info:bmrb/50411
type: datablock
references: doi:10.13018/BMR50411
alternative label: bmr50411
title: EmrE S64V Mutant Bound to tetra(4-fluorophenyl)phosphonium at pH 5.8
datablock name: 50411
has assembly category: assemblyCategory
has assigned chem shift list category: assigned chem shift listCategory
has atom chem shift category: atom chem shiftCategory
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 chem shift software category: chem shift softwareCategory
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 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 entity systematic name category: entity systematic nameCategory
has entry category: entryCategory
has entry author category: entry authorCategory
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has experiment list category: experiment listCategory
has nmr spectrometer category: nmr spectrometerCategory
has related entries category: related entriesCategory
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

50411,1
type: assembly
of datablock: info:bmrb/50411
reference to entry: entry
assembly.entry id: 50411
assembly.id: 1
assembly.ambiguous conformational states: no
assembly.details: The ligand is F4TPP, C24H16P1F4; tetra(4-fluorophenyl)phosphonium. phosphonium ion, with para-fluorophenyl substituents.
assembly.metal ions: 0
assembly.molecules in chemical exchange: no
assembly.name: Asymmetric Homodimer bound with Ligand
assembly.non standard bonds: no
assembly.number of components: 3
assembly.organic ligands: 1
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: assembly_1

50411,1
type: assigned chem shift list
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assigned chem shift list.chem shift reference label: chem_shift_reference_1
assigned chem shift list.error derivation method: Linewidth
assigned chem shift list.name: EmrE S64V Solid State Chemical Shifts
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: sample_conditions_1
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: assigned_chemical_shifts_1

1,50411,1
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atom chem shift.val err: 0

1,50411,2
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atom chem shift.val err: 0

1,50411,3
type: atom chem shift
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1,50411,4
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atom chem shift.val: 178.12
atom chem shift.val err: 0.07

1,50411,5
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atom chem shift.val err: 0.14

1,50411,6
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atom chem shift.val err: 0

1,50411,7
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atom chem shift.val: 115.739
atom chem shift.val err: 0.25

1,50411,8
type: atom chem shift
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1,50411,9
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1,50411,10
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1,50411,11
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1,50411,12
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1,50411,13
type: atom chem shift
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1,50411,14
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1,50411,15
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1,50411,16
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1,50411,17
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1,50411,18
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1,50411,19
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1,50411,20
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1,50411,21
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1,50411,22
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1,50411,23
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1,50411,24
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1,50411,25
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1,50411,26
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1,50411,27
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1,50411,28
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1,50411,29
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1,50411,30
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atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 10
atom chem shift.comp id: ALA
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 125.423
atom chem shift.val err: 0.09

1,50411,34
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 34
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 7.326
atom chem shift.val err: 0.01

1,50411,35
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 35
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 177.317
atom chem shift.val err: 0.11

1,50411,36
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 36
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 64.39
atom chem shift.val err: 0.16

1,50411,37
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 37
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 36.666
atom chem shift.val err: 0

1,50411,38
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 38
atom chem shift.ambiguity code: 1
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.auth atom id: CG1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 28.735
atom chem shift.val err: 0

1,50411,39
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 39
atom chem shift.ambiguity code: 1
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.auth atom id: CG2
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 17.052
atom chem shift.val err: 0

1,50411,40
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 40
atom chem shift.ambiguity code: 1
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.auth atom id: CD1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 12.554
atom chem shift.val err: 0

1,50411,41
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 41
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 11
atom chem shift.comp id: ILE
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 119.091
atom chem shift.val err: 0.05

1,50411,42
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 42
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
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: 7.477
atom chem shift.val err: 0.01

1,50411,43
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 43
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
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: 177.699
atom chem shift.val err: 0.05

1,50411,44
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 44
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
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: 57.351
atom chem shift.val err: 0.07

1,50411,45
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 45
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
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: 41.529
atom chem shift.val err: 0

1,50411,46
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 46
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 12
atom chem shift.comp id: LEU
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: 117.408
atom chem shift.val err: 0.09

1,50411,47
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 47
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 13
atom chem shift.comp id: ALA
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 8.237
atom chem shift.val err: 0.01

1,50411,48
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 48
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 13
atom chem shift.comp id: ALA
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 179.324
atom chem shift.val err: 0.24

1,50411,49
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 49
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 13
atom chem shift.comp id: ALA
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 55.278
atom chem shift.val err: 0.14

1,50411,50
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 50
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 13
atom chem shift.comp id: ALA
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 18.831
atom chem shift.val err: 0.02

1,50411,51
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 51
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 13
atom chem shift.comp id: ALA
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 117.463
atom chem shift.val err: 0.1

1,50411,52
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 52
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 14
atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 7.497
atom chem shift.val err: 0.01

1,50411,53
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 53
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 14
atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 177.58
atom chem shift.val err: 0.32

1,50411,54
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 54
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 14
atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 61.056
atom chem shift.val err: 0.09

1,50411,55
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 55
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 14
atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 30.27
atom chem shift.val err: 0

1,50411,56
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 56
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 14
atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 35.931
atom chem shift.val err: 0

1,50411,57
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 57
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 14
atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 179.5
atom chem shift.val err: 0

1,50411,58
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 58
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 14
atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 117.998
atom chem shift.val err: 0.21

1,50411,59
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 59
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 15
atom chem shift.comp id: VAL
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 8.514
atom chem shift.val err: 0.01

1,50411,60
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 60
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 15
atom chem shift.comp id: VAL
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 180.776
atom chem shift.val err: 0.07

1,50411,61
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 61
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 15
atom chem shift.comp id: VAL
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 65.419
atom chem shift.val err: 0.11

1,50411,62
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 62
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 15
atom chem shift.comp id: VAL
atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 15
atom chem shift.val: 114.341
atom chem shift.val err: 0.1

1,50411,63
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 63
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 16
atom chem shift.comp id: ILE
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 7.881
atom chem shift.val err: 0.02

1,50411,64
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 64
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 16
atom chem shift.comp id: ILE
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 177.851
atom chem shift.val err: 0.15

1,50411,65
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 65
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 16
atom chem shift.comp id: ILE
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 65.59
atom chem shift.val err: 0.1

1,50411,66
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 66
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 16
atom chem shift.comp id: ILE
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 36.716
atom chem shift.val err: 0

1,50411,67
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 67
atom chem shift.ambiguity code: 1
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.auth atom id: CG1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 16
atom chem shift.comp id: ILE
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 28.707
atom chem shift.val err: 0

1,50411,68
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 68
atom chem shift.ambiguity code: 1
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.auth atom id: CG2
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 16
atom chem shift.comp id: ILE
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 17.447
atom chem shift.val err: 0

1,50411,69
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 69
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 16
atom chem shift.comp id: ILE
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 122.13
atom chem shift.val err: 0.16

1,50411,70
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 70
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 17
atom chem shift.comp id: GLY
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: 8.275
atom chem shift.val err: 0.03

1,50411,71
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 71
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 17
atom chem shift.comp id: GLY
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: 175.392
atom chem shift.val err: 0.03

1,50411,72
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 72
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 17
atom chem shift.comp id: GLY
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: 48.224
atom chem shift.val err: 0.08

1,50411,73
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 73
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 17
atom chem shift.comp id: GLY
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: 111.228
atom chem shift.val err: 0.05

1,50411,74
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 74
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 18
atom chem shift.comp id: THR
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: 10.386
atom chem shift.val err: 0.02

1,50411,75
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 75
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 18
atom chem shift.comp id: THR
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: 176.282
atom chem shift.val err: 0.18

1,50411,76
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 76
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 18
atom chem shift.comp id: THR
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: 65.784
atom chem shift.val err: 0.11

1,50411,77
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 77
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 18
atom chem shift.comp id: THR
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: 67.628
atom chem shift.val err: 0

1,50411,78
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 78
atom chem shift.ambiguity code: 1
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.auth atom id: CG
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 18
atom chem shift.comp id: THR
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: 23.258
atom chem shift.val err: 0

1,50411,79
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 79
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 18
atom chem shift.comp id: THR
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: 123.509
atom chem shift.val err: 0.16

1,50411,80
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 80
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 19
atom chem shift.comp id: THR
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: 7.455
atom chem shift.val err: 0.01

1,50411,81
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 81
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 19
atom chem shift.comp id: THR
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: 177.041
atom chem shift.val err: 0.08

1,50411,82
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 82
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 19
atom chem shift.comp id: THR
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: 67.518
atom chem shift.val err: 0.1

