacs char.lacs plot id: 2
lacs char.assembly id: 1
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4444,140,2
type: lacs char
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4444,141,2
type: lacs char
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4444,142,2
type: lacs char
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4444,143,2
type: lacs char
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4444,144,2
type: lacs char
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4444,145,2
type: lacs char
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4444,146,2
type: lacs char
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4444,147,2
type: lacs char
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4444,148,2
type: lacs char
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4444,149,2
type: lacs char
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4444,150,2
type: lacs char
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4444,151,2
type: lacs char
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4444,152,2
type: lacs char
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4444,153,2
type: lacs char
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4444,154,2
type: lacs char
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4444,155,2
type: lacs char
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4444,156,2
type: lacs char
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4444,157,2
type: lacs char
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4444,158,2
type: lacs char
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4444,159,2
type: lacs char
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4444,160,2
type: lacs char
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4444,161,2
type: lacs char
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4444,162,2
type: lacs char
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4444,163,2
type: lacs char
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4444,164,2
type: lacs char
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4444,165,2
type: lacs char
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4444,166,2
type: lacs char
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4444,167,2
type: lacs char
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4444,168,2
type: lacs char
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4444,169,2
type: lacs char
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4444,170,2
type: lacs char
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4444,171,2
type: lacs char
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4444,172,2
type: lacs char
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4444,173,2
type: lacs char
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4444,183,3
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type: lacs char
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4444,189,3
type: lacs char
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4444,190,3
type: lacs char
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4444,191,3
type: lacs char
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4444,192,3
type: lacs char
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4444,193,3
type: lacs char
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4444,194,3
type: lacs char
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4444,195,3
type: lacs char
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4444,196,3
type: lacs char
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4444,197,3
type: lacs char
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4444,198,3
type: lacs char
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4444,199,3
type: lacs char
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4444,200,3
type: lacs char
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4444,201,3
type: lacs char
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4444,202,3
type: lacs char
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4444,203,3
type: lacs char
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4444,204,3
type: lacs char
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4444,205,3
type: lacs char
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4444,206,3
type: lacs char
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4444,207,3
type: lacs char
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4444,208,3
type: lacs char
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4444,209,3
type: lacs char
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4444,210,3
type: lacs char
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4444,211,3
type: lacs char
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4444,212,3
type: lacs char
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4444,213,3
type: lacs char
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4444,214,3
type: lacs char
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4444,215,3
type: lacs char
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4444,216,3
type: lacs char
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4444,217,3
type: lacs char
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4444,218,3
type: lacs char
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4444,219,3
type: lacs char
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4444,220,3
type: lacs char
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4444,221,3
type: lacs char
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type: lacs char
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type: lacs char
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type: lacs char
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4444,225,3
type: lacs char
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type: lacs char
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type: lacs char
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type: lacs char
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type: lacs char
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type: lacs char
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type: lacs char
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type: lacs char
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4444,234,3
type: lacs char