1,50411,83
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 83
atom chem shift.ambiguity code: 1
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.auth atom id: CG
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 19
atom chem shift.comp id: THR
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: 20.699
atom chem shift.val err: 0

1,50411,84
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 84
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 19
atom chem shift.comp id: THR
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: 120.807
atom chem shift.val err: 0.22

1,50411,85
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 85
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 20
atom chem shift.comp id: LEU
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: 8.423
atom chem shift.val err: 0.02

1,50411,86
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 86
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 20
atom chem shift.comp id: LEU
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: 178.635
atom chem shift.val err: 0.03

1,50411,87
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 87
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 20
atom chem shift.comp id: LEU
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: 58.088
atom chem shift.val err: 0.06

1,50411,88
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 88
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 20
atom chem shift.comp id: LEU
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: 121.662
atom chem shift.val err: 0.13

1,50411,89
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 89
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 21
atom chem shift.comp id: MET
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: 8.454
atom chem shift.val err: 0.02

1,50411,90
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 90
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 21
atom chem shift.comp id: MET
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: 181.803
atom chem shift.val err: 0.22

1,50411,91
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 91
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 21
atom chem shift.comp id: MET
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: 58.474
atom chem shift.val err: 0.1

1,50411,92
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 92
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 21
atom chem shift.comp id: MET
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: 31.073
atom chem shift.val err: 0

1,50411,93
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 93
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 21
atom chem shift.comp id: MET
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: 32.914
atom chem shift.val err: 0

1,50411,94
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 94
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 21
atom chem shift.comp id: MET
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: 121.14
atom chem shift.val err: 0.12

1,50411,95
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 95
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 22
atom chem shift.comp id: LYS
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: 7.258
atom chem shift.val err: 0.02

1,50411,96
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 96
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 22
atom chem shift.comp id: LYS
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: 178.721
atom chem shift.val err: 0.01

1,50411,97
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 97
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
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: 59.507
atom chem shift.val err: 0.05

1,50411,98
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 98
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 22
atom chem shift.comp id: LYS
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: 30.976
atom chem shift.val err: 0

1,50411,99
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 99
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 22
atom chem shift.comp id: LYS
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: 124.854
atom chem shift.val err: 0.08

1,50411,100
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 100
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: PHE
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atom chem shift.comp id: PHE
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 176.32
atom chem shift.val err: 0

1,50411,101
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 101
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: PHE
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atom chem shift.comp id: PHE
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 59.746
atom chem shift.val err: 0

1,50411,102
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 102
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 24
atom chem shift.comp id: SER
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 7.726
atom chem shift.val err: 0.01

1,50411,103
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 103
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 24
atom chem shift.comp id: SER
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 173.344
atom chem shift.val err: 0.03

1,50411,104
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 104
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 24
atom chem shift.comp id: SER
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 60.43
atom chem shift.val err: 0.15

1,50411,105
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 105
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 24
atom chem shift.comp id: SER
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 63.881
atom chem shift.val err: 0

1,50411,106
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 106
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 24
atom chem shift.comp id: SER
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 113.008
atom chem shift.val err: 0.16

1,50411,107
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 107
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 7.376
atom chem shift.val err: 0.01

1,50411,108
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 108
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 177.93
atom chem shift.val err: 0.01

1,50411,109
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 109
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 55.928
atom chem shift.val err: 0.11

1,50411,110
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 110
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 26.497
atom chem shift.val err: 0

1,50411,111
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 111
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 35.571
atom chem shift.val err: 0

1,50411,112
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 112
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 120.285
atom chem shift.val err: 0.1

1,50411,113
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 113
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 26
atom chem shift.comp id: GLY
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 9.076
atom chem shift.val err: 0.02

1,50411,114
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 114
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 26
atom chem shift.comp id: GLY
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 175.015
atom chem shift.val err: 0.05

1,50411,115
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 115
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 26
atom chem shift.comp id: GLY
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 46.2
atom chem shift.val err: 0.19

1,50411,116
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 116
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 26
atom chem shift.comp id: GLY
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 111.763
atom chem shift.val err: 0.14

1,50411,117
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 117
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 27
atom chem shift.comp id: PHE
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 7.731
atom chem shift.val err: 0.03

1,50411,118
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 118
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 27
atom chem shift.comp id: PHE
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 173.666
atom chem shift.val err: 0.05

1,50411,119
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 119
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 27
atom chem shift.comp id: PHE
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 60.154
atom chem shift.val err: 0

1,50411,120
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 120
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 27
atom chem shift.comp id: PHE
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 112.84
atom chem shift.val err: 0.09

1,50411,121
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 121
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 7.256
atom chem shift.val err: 0.07

1,50411,122
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 122
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 174.942
atom chem shift.val err: 0.09

1,50411,123
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 123
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 61.688
atom chem shift.val err: 0.11

1,50411,124
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 124
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 70.314
atom chem shift.val err: 0.02

1,50411,125
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 125
atom chem shift.ambiguity code: 1
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.auth atom id: CG
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 20.965
atom chem shift.val err: 0

1,50411,126
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 126
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 100.945
atom chem shift.val err: 0.06

1,50411,127
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 127
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 29
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 7.164
atom chem shift.val err: 0.02

1,50411,128
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 128
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 29
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 177.876
atom chem shift.val err: 0.07

1,50411,129
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 129
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 29
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 53.892
atom chem shift.val err: 0.13

1,50411,130
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 130
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ARG
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 31.202
atom chem shift.val err: 0

1,50411,131
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 131
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 29
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 26.493
atom chem shift.val err: 0

1,50411,132
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 132
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 29
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 42.835
atom chem shift.val err: 0

1,50411,133
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 133
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 29
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 118.74
atom chem shift.val err: 0.08

1,50411,134
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 134
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 30
atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 8.944
atom chem shift.val err: 0.02

1,50411,135
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 135
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 30
atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 177.035
atom chem shift.val err: 0.05

1,50411,136
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 136
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 30
atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 59.706
atom chem shift.val err: 0.1

1,50411,137
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 137
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 30
atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 41.698
atom chem shift.val err: 0

1,50411,138
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 138
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 30
atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 26.32
atom chem shift.val err: 0

1,50411,139
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 139
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
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atom chem shift.auth atom id: CD1
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 30
atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 24.854
atom chem shift.val err: 0

1,50411,140
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 140
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 22.785
atom chem shift.val err: 0

1,50411,141
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 141
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 30
atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 130.377
atom chem shift.val err: 0.15

1,50411,142
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 142
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 31
atom chem shift.comp id: TRP
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 9.098
atom chem shift.val err: 0.04

1,50411,143
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 143
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 31
atom chem shift.comp id: TRP
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 177.205
atom chem shift.val err: 0

1,50411,144
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 144
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 31
atom chem shift.comp id: TRP
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 61.553
atom chem shift.val err: 0

1,50411,145
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 145
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 31
atom chem shift.comp id: TRP
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 118.481
atom chem shift.val err: 0.1

1,50411,146
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 146
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 32
atom chem shift.comp id: PRO
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: 178.754
atom chem shift.val err: 0

1,50411,147
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 147
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 33
atom chem shift.comp id: SER
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: 6.928
atom chem shift.val err: 0.02

1,50411,148
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 148
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 33
atom chem shift.comp id: SER
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: 174.95
atom chem shift.val err: 0.27

1,50411,149
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 149
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 33
atom chem shift.comp id: SER
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: 63.984
atom chem shift.val err: 0.06

1,50411,150
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 150
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 33
atom chem shift.comp id: SER
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: 62.352
atom chem shift.val err: 0

1,50411,151
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 151
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 33
atom chem shift.comp id: SER
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: 113.635
atom chem shift.val err: 0.08

1,50411,152
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 152
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 34
atom chem shift.comp id: VAL
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: 8.118
atom chem shift.val err: 0.04

1,50411,153
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 153
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 34
atom chem shift.comp id: VAL
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: 178.103
atom chem shift.val err: 0.02

1,50411,154
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 154
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 34
atom chem shift.comp id: VAL
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: 66.652
atom chem shift.val err: 0.07

1,50411,155
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 155
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 34
atom chem shift.comp id: VAL
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: 31.503
atom chem shift.val err: 0

1,50411,156
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 156
atom chem shift.ambiguity code: 1
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.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 34
atom chem shift.comp id: VAL
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: 22.66
atom chem shift.val err: 0

1,50411,157
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 157
atom chem shift.ambiguity code: 1
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.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 34
atom chem shift.comp id: VAL
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: 21.33
atom chem shift.val err: 0

1,50411,158
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 158
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 34
atom chem shift.comp id: VAL
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: 121.417
atom chem shift.val err: 0.13

1,50411,159
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 159
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLY
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: 8.421
atom chem shift.val err: 0.02

1,50411,160
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 160
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLY
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: 174.56
atom chem shift.val err: 0.02

1,50411,161
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 161
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLY
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: 48.053
atom chem shift.val err: 0.19

1,50411,162
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 162
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLY
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: 103.93
atom chem shift.val err: 0.08

1,50411,163
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 163
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 36
atom chem shift.comp id: THR
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 7.947
atom chem shift.val err: 0.02

1,50411,164
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 164
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 36
atom chem shift.comp id: THR
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 174.928
atom chem shift.val err: 0.13

1,50411,165
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 165
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 36
atom chem shift.comp id: THR
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 68.661
atom chem shift.val err: 0.1

1,50411,166
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 166
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 36
atom chem shift.comp id: THR
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 120.462
atom chem shift.val err: 0.11

1,50411,167
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 167
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 37
atom chem shift.comp id: ILE
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: 7.342
atom chem shift.val err: 0.02

1,50411,168
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 168
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 37
atom chem shift.comp id: ILE
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: 178.09
atom chem shift.val err: 0.14

1,50411,169
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 169
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 37
atom chem shift.comp id: ILE
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: 65.535
atom chem shift.val err: 0.17

1,50411,170
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 170
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 37
atom chem shift.comp id: ILE
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: 38.01
atom chem shift.val err: 0

1,50411,171
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 171
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 37
atom chem shift.comp id: ILE
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: 118.524
atom chem shift.val err: 0.04

1,50411,172
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 172
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 38
atom chem shift.comp id: ILE
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: 8.038
atom chem shift.val err: 0.03

1,50411,173
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 173
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 38
atom chem shift.comp id: ILE
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: 177.881
atom chem shift.val err: 0.38

1,50411,174
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 174
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 38
atom chem shift.comp id: ILE
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: 65.814
atom chem shift.val err: 0.07

1,50411,175
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 175
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 38
atom chem shift.comp id: ILE
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: 37.722
atom chem shift.val err: 0

1,50411,176
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 176
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 38
atom chem shift.comp id: ILE
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: 118.69
atom chem shift.val err: 0.12

1,50411,177
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 177
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 39
atom chem shift.comp id: CYS
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: 7.819
atom chem shift.val err: 0.03

1,50411,178
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: CYS
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: 177.204
atom chem shift.val err: 0.07

1,50411,179
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 179
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atom chem shift.comp id: CYS
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: 65.336
atom chem shift.val err: 0.05

1,50411,180
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: CYS
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: 26.316
atom chem shift.val err: 0

1,50411,181
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.comp id: CYS
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: 116.055
atom chem shift.val err: 0.2

1,50411,182
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp id: TYR
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 40
atom chem shift.val: 8.599
atom chem shift.val err: 0.02

1,50411,183
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 183
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atom chem shift.comp id: TYR
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 40
atom chem shift.val: 178.518
atom chem shift.val err: 0

1,50411,184
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: TYR
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 40
atom chem shift.val: 57.744
atom chem shift.val err: 0

1,50411,185
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.auth comp id: TYR
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atom chem shift.comp id: TYR
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: 119.178
atom chem shift.val err: 0.03

1,50411,186
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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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: 42
atom chem shift.val: 178.424
atom chem shift.val err: 0

1,50411,187
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 42
atom chem shift.val: 55.278
atom chem shift.val err: 0

1,50411,188
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.225
atom chem shift.val err: 0.02

1,50411,189
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: SER
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 177.022
atom chem shift.val err: 0.09

1,50411,190
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 190
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 62.832
atom chem shift.val err: 0.12

1,50411,191
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 191
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth comp id: SER
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atom chem shift.comp id: SER
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 112.157
atom chem shift.val err: 0.09

1,50411,192
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 192
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 180.292
atom chem shift.val err: 0

1,50411,193
type: atom chem shift
of datablock: info:bmrb/50411
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: 55.364
atom chem shift.val err: 0

1,50411,194
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 6.913
atom chem shift.val err: 0.02

1,50411,195
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 177.545
atom chem shift.val err: 0

1,50411,196
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 55.98
atom chem shift.val err: 0.07

1,50411,197
type: atom chem shift
of datablock: info:bmrb/50411
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: 26.448
atom chem shift.val err: 0

1,50411,198
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.val: 31.495
atom chem shift.val err: 0

1,50411,199
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp id: GLN
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 113.415
atom chem shift.val err: 0.16

1,50411,200
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 176.198
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1,50411,201
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0

1,50411,202
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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1,50411,203
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 177.804
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1,50411,204
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ALA
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atom chem shift.val: 53.114
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1,50411,205
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 17.373
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1,50411,206
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 118.336
atom chem shift.val err: 0.21

1,50411,207
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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1,50411,208
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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1,50411,209
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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1,50411,210
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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1,50411,211
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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1,50411,212
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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1,50411,213
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 213
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atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: TYR
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
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atom chem shift.val: 112.428
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1,50411,214
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 177.786
atom chem shift.val err: 0

1,50411,215
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 215
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: PRO
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 62.613
atom chem shift.val err: 0

1,50411,216
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 216
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.auth atom id: H
atom chem shift.auth comp id: THR
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atom chem shift.comp id: THR
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: 8.231
atom chem shift.val err: 0.01

1,50411,217
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 217
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.comp id: THR
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: 175.881
atom chem shift.val err: 0.12

1,50411,218
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 218
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atom chem shift.assembly atom id: 0
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atom chem shift.comp id: THR
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: 66.164
atom chem shift.val err: 0.07

1,50411,219
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 219
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atom chem shift.assembly atom id: 0
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atom chem shift.comp id: THR
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: 68.313
atom chem shift.val err: 0

1,50411,220
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: THR
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: 21.797
atom chem shift.val err: 0

1,50411,221
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 221
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth seq id: 56
atom chem shift.comp id: THR
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: 119.148
atom chem shift.val err: 0.12

1,50411,222
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 222
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
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: 8.667
atom chem shift.val err: 0.01

1,50411,223
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 223
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 57
atom chem shift.comp id: GLY
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: 176.007
atom chem shift.val err: 0.02

1,50411,224
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 224
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
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: 46.849
atom chem shift.val err: 0.02

1,50411,225
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 225
atom chem shift.ambiguity code: 1
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
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atom chem shift.auth seq id: 57
atom chem shift.comp id: GLY
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: 106.834
atom chem shift.val err: 0.04

1,50411,226
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 226
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 58
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 6.562
atom chem shift.val err: 0.01

1,50411,227
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 227
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 58
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 177.163
atom chem shift.val err: 0.06

1,50411,228
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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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.seq id: 58
atom chem shift.val: 64.271
atom chem shift.val err: 0.09

1,50411,229
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 229
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 58
atom chem shift.val: 36.76
atom chem shift.val err: 0

1,50411,230
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
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
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atom chem shift.seq id: 58
atom chem shift.val: 28.915
atom chem shift.val err: 0

1,50411,231
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 231
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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
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atom chem shift.seq id: 58
atom chem shift.val: 17.381
atom chem shift.val err: 0

1,50411,232
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
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
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atom chem shift.val: 119.84
atom chem shift.val err: 0.16

1,50411,233
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 233
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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: 7.233
atom chem shift.val err: 0.01

1,50411,234
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 234
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 177.971
atom chem shift.val err: 0.03

1,50411,235
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 55.523
atom chem shift.val err: 0.1

1,50411,236
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
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
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atom chem shift.val: 120.073
atom chem shift.val err: 0.05

1,50411,237
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp id: TYR
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.574
atom chem shift.val err: 0.02

1,50411,238
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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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: 60
atom chem shift.val: 177.628
atom chem shift.val err: 0.03

1,50411,239
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 60.776
atom chem shift.val err: 0.14

1,50411,240
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp id: TYR
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 37.327
atom chem shift.val err: 0

1,50411,241
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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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: 60
atom chem shift.val: 131.725
atom chem shift.val err: 0

1,50411,242
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 117.167
atom chem shift.val err: 0.06

1,50411,243
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.711
atom chem shift.val err: 0.03

1,50411,244
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 179.053
atom chem shift.val err: 0.08

1,50411,245
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 55.508
atom chem shift.val err: 0.07

1,50411,246
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 61
atom chem shift.comp id: ALA
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 61
atom chem shift.val: 117.842
atom chem shift.val err: 0.16