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type: lacs char
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4444,236,3
type: lacs char
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4444,237,3
type: lacs char
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4444,238,3
type: lacs char
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4444,239,3
type: lacs char
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4444,240,3
type: lacs char
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4444,241,3
type: lacs char
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4444,242,3
type: lacs char
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4444,243,3
type: lacs char
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4444,244,3
type: lacs char
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4444,245,3
type: lacs char
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4444,246,3
type: lacs char
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4444,247,3
type: lacs char
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4444,248,3
type: lacs char
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4444,249,3
type: lacs char
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4444,250,3
type: lacs char
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4444,251,3
type: lacs char
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4444,252,3
type: lacs char
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4444,253,3
type: lacs char
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4444,254,3
type: lacs char
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4444,255,3
type: lacs char
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4444,256,3
type: lacs char
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4444,257,3
type: lacs char
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4444,258,3
type: lacs char
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4444,259,3
type: lacs char
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4444,260,3
type: lacs char
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4444,261,3
type: lacs char
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4444,262,3
type: lacs char
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4444,263,3
type: lacs char
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4444,264,3
type: lacs char
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4444,265,3
type: lacs char
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4444,266,3
type: lacs char
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4444,267,3
type: lacs char
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4444,268,3
type: lacs char
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4444,269,3
type: lacs char
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4444,270,3
type: lacs char
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4444,271,3
type: lacs char
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4444,272,3
type: lacs char
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4444,273,4
type: lacs char
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4444,274,4
type: lacs char
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4444,275,4
type: lacs char
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4444,276,4
type: lacs char
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4444,277,4
type: lacs char
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4444,278,4
type: lacs char
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4444,279,4
type: lacs char
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4444,280,4
type: lacs char
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4444,281,4
type: lacs char
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4444,282,4
type: lacs char
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4444,283,4
type: lacs char
of datablock: info:bmrb/4444
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4444,295,4
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4444,305,4
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4444,332,4
type: lacs char
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4444,333,4
type: lacs char
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4444,334,4
type: lacs char
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4444,335,4
type: lacs char
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4444,336,4
type: lacs char
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4444,337,4
type: lacs char
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4444,338,4
type: lacs char
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4444,339,4
type: lacs char
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4444,340,4
type: lacs char
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4444,341,4
type: lacs char
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4444,342,4
type: lacs char
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4444,343,4
type: lacs char
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4444,344,4
type: lacs char
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4444,345,4
type: lacs char
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4444,346,4
type: lacs char
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4444,347,4
type: lacs char
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4444,348,4
type: lacs char
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4444,349,4
type: lacs char
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4444,350,4
type: lacs char
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4444,351,4
type: lacs char
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4444,352,4
type: lacs char
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4444,353,4
type: lacs char
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4444,354,4
type: lacs char
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4444,355,4
type: lacs char
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4444,356,4
type: lacs char
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4444,357,4
type: lacs char
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4444,358,4
type: lacs char
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lacs char.entry id: 4444
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lacs char.sf id: 44440104
lacs char.x coord val: -1.55
lacs char.y coord val: -0.97

4444,1
type: lacs plot
of datablock: info:bmrb/4444
reference to entry: entry
lacs plot.entry id: 4444
lacs plot.id: 1
lacs plot.electronic address: https://bmrb.pdbj.org/ftp/pub/bmrb/validation_reports/LACS/bmr4444_LACS.str
lacs plot.input file name: bmr4444_21.str
lacs plot.line 1 terminator val x 1: -6.82
lacs plot.line 1 terminator val x 2: 2.00
lacs plot.line 1 terminator val y 1: -2.62
lacs plot.line 1 terminator val y 2: 0.65
lacs plot.line 2 terminator val x 1: -2.00
lacs plot.line 2 terminator val x 2: 7.85
lacs plot.line 2 terminator val y 1: -1.04
lacs plot.line 2 terminator val y 2: 5.58
lacs plot.output file name: bmr4444_LACS.str
lacs plot.queried date: 2021-09-30Z
lacs plot.sf category: LACS_plot
lacs plot.sf framecode: LACS_CACB_CA_output
lacs plot.sf id: 44440101
lacs plot.source release date: 2015-10-20Z
lacs plot.x coord name: CA-CB
lacs plot.y axis chem shift offset: -0.11
lacs plot.y coord name: CA

4444,2
type: lacs plot
of datablock: info:bmrb/4444
reference to entry: entry
lacs plot.entry id: 4444
lacs plot.id: 2
lacs plot.electronic address: https://bmrb.pdbj.org/ftp/pub/bmrb/validation_reports/LACS/bmr4444_LACS.str
lacs plot.input file name: bmr4444_21.str
lacs plot.line 1 terminator val x 1: -6.82
lacs plot.line 1 terminator val x 2: 2.00
lacs plot.line 1 terminator val y 1: 4.20
lacs plot.line 1 terminator val y 2: -1.35
lacs plot.line 2 terminator val x 1: -2.00
lacs plot.line 2 terminator val x 2: 7.85
lacs plot.line 2 terminator val y 1: 0.96
lacs plot.line 2 terminator val y 2: -2.27
lacs plot.output file name: bmr4444_LACS.str
lacs plot.queried date: 2021-09-30Z
lacs plot.sf category: LACS_plot
lacs plot.sf framecode: LACS_CACB_CB_output
lacs plot.sf id: 44440102
lacs plot.source release date: 2015-10-20Z
lacs plot.x coord name: CA-CB
lacs plot.y axis chem shift offset: -0.11
lacs plot.y coord name: CB

4444,3
type: lacs plot
of datablock: info:bmrb/4444
reference to entry: entry
lacs plot.entry id: 4444
lacs plot.id: 3
lacs plot.electronic address: https://bmrb.pdbj.org/ftp/pub/bmrb/validation_reports/LACS/bmr4444_LACS.str
lacs plot.input file name: bmr4444_21.str
lacs plot.line 1 terminator val x 1: -6.82
lacs plot.line 1 terminator val x 2: 2.00
lacs plot.line 1 terminator val y 1: 0.85
lacs plot.line 1 terminator val y 2: -0.16
lacs plot.line 2 terminator val x 1: -2.00
lacs plot.line 2 terminator val x 2: 7.85
lacs plot.line 2 terminator val y 1: 0.32
lacs plot.line 2 terminator val y 2: -0.87
lacs plot.output file name: bmr4444_LACS.str
lacs plot.queried date: 2021-09-30Z
lacs plot.sf category: LACS_plot
lacs plot.sf framecode: LACS_CACB_HA_output
lacs plot.sf id: 44440103
lacs plot.source release date: 2015-10-20Z
lacs plot.x coord name: CA-CB
lacs plot.y axis chem shift offset: -0.08
lacs plot.y coord name: HA

4444,4
type: lacs plot
of datablock: info:bmrb/4444
reference to entry: entry
lacs plot.entry id: 4444
lacs plot.id: 4
lacs plot.electronic address: https://bmrb.pdbj.org/ftp/pub/bmrb/validation_reports/LACS/bmr4444_LACS.str
lacs plot.input file name: bmr4444_21.str
lacs plot.line 1 terminator val x 1: -6.82
lacs plot.line 1 terminator val x 2: 2.00
lacs plot.line 1 terminator val y 1: -2.21
lacs plot.line 1 terminator val y 2: 0.84
lacs plot.line 2 terminator val x 1: -2.00
lacs plot.line 2 terminator val x 2: 7.85
lacs plot.line 2 terminator val y 1: -0.47
lacs plot.line 2 terminator val y 2: 2.66
lacs plot.output file name: bmr4444_LACS.str
lacs plot.queried date: 2021-09-30Z
lacs plot.sf category: LACS_plot
lacs plot.sf framecode: LACS_CACB_CO_output
lacs plot.sf id: 44440104
lacs plot.source release date: 2015-10-20Z
lacs plot.x coord name: CA-CB
lacs plot.y axis chem shift offset: -0.16
lacs plot.y coord name: CO

4444,1
type: nmr spec expt
of datablock: info:bmrb/4444
reference to entry: entry
nmr spec expt.entry id: 4444
nmr spec expt.id: 1
nmr spec expt.details: HNCO HNCA HNCACB CBCA(CO)NH HNHA HBHA(CO)NH HCCH-COSY HCCH-TOCSY 1H-15N-HSQC 1H-13C CT-HSQC
nmr spec expt.method id: 0
nmr spec expt.name: na
nmr spec expt.nmr spectrometer id: 1
nmr spec expt.nmr spectrometer label: NMR_spectrometer
nmr spec expt.nmr spectrometer probe id: 0
nmr spec expt.sf category: NMR_spectrometer_expt
nmr spec expt.sf framecode: NMR_applied_experiment
nmr spec expt.software id: 1
nmr spec expt.software label: NMRView