1,50411,247
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 247
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.729
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1,50411,248
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 176.642
atom chem shift.val err: 0.08

1,50411,249
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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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: 62
atom chem shift.val: 65.516
atom chem shift.val err: 0.08

1,50411,250
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 38.199
atom chem shift.val err: 0

1,50411,251
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 251
atom chem shift.ambiguity code: 1
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.auth atom id: CG1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 22.634
atom chem shift.val err: 7.59

1,50411,252
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 252
atom chem shift.ambiguity code: 1
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.auth atom id: CG2
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 17.186
atom chem shift.val err: 0

1,50411,253
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 253
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 114.655
atom chem shift.val err: 0.12

1,50411,254
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 254
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 8.465
atom chem shift.val err: 0.01

1,50411,255
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 255
atom chem shift.ambiguity code: 1
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.auth atom id: HE1
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 11.453
atom chem shift.val err: 0

1,50411,256
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 256
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 180.517
atom chem shift.val err: 0

1,50411,257
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 257
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 59.863
atom chem shift.val err: 0.05

1,50411,258
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 258
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 28.031
atom chem shift.val err: 0

1,50411,259
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 259
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 113.249
atom chem shift.val err: 0

1,50411,260
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 260
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 121.643
atom chem shift.val err: 0.08

1,50411,261
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 261
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NE1
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NE1
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 132.269
atom chem shift.val err: 0

1,50411,262
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 262
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 64
atom chem shift.comp id: VAL
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 177.55
atom chem shift.val err: 0

1,50411,263
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 263
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 7.692
atom chem shift.val err: 0.03

1,50411,264
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 264
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 173.595
atom chem shift.val err: 0

1,50411,265
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 265
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 47.772
atom chem shift.val err: 0

1,50411,266
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 266
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 103.531
atom chem shift.val err: 0.06

1,50411,267
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 267
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 178.119
atom chem shift.val err: 0

1,50411,268
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 268
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 65.667
atom chem shift.val err: 0

1,50411,269
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 269
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLY
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 9.004
atom chem shift.val err: 0.01

1,50411,270
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 270
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLY
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 175.976
atom chem shift.val err: 0.07

1,50411,271
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 271
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLY
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 47.114
atom chem shift.val err: 0.06

1,50411,272
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 272
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLY
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 110.106
atom chem shift.val err: 0.04

1,50411,273
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 273
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 68
atom chem shift.comp id: ILE
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 8.214
atom chem shift.val err: 0.01

1,50411,274
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 274
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 68
atom chem shift.comp id: ILE
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 179.088
atom chem shift.val err: 0

1,50411,275
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 275
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 68
atom chem shift.comp id: ILE
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 65.632
atom chem shift.val err: 0

1,50411,276
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 276
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 68
atom chem shift.comp id: ILE
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 37.938
atom chem shift.val err: 0

1,50411,277
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 277
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 68
atom chem shift.comp id: ILE
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 118.071
atom chem shift.val err: 0.14

1,50411,278
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 278
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 8.594
atom chem shift.val err: 0.02

1,50411,279
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 279
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 177.148
atom chem shift.val err: 0.18

1,50411,280
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 280
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 67.893
atom chem shift.val err: 0.2

1,50411,281
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 281
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 31.209
atom chem shift.val err: 0

1,50411,282
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 282
atom chem shift.ambiguity code: 1
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.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 21.752
atom chem shift.val err: 0

1,50411,283
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 283
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 117.002
atom chem shift.val err: 0.17

1,50411,284
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 284
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 70
atom chem shift.comp id: LEU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 179.435
atom chem shift.val err: 0

1,50411,285
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 285
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 70
atom chem shift.comp id: LEU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 58.281
atom chem shift.val err: 0

1,50411,286
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 286
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 71
atom chem shift.comp id: ILE
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 9.229
atom chem shift.val err: 0.01

1,50411,287
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 287
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 71
atom chem shift.comp id: ILE
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 179.86
atom chem shift.val err: 0.03

1,50411,288
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 288
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 71
atom chem shift.comp id: ILE
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 61.222
atom chem shift.val err: 0.02

1,50411,289
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 289
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 71
atom chem shift.comp id: ILE
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 118.83
atom chem shift.val err: 0.09

1,50411,290
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 290
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 72
atom chem shift.comp id: SER
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 7.284
atom chem shift.val err: 0.01

1,50411,291
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 291
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 72
atom chem shift.comp id: SER
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 177.215
atom chem shift.val err: 0.07

1,50411,292
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 292
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 72
atom chem shift.comp id: SER
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 63.272
atom chem shift.val err: 0.1

1,50411,293
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 293
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 72
atom chem shift.comp id: SER
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 62.175
atom chem shift.val err: 0

1,50411,294
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 294
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 72
atom chem shift.comp id: SER
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 121.719
atom chem shift.val err: 0.12

1,50411,295
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 295
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 73
atom chem shift.comp id: LEU
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: 8.532
atom chem shift.val err: 0

1,50411,296
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 296
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 73
atom chem shift.comp id: LEU
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: 178.686
atom chem shift.val err: 0.04

1,50411,297
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 297
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 73
atom chem shift.comp id: LEU
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: 58.17
atom chem shift.val err: 0.14

1,50411,298
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 298
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 73
atom chem shift.comp id: LEU
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: 42.087
atom chem shift.val err: 0

1,50411,299
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 299
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 73
atom chem shift.comp id: LEU
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: 122.468
atom chem shift.val err: 2.49

1,50411,300
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 300
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 74
atom chem shift.comp id: LEU
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: 8.657
atom chem shift.val err: 0.03

1,50411,301
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 301
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 74
atom chem shift.comp id: LEU
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: 179.048
atom chem shift.val err: 0.05

1,50411,302
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 302
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 74
atom chem shift.comp id: LEU
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: 58.324
atom chem shift.val err: 0.09

1,50411,303
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 303
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 74
atom chem shift.comp id: LEU
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: 41.748
atom chem shift.val err: 0

1,50411,304
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 304
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 74
atom chem shift.comp id: LEU
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: 118.355
atom chem shift.val err: 0.08

1,50411,305
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 305
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 75
atom chem shift.comp id: SER
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: 8.018
atom chem shift.val err: 0.02

1,50411,306
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 306
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 75
atom chem shift.comp id: SER
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: 177.257
atom chem shift.val err: 0.03

1,50411,307
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 307
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 75
atom chem shift.comp id: SER
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: 62.255
atom chem shift.val err: 0.08

1,50411,308
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 308
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 75
atom chem shift.comp id: SER
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: 62.902
atom chem shift.val err: 0

1,50411,309
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 309
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 75
atom chem shift.comp id: SER
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: 114.288
atom chem shift.val err: 0.05

1,50411,310
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 310
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 76
atom chem shift.comp id: TRP
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: 7.588
atom chem shift.val err: 0.02

1,50411,311
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 311
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 76
atom chem shift.comp id: TRP
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: 177.776
atom chem shift.val err: 0

1,50411,312
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 312
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 76
atom chem shift.comp id: TRP
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: 58.615
atom chem shift.val err: 0.29

1,50411,313
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 313
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 76
atom chem shift.comp id: TRP
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: 28.302
atom chem shift.val err: 0

1,50411,314
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 314
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 76
atom chem shift.comp id: TRP
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: 125.615
atom chem shift.val err: 0.15

1,50411,315
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 315
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 77
atom chem shift.comp id: GLY
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: 7.947
atom chem shift.val err: 0.03

1,50411,316
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 316
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 77
atom chem shift.comp id: GLY
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: 173.041
atom chem shift.val err: 0.09

1,50411,317
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 317
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 77
atom chem shift.comp id: GLY
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: 47.711
atom chem shift.val err: 0.18

1,50411,318
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 318
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 77
atom chem shift.comp id: GLY
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: 102.96
atom chem shift.val err: 0.13

1,50411,319
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 319
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 78
atom chem shift.comp id: PHE
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 8.118
atom chem shift.val err: 0.02

1,50411,320
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 320
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 78
atom chem shift.comp id: PHE
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 176.76
atom chem shift.val err: 0.02

1,50411,321
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 321
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 78
atom chem shift.comp id: PHE
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 60.845
atom chem shift.val err: 0.19

1,50411,322
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 322
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 78
atom chem shift.comp id: PHE
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 112.184
atom chem shift.val err: 0.06

1,50411,323
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 323
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 79
atom chem shift.comp id: PHE
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 6.475
atom chem shift.val err: 0.02

1,50411,324
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 324
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 79
atom chem shift.comp id: PHE
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 176.469
atom chem shift.val err: 0.05

1,50411,325
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 325
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 79
atom chem shift.comp id: PHE
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 55.579
atom chem shift.val err: 0.08

1,50411,326
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 326
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 79
atom chem shift.comp id: PHE
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 110.781
atom chem shift.val err: 0.21

1,50411,327
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 327
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 80
atom chem shift.comp id: GLY
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 7.355
atom chem shift.val err: 0.01

1,50411,328
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 328
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 80
atom chem shift.comp id: GLY
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 174.646
atom chem shift.val err: 0.11

1,50411,329
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 329
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 80
atom chem shift.comp id: GLY
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 46.4
atom chem shift.val err: 0.17

1,50411,330
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 330
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 80
atom chem shift.comp id: GLY
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 109.323
atom chem shift.val err: 0.06

1,50411,331
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 331
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 81
atom chem shift.comp id: GLN
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: 7.169
atom chem shift.val err: 0.02

1,50411,332
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 332
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 81
atom chem shift.comp id: GLN
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: 174.607
atom chem shift.val err: 0.09

1,50411,333
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 333
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 81
atom chem shift.comp id: GLN
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: 56.437
atom chem shift.val err: 0.04

1,50411,334
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 334
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 81
atom chem shift.comp id: GLN
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: 118.534
atom chem shift.val err: 0.08

1,50411,335
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 335
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 82
atom chem shift.comp id: ARG
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: 7.994
atom chem shift.val err: 0.02

1,50411,336
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 336
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 82
atom chem shift.comp id: ARG
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: 175.478
atom chem shift.val err: 0.42

1,50411,337
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 337
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 82
atom chem shift.comp id: ARG
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: 54.946
atom chem shift.val err: 0.08

1,50411,338
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 338
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 82
atom chem shift.comp id: ARG
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: 31.319
atom chem shift.val err: 0

1,50411,339
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 339
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 82
atom chem shift.comp id: ARG
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: 27.678
atom chem shift.val err: 0

1,50411,340
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 340
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 82
atom chem shift.comp id: ARG
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: 43.593
atom chem shift.val err: 0

1,50411,341
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 341
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 82
atom chem shift.comp id: ARG
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: 126.262
atom chem shift.val err: 0.14

1,50411,342
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 342
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 83
atom chem shift.comp id: LEU
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: 174.501
atom chem shift.val err: 0

1,50411,343
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 343
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
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: 52.948
atom chem shift.val err: 0

1,50411,344
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 344
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 84
atom chem shift.comp id: ASP
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: 6.887
atom chem shift.val err: 0.03

1,50411,345
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 345
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 84
atom chem shift.comp id: ASP
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: 175.209
atom chem shift.val err: 0.07

1,50411,346
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 346
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 84
atom chem shift.comp id: ASP
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: 50.66
atom chem shift.val err: 0.12

1,50411,347
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 347
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 84
atom chem shift.comp id: ASP
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: 117.252
atom chem shift.val err: 0.12

1,50411,348
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 348
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 85
atom chem shift.comp id: LEU
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 8.485
atom chem shift.val err: 0.01

1,50411,349
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 349
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 85
atom chem shift.comp id: LEU
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 175.602
atom chem shift.val err: 0

1,50411,350
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 350
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 85
atom chem shift.comp id: LEU
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 59.391
atom chem shift.val err: 0

1,50411,351
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 351
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 85
atom chem shift.comp id: LEU
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 118.471
atom chem shift.val err: 0.1

1,50411,352
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 352
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 86
atom chem shift.comp id: PRO
atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 177.559
atom chem shift.val err: 0

1,50411,353
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 353
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: PRO
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 66.473
atom chem shift.val err: 0

1,50411,354
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 354
atom chem shift.ambiguity code: 1
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.auth comp id: ALA
atom chem shift.auth seq id: 87
atom chem shift.comp id: ALA
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 7.285
atom chem shift.val err: 0.03

1,50411,355
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 355
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 87
atom chem shift.comp id: ALA
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 179.148
atom chem shift.val err: 0.08

1,50411,356
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 356
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 87
atom chem shift.comp id: ALA
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 55.683
atom chem shift.val err: 0.09

1,50411,357
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 357
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 87
atom chem shift.comp id: ALA
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 17.575
atom chem shift.val err: 0

1,50411,358
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 358
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 87
atom chem shift.comp id: ALA
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 117.076
atom chem shift.val err: 0.12

1,50411,359
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 359
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 88
atom chem shift.comp id: ILE
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: 7.633
atom chem shift.val err: 0.01

1,50411,360
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 360
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 88
atom chem shift.comp id: ILE
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: 178.155
atom chem shift.val err: 0

1,50411,361
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 361
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 88
atom chem shift.comp id: ILE
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: 64.459
atom chem shift.val err: 0.08

1,50411,362
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 362
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 88
atom chem shift.comp id: ILE
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: 37.486
atom chem shift.val err: 0

1,50411,363
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 363
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 88
atom chem shift.comp id: ILE
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: 117.221
atom chem shift.val err: 0.02

1,50411,364
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 364
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 89
atom chem shift.comp id: ILE
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: 178.424
atom chem shift.val err: 0

1,50411,365
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 365
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ILE
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: 64.636
atom chem shift.val err: 0

1,50411,366
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 366
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
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: 8.466
atom chem shift.val err: 0.01

1,50411,367
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 367
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 90
atom chem shift.comp id: GLY
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: 175.996
atom chem shift.val err: 0.02

1,50411,368
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 368
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
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atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 90
atom chem shift.comp id: GLY
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: 47.63
atom chem shift.val err: 0.15

1,50411,369
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 369
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 90
atom chem shift.comp id: GLY
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: 107.357
atom chem shift.val err: 0.08

1,50411,370
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 370
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: MET
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atom chem shift.comp id: MET
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: 8.584
atom chem shift.val err: 0.01

1,50411,371
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 371
atom chem shift.ambiguity code: 1
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
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atom chem shift.auth comp id: MET
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atom chem shift.comp id: MET
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: 178.094
atom chem shift.val err: 0.21

1,50411,372
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 372
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: MET
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atom chem shift.comp id: MET
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: 60.32
atom chem shift.val err: 0.17

1,50411,373
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 373
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 91
atom chem shift.comp id: MET
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 91
atom chem shift.val: 32.714
atom chem shift.val err: 0

1,50411,374
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 374
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 91
atom chem shift.comp id: MET
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: 120.494
atom chem shift.val err: 0.09

1,50411,375
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 375
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atom chem shift.comp id: MET
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 92
atom chem shift.val: 8.272
atom chem shift.val err: 0.01

1,50411,376
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 376
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: MET
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atom chem shift.comp id: MET
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: 178.304
atom chem shift.val err: 0

1,50411,377
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 377
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: MET
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atom chem shift.comp id: MET
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: 59.947
atom chem shift.val err: 0

1,50411,378
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 378
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: MET
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atom chem shift.comp id: MET
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 92
atom chem shift.val: 32.911
atom chem shift.val err: 0

1,50411,379
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 379
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 92
atom chem shift.comp id: MET
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: 119.483
atom chem shift.val err: 0.08

1,50411,380
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 380
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ALA
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atom chem shift.comp id: ALA
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: 178.694
atom chem shift.val err: 0

1,50411,381
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.seq id: 96
atom chem shift.val: 55.07
atom chem shift.val err: 0

1,50411,382
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 382
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atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.25
atom chem shift.val err: 0.02

1,50411,383
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 97
atom chem shift.val: 175.002
atom chem shift.val err: 0.01

1,50411,384
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 384
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: GLY
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: 48.514
atom chem shift.val err: 0.13

1,50411,385
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 385
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 97
atom chem shift.comp id: GLY
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: 104.721
atom chem shift.val err: 0.26

1,50411,386
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 386
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ASN
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 176.511
atom chem shift.val err: 0

1,50411,387
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 387
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 56.154
atom chem shift.val err: 0

1,50411,388
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 388
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 8.109
atom chem shift.val err: 0.02

1,50411,389
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 389
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
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atom chem shift.val: 176.954
atom chem shift.val err: 0.05

1,50411,390
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 54.735
atom chem shift.val err: 0.13

1,50411,391
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 391
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 103
atom chem shift.val: 42.555
atom chem shift.val err: 0

1,50411,392
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 392
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 27.061
atom chem shift.val err: 0

1,50411,393
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 393
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 26.179
atom chem shift.val err: 0