4444,1
type: nmr spectrometer
of datablock: info:bmrb/4444
reference to entry: entry
nmr spectrometer.entry id: 4444
nmr spectrometer.id: 1
nmr spectrometer.field strength: 600
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: DRX
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: NMR_spectrometer

4444,1
type: nmr spectrometer list
of datablock: info:bmrb/4444
reference to entry: entry
nmr spectrometer list.entry id: 4444
nmr spectrometer list.id: 1
nmr spectrometer list.sf category: NMR_spectrometer_list
nmr spectrometer list.sf framecode: spectrometer_list

4444,1,NMR spectrometer,1
type: nmr spectrometer view
of datablock: info:bmrb/4444
nmr spectrometer view.entry id: 4444
nmr spectrometer view.id: 1
nmr spectrometer view.name: NMR_spectrometer
nmr spectrometer view.nmr spectrometer list id: 1
nmr spectrometer view.citation id: 0
nmr spectrometer view.field strength: 600
nmr spectrometer view.manufacturer: Bruker
nmr spectrometer view.model: DRX

4444,2
type: release
of datablock: info:bmrb/4444
reference to entry: entry
release.entry id: 4444
release.release number: 2
release.author: BMRB
release.date: 2008-07-27Z
release.detail: Updating non-standard residue
release.submission date: 1999-10-19Z
release.type: update

4444,1
type: release
of datablock: info:bmrb/4444
reference to entry: entry
release.entry id: 4444
release.release number: 1
release.author: author
release.date: 2000-04-02Z
release.submission date: 1999-10-19Z
release.type: original

4444,1
type: sample
of datablock: info:bmrb/4444
reference to entry: entry
sample.entry id: 4444
sample.id: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_1
sample.type: solution

4444,2
type: sample
of datablock: info:bmrb/4444
reference to entry: entry
sample.entry id: 4444
sample.id: 2
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_2
sample.type: solution

4444,3
type: sample
of datablock: info:bmrb/4444
reference to entry: entry
sample.entry id: 4444
sample.id: 3
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_3
sample.type: solution

4444,1,1
type: sample component
of datablock: info:bmrb/4444
sample component.entry id: 4444
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 0.9
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: HsFdx
sample component.isotopic labeling: [U-99% 13C; U-99% 15N]
sample component.mol common name: halobacterium salinarum ferredoxin

4444,2,2
type: sample component
of datablock: info:bmrb/4444
sample component.entry id: 4444
sample component.id: 2
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 1.0
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: HsFdx
sample component.isotopic labeling: [U-99% 15N]
sample component.mol common name: halobacterium salinarum ferredoxin

4444,3,3
type: sample component
of datablock: info:bmrb/4444
sample component.entry id: 4444
sample component.id: 3
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 0.8
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: HsFdx
sample component.mol common name: halobacterium salinarum ferredoxin

4444,1
type: sample condition list
of datablock: info:bmrb/4444
reference to entry: entry
sample condition list.entry id: 4444
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: Ex-cond_1

4444,1,pH
type: sample condition variable
of datablock: info:bmrb/4444
sample condition variable.entry id: 4444
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 6.5
sample condition variable.val err: 0.2

4444,1,temperature
type: sample condition variable
of datablock: info:bmrb/4444
sample condition variable.entry id: 4444
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 288
sample condition variable.val err: 1
sample condition variable.val units: K

4444,1
type: software
of datablock: info:bmrb/4444
reference to entry: entry
software.entry id: 4444
software.id: 1
software.name: NMRView
software.sf category: software
software.sf framecode: NMRView
software.version: 4.0.1

4444,1,spectrum visualization for resonance assignments
type: task
of datablock: info:bmrb/4444
task.entry id: 4444
task.software id: 1
task.task: spectrum visualization for resonance assignments