1,50411,394
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 394
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 103
atom chem shift.comp id: LEU
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 113.283
atom chem shift.val err: 0.2

1,50411,395
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 395
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atom chem shift.auth seq id: 104
atom chem shift.comp id: LEU
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: 7.266
atom chem shift.val err: 0.02

1,50411,396
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 396
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 104
atom chem shift.comp id: LEU
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: 176.325
atom chem shift.val err: 0.2

1,50411,397
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 397
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 104
atom chem shift.comp id: LEU
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: 54.252
atom chem shift.val err: 0.2

1,50411,398
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 398
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 104
atom chem shift.comp id: LEU
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: 43.713
atom chem shift.val err: 0

1,50411,399
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 399
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
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atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 104
atom chem shift.comp id: LEU
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: 26.809
atom chem shift.val err: 0

1,50411,400
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 400
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 104
atom chem shift.comp id: LEU
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: 114.466
atom chem shift.val err: 0.26

1,50411,401
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 401
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 105
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: 6.72
atom chem shift.val err: 0.01

1,50411,402
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 402
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 105
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: 175.423
atom chem shift.val err: 0.38

1,50411,403
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 403
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 105
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: 57.014
atom chem shift.val err: 0.02

1,50411,404
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 404
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 105
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: 63.599
atom chem shift.val err: 0

1,50411,405
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 405
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 105
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: 110.786
atom chem shift.val err: 0.1

1,50411,406
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 406
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 106
atom chem shift.comp id: ARG
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: 9.431
atom chem shift.val err: 0.03

1,50411,407
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 407
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 106
atom chem shift.comp id: ARG
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: 55.815
atom chem shift.val err: 0

1,50411,408
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 408
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 106
atom chem shift.comp id: ARG
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: 127.5
atom chem shift.val err: 0.02

1,50411,409
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 409
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: PRO
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 177.785
atom chem shift.val err: 0

1,50411,410
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 410
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
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atom chem shift.auth comp id: PRO
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 64.223
atom chem shift.val err: 0

1,50411,411
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 411
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 4
atom chem shift.comp id: TYR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 7.879
atom chem shift.val err: 0.01

1,50411,412
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 412
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: TYR
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 178.237
atom chem shift.val err: 0.06

1,50411,413
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 413
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 4
atom chem shift.comp id: TYR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 62.321
atom chem shift.val err: 0.13

1,50411,414
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 414
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 4
atom chem shift.comp id: TYR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 115.561
atom chem shift.val err: 0.04

1,50411,415
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 415
atom chem shift.ambiguity code: 1
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.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 7.448
atom chem shift.val err: 0.01

1,50411,416
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 416
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 177.966
atom chem shift.val err: 0.01

1,50411,417
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 417
atom chem shift.ambiguity code: 1
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 id: ILE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 64.513
atom chem shift.val err: 0.1

1,50411,418
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 418
atom chem shift.ambiguity code: 1
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 id: ILE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 36.546
atom chem shift.val err: 0

1,50411,419
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 419
atom chem shift.ambiguity code: 1
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
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atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 5
atom chem shift.comp id: ILE
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 120.838
atom chem shift.val err: 0.11

1,50411,420
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 420
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: TYR
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 6.163
atom chem shift.val err: 0.03

1,50411,421
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 421
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: TYR
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 178.187
atom chem shift.val err: 0

1,50411,422
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 422
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: TYR
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 60.334
atom chem shift.val err: 0

1,50411,423
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 423
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 6
atom chem shift.comp id: TYR
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 116.94
atom chem shift.val err: 0.1

1,50411,424
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 424
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 7
atom chem shift.comp id: LEU
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 177.947
atom chem shift.val err: 0

1,50411,425
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 425
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 57.592
atom chem shift.val err: 0

1,50411,426
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 426
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 8.477
atom chem shift.val err: 0.01

1,50411,427
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 427
atom chem shift.ambiguity code: 1
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
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atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 8
atom chem shift.comp id: GLY
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 174.714
atom chem shift.val err: 0.03

1,50411,428
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 428
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 8
atom chem shift.comp id: GLY
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 47.433
atom chem shift.val err: 0.03

1,50411,429
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 429
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 8
atom chem shift.comp id: GLY
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 103.432
atom chem shift.val err: 0.04

1,50411,430
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 430
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atom chem shift.atom type: H
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atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 8.111
atom chem shift.val err: 0.02

1,50411,431
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 431
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
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atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 173.418
atom chem shift.val err: 0.03

1,50411,432
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 432
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 47.293
atom chem shift.val err: 0.1

1,50411,433
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 433
atom chem shift.ambiguity code: 1
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.auth comp id: GLY
atom chem shift.auth seq id: 9
atom chem shift.comp id: GLY
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 107.561
atom chem shift.val err: 0.13

1,50411,434
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 434
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 8.027
atom chem shift.val err: 0.03

1,50411,435
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 435
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
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atom chem shift.auth atom id: C
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 180.325
atom chem shift.val err: 0

1,50411,436
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 436
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 55.245
atom chem shift.val err: 0.01

1,50411,437
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 437
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 17.888
atom chem shift.val err: 0

1,50411,438
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 438
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 10
atom chem shift.comp id: ALA
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 124.835
atom chem shift.val err: 0.08

1,50411,439
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 439
atom chem shift.ambiguity code: 1
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.auth seq id: 13
atom chem shift.comp id: ALA
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 179.216
atom chem shift.val err: 0

1,50411,440
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 440
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 55.557
atom chem shift.val err: 0

1,50411,441
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 441
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 7.423
atom chem shift.val err: 0.01

1,50411,442
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 442
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 14
atom chem shift.val: 177.916
atom chem shift.val err: 0

1,50411,443
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 443
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 59.245
atom chem shift.val err: 0.06

1,50411,444
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 444
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 28.508
atom chem shift.val err: 0

1,50411,445
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 33.915
atom chem shift.val err: 0

1,50411,446
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 446
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth seq id: 14
atom chem shift.comp id: GLU
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 14
atom chem shift.val: 118.506
atom chem shift.val err: 0.22

1,50411,447
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 447
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 178.17
atom chem shift.val err: 0

1,50411,448
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 16
atom chem shift.val: 64.651
atom chem shift.val err: 0

1,50411,449
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 449
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLY
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atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 17
atom chem shift.val: 8.354
atom chem shift.val err: 0.02

1,50411,450
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 450
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 173.99
atom chem shift.val err: 0.37

1,50411,451
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 451
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 47.402
atom chem shift.val err: 0.25

1,50411,452
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 452
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: N
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atom chem shift.auth seq id: 17
atom chem shift.comp id: GLY
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 17
atom chem shift.val: 108.655
atom chem shift.val err: 0.3

1,50411,453
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 453
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atom chem shift.comp id: THR
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atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 18
atom chem shift.val: 8.986
atom chem shift.val err: 0.02

1,50411,454
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 454
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atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 18
atom chem shift.val: 178.048
atom chem shift.val err: 0

1,50411,455
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 455
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 18
atom chem shift.val: 66.811
atom chem shift.val err: 0.05

1,50411,456
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 456
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atom chem shift.comp id: THR
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 18
atom chem shift.val: 68.038
atom chem shift.val err: 0

1,50411,457
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 457
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 18
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atom chem shift.seq id: 18
atom chem shift.val: 23.123
atom chem shift.val err: 0

1,50411,458
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 458
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 18
atom chem shift.comp id: THR
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 122.751
atom chem shift.val err: 0.13

1,50411,459
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 459
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 178.966
atom chem shift.val err: 0

1,50411,460
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 20
atom chem shift.val: 58.135
atom chem shift.val err: 0

1,50411,461
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.val: 8.112
atom chem shift.val err: 0.01

1,50411,462
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 462
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atom chem shift.seq id: 21
atom chem shift.val: 181.075
atom chem shift.val err: 0.04

1,50411,463
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp id: MET
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 21
atom chem shift.val: 59.18
atom chem shift.val err: 0.05

1,50411,464
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 464
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atom chem shift.comp id: MET
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 21
atom chem shift.val: 31.156
atom chem shift.val err: 0

1,50411,465
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 465
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atom chem shift.auth seq id: 21
atom chem shift.comp id: MET
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 21
atom chem shift.val: 120.575
atom chem shift.val err: 0.04

1,50411,466
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 466
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 22
atom chem shift.val: 7.276
atom chem shift.val err: 0.01

1,50411,467
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 467
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 22
atom chem shift.val: 58.688
atom chem shift.val err: 0

1,50411,468
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 468
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 22
atom chem shift.comp id: LYS
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 122.732
atom chem shift.val err: 0.12

1,50411,469
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 469
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 178.096
atom chem shift.val err: 0

1,50411,470
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 470
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLU
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 55.929
atom chem shift.val err: 0

1,50411,471
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 471
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 26
atom chem shift.comp id: GLY
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 9.163
atom chem shift.val err: 0.04

1,50411,472
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 472
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 26
atom chem shift.comp id: GLY
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 174.457
atom chem shift.val err: 0.08

1,50411,473
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 473
atom chem shift.ambiguity code: 1
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.auth atom id: Ca
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 26
atom chem shift.comp id: GLY
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 46.783
atom chem shift.val err: 0

1,50411,474
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 474
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 26
atom chem shift.comp id: GLY
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 113.084
atom chem shift.val err: 0.16

1,50411,475
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 475
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 27
atom chem shift.comp id: PHE
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 173.618
atom chem shift.val err: 0

1,50411,476
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 476
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 7.212
atom chem shift.val err: 0.01

1,50411,477
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 477
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 61.811
atom chem shift.val err: 0

1,50411,478
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 478
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 28
atom chem shift.comp id: THR
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 100.977
atom chem shift.val err: 0.05

1,50411,479
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 479
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 29
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 177.807
atom chem shift.val err: 0

1,50411,480
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 480
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 29
atom chem shift.comp id: ARG
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 54.112
atom chem shift.val err: 0

1,50411,481
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 481
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 30
atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 8.835
atom chem shift.val err: 0.01

1,50411,482
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 482
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 30
atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 177.081
atom chem shift.val err: 0

1,50411,483
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 483
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 30
atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 59.736
atom chem shift.val err: 0.12

1,50411,484
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 484
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 30
atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 130.307
atom chem shift.val err: 0.06

1,50411,485
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 485
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 31
atom chem shift.comp id: TRP
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 9.079
atom chem shift.val err: 0.02

1,50411,486
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 486
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 31
atom chem shift.comp id: TRP
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 177.221
atom chem shift.val err: 0

1,50411,487
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 487
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 31
atom chem shift.comp id: TRP
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 61.371
atom chem shift.val err: 0

1,50411,488
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 488
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 31
atom chem shift.comp id: TRP
atom chem shift.comp index id: 31
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 118.447
atom chem shift.val err: 0.09

1,50411,489
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 489
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 32
atom chem shift.comp id: PRO
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 179.674
atom chem shift.val err: 0

1,50411,490
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 490
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 32
atom chem shift.comp id: PRO
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 65.41
atom chem shift.val err: 0

1,50411,491
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 491
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 33
atom chem shift.comp id: SER
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 6.925
atom chem shift.val err: 0.02

1,50411,492
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 492
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 33
atom chem shift.comp id: SER
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 174.993
atom chem shift.val err: 0.06

1,50411,493
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 493
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 33
atom chem shift.comp id: SER
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 63.751
atom chem shift.val err: 0.13

1,50411,494
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 494
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 33
atom chem shift.comp id: SER
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 61.991
atom chem shift.val err: 0

1,50411,495
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 495
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 33
atom chem shift.comp id: SER
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 115.292
atom chem shift.val err: 0.22

1,50411,496
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 496
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 34
atom chem shift.comp id: VAL
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 8.09
atom chem shift.val err: 0.03

1,50411,497
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 497
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 34
atom chem shift.comp id: VAL
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 178.291
atom chem shift.val err: 0

1,50411,498
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 498
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 34
atom chem shift.comp id: VAL
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 66.621
atom chem shift.val err: 0.06

1,50411,499
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 499
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 34
atom chem shift.comp id: VAL
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 121.328
atom chem shift.val err: 0.09

1,50411,500
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 500
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLY
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 8.428
atom chem shift.val err: 0.02

1,50411,501
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 501
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLY
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 174.539
atom chem shift.val err: 0.04

1,50411,502
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 502
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLY
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 48.031
atom chem shift.val err: 0.23

1,50411,503
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 503
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLY
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 103.953
atom chem shift.val err: 0.05

1,50411,504
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 504
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 36
atom chem shift.comp id: THR
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 7.943
atom chem shift.val err: 0.02

1,50411,505
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 505
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 36
atom chem shift.comp id: THR
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 174.949
atom chem shift.val err: 0.11

1,50411,506
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 506
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 36
atom chem shift.comp id: THR
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 68.6
atom chem shift.val err: 0.19

1,50411,507
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 507
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 36
atom chem shift.comp id: THR
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 120.424
atom chem shift.val err: 0.03

1,50411,508
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 508
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 37
atom chem shift.comp id: ILE
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 7.428
atom chem shift.val err: 0.01

1,50411,509
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 509
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 37
atom chem shift.comp id: ILE
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 178.086
atom chem shift.val err: 0.14

1,50411,510
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 510
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 37
atom chem shift.comp id: ILE
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 65.666
atom chem shift.val err: 0.06

1,50411,511
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 511
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 37
atom chem shift.comp id: ILE
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 118.53
atom chem shift.val err: 0.04

1,50411,512
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 512
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 38
atom chem shift.comp id: ILE
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 8.036
atom chem shift.val err: 0.05

1,50411,513
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 513
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 38
atom chem shift.comp id: ILE
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 177.892
atom chem shift.val err: 0.47

1,50411,514
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 514
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 38
atom chem shift.comp id: ILE
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 65.71
atom chem shift.val err: 0.05

1,50411,515
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 515
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 38
atom chem shift.comp id: ILE
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 118.671
atom chem shift.val err: 0.04

1,50411,516
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 516
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 39
atom chem shift.comp id: CYS
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 7.831
atom chem shift.val err: 0.03

1,50411,517
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 517
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 39
atom chem shift.comp id: CYS
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 177.274
atom chem shift.val err: 0.11

1,50411,518
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 518
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 39
atom chem shift.comp id: CYS
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 65.35
atom chem shift.val err: 0.05

1,50411,519
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 519
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 39
atom chem shift.comp id: CYS
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 26.316
atom chem shift.val err: 0

1,50411,520
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 520
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 39
atom chem shift.comp id: CYS
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 116.063
atom chem shift.val err: 0.17

1,50411,521
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 521
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 40
atom chem shift.comp id: TYR
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 8.54
atom chem shift.val err: 0.02

1,50411,522
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 522
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 40
atom chem shift.comp id: TYR
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 177.38
atom chem shift.val err: 0

1,50411,523
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 523
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 40
atom chem shift.comp id: TYR
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 57.768
atom chem shift.val err: 0

1,50411,524
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 524
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 40
atom chem shift.comp id: TYR
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 119.21
atom chem shift.val err: 0.02

1,50411,525
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 525
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 42
atom chem shift.comp id: ALA
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 178.305
atom chem shift.val err: 0

1,50411,526
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 526
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 42
atom chem shift.comp id: ALA
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 55.323
atom chem shift.val err: 0

1,50411,527
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 527
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 43
atom chem shift.comp id: SER
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 8.015
atom chem shift.val err: 0.01

1,50411,528
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 528
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 43
atom chem shift.comp id: SER
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 177.51
atom chem shift.val err: 0.15

1,50411,529
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 529
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 43
atom chem shift.comp id: SER
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 62.273
atom chem shift.val err: 0.04

1,50411,530
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 530
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 43
atom chem shift.comp id: SER
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 63.315
atom chem shift.val err: 0

1,50411,531
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 531
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 43
atom chem shift.comp id: SER
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 110.61
atom chem shift.val err: 0.14

1,50411,532
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 532
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 45
atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 178.547
atom chem shift.val err: 0

1,50411,533
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 533
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 45
atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 62.857
atom chem shift.val err: 0

1,50411,534
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 534
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 46
atom chem shift.comp id: LEU
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 8.594
atom chem shift.val err: 0.03

1,50411,535
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 535
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 46
atom chem shift.comp id: LEU
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 180.135
atom chem shift.val err: 0.04

1,50411,536
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 536
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 46
atom chem shift.comp id: LEU
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 58.077
atom chem shift.val err: 0.07

1,50411,537
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 537
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 46
atom chem shift.comp id: LEU
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 40.715
atom chem shift.val err: 0

1,50411,538
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 538
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 46
atom chem shift.comp id: LEU
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 119.68
atom chem shift.val err: 0.06

1,50411,539
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 539
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 47
atom chem shift.comp id: LEU
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 9.026
atom chem shift.val err: 0.04

1,50411,540
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 540
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 47
atom chem shift.comp id: LEU
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 57.44
atom chem shift.val err: 0.06

1,50411,541
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 541
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 47
atom chem shift.comp id: LEU
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 39.821
atom chem shift.val err: 0

1,50411,542
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 542
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 47
atom chem shift.comp id: LEU
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 26.552
atom chem shift.val err: 0

1,50411,543
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 543
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 47
atom chem shift.comp id: LEU
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 124.075
atom chem shift.val err: 0.05

1,50411,544
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 544
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 48
atom chem shift.comp id: ALA
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 180.292
atom chem shift.val err: 0

1,50411,545
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 545
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 48
atom chem shift.comp id: ALA
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 55.597
atom chem shift.val err: 0

1,50411,546
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 546
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 49
atom chem shift.comp id: GLN
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 6.84
atom chem shift.val err: 0.02

1,50411,547
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 547
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 49
atom chem shift.comp id: GLN
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 177.368
atom chem shift.val err: 0

1,50411,548
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 548
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 49
atom chem shift.comp id: GLN
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 55.951
atom chem shift.val err: 0.01

1,50411,549
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 549
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 49
atom chem shift.comp id: GLN
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 26.008
atom chem shift.val err: 0

1,50411,550
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 550
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 49
atom chem shift.comp id: GLN
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 113.551
atom chem shift.val err: 0.15

1,50411,551
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 551
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 51
atom chem shift.comp id: LEU
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 175.849
atom chem shift.val err: 0

1,50411,552
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 552
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 51
atom chem shift.comp id: LEU
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 55.209
atom chem shift.val err: 0

1,50411,553
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 553
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 52
atom chem shift.comp id: ALA
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 7.001
atom chem shift.val err: 0.01

1,50411,554
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 554
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 52
atom chem shift.comp id: ALA
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 177.625
atom chem shift.val err: 0.22

1,50411,555
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 555
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 52
atom chem shift.comp id: ALA
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 53.139
atom chem shift.val err: 0.25

1,50411,556
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 556
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 52
atom chem shift.comp id: ALA
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 17.429
atom chem shift.val err: 0

1,50411,557
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 557
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 52
atom chem shift.comp id: ALA
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 119.977
atom chem shift.val err: 0.24

1,50411,558
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 558
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 53
atom chem shift.comp id: TYR
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 7.241
atom chem shift.val err: 0.03

1,50411,559
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 559
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 53
atom chem shift.comp id: TYR
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 174.602
atom chem shift.val err: 0.23

1,50411,560
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 560
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 53
atom chem shift.comp id: TYR
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 58.025
atom chem shift.val err: 0.1

1,50411,561
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 561
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 53
atom chem shift.comp id: TYR
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 42.659
atom chem shift.val err: 0

1,50411,562
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 562
atom chem shift.ambiguity code: 1
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.auth atom id: CD1
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 53
atom chem shift.comp id: TYR
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 132.688
atom chem shift.val err: 0

1,50411,563
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 563
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 53
atom chem shift.comp id: TYR
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 112.377
atom chem shift.val err: 0.17

1,50411,564
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 564
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: THR
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atom chem shift.comp id: THR
atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 176.097
atom chem shift.val err: 0

1,50411,565
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 565
atom chem shift.ambiguity code: 1
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.auth comp id: GLY
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 9.934
atom chem shift.val err: 0

1,50411,566
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 566
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 57
atom chem shift.comp id: GLY
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 175.147
atom chem shift.val err: 0.09

1,50411,567
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 567
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 57
atom chem shift.comp id: GLY
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 47.236
atom chem shift.val err: 0.16

1,50411,568
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 568
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 57
atom chem shift.comp id: GLY
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 57
atom chem shift.val: 106.811
atom chem shift.val err: 0.05

1,50411,569
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 569
atom chem shift.ambiguity code: 1
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.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 58
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 6.228
atom chem shift.val err: 0.01

1,50411,570
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 570
atom chem shift.ambiguity code: 1
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
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atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 58
atom chem shift.comp id: ILE
atom chem shift.comp index id: 58
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 176.712
atom chem shift.val err: 0.01

1,50411,571
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 571
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 58
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 64.945
atom chem shift.val err: 0.15

1,50411,572
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 572
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 58
atom chem shift.comp id: ILE
atom chem shift.comp index id: 58
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 58
atom chem shift.val: 117.04
atom chem shift.val err: 0.04

1,50411,573
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 573
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 59
atom chem shift.comp id: ALA
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 7.621
atom chem shift.val err: 0.02

1,50411,574
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 574
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 59
atom chem shift.comp id: ALA
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 178.016
atom chem shift.val err: 0.09

1,50411,575
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 575
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 59
atom chem shift.comp id: ALA
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 55.584
atom chem shift.val err: 0.02

1,50411,576
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 576
atom chem shift.ambiguity code: 1
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 id: ALA
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 59
atom chem shift.val: 17.133
atom chem shift.val err: 0

1,50411,577
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 577
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 59
atom chem shift.comp id: ALA
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 121.278
atom chem shift.val err: 0.1

1,50411,578
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 578
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 61
atom chem shift.comp id: ALA
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 179.09
atom chem shift.val err: 0

1,50411,579
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 579
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 61
atom chem shift.comp id: ALA
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 55.023
atom chem shift.val err: 0

1,50411,580
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 580
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 8.226
atom chem shift.val err: 0.01

1,50411,581
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 581
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 176.913
atom chem shift.val err: 0.29

1,50411,582
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 582
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 66.35
atom chem shift.val err: 0.07

1,50411,583
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 583
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 37.741
atom chem shift.val err: 0

1,50411,584
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 584
atom chem shift.ambiguity code: 1
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.auth atom id: CG1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 29.541
atom chem shift.val err: 0

1,50411,585
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 585
atom chem shift.ambiguity code: 1
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.auth atom id: CG2
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 16.942
atom chem shift.val err: 0

1,50411,586
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 586
atom chem shift.ambiguity code: 1
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.auth atom id: CD
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 13.247
atom chem shift.val err: 0

1,50411,587
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 587
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 62
atom chem shift.comp id: ILE
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 115.25
atom chem shift.val err: 0.11

1,50411,588
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 588
atom chem shift.ambiguity code: 1
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.auth atom id: HE1
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 9.9
atom chem shift.val err: 0

1,50411,589
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 589
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 179.701
atom chem shift.val err: 0

1,50411,590
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 590
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 60.003
atom chem shift.val err: 0

1,50411,591
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 591
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NE1
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NE1
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 63
atom chem shift.comp id: TRP
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 129.946
atom chem shift.val err: 0

1,50411,592
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 592
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 64
atom chem shift.comp id: VAL
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 8.401
atom chem shift.val err: 0.03

1,50411,593
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 593
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 64
atom chem shift.comp id: VAL
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 180.442
atom chem shift.val err: 0.1

1,50411,594
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 594
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 64
atom chem shift.comp id: VAL
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 64.109
atom chem shift.val err: 0.13

1,50411,595
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 595
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 64
atom chem shift.comp id: VAL
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 30.184
atom chem shift.val err: 0.13

1,50411,596
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 596
atom chem shift.ambiguity code: 1
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.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 64
atom chem shift.comp id: VAL
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 19.671
atom chem shift.val err: 0.15

1,50411,597
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 597
atom chem shift.ambiguity code: 1
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.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 64
atom chem shift.comp id: VAL
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 18.577
atom chem shift.val err: 0.12

1,50411,598
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 598
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 64
atom chem shift.comp id: VAL
atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 110.656
atom chem shift.val err: 0.12

1,50411,599
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 599
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 8.038
atom chem shift.val err: 0.35

1,50411,600
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 600
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 173.346
atom chem shift.val err: 0.06

1,50411,601
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 601
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 46.876
atom chem shift.val err: 0.01

1,50411,602
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 602
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 107.864
atom chem shift.val err: 0.39

1,50411,603
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 603
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 178.119
atom chem shift.val err: 0

1,50411,604
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 604
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 67.062
atom chem shift.val err: 0

1,50411,605
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 605
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLY
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 9.133
atom chem shift.val err: 0.02

1,50411,606
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 606
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLY
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 174.614
atom chem shift.val err: 0

1,50411,607
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 607
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLY
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 47.383
atom chem shift.val err: 0.09

1,50411,608
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 608
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLY
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 106.472
atom chem shift.val err: 0.03

1,50411,609
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 609
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 68
atom chem shift.comp id: ILE
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 6.52
atom chem shift.val err: 0.01

1,50411,610
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 610
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 68
atom chem shift.comp id: ILE
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 177.784
atom chem shift.val err: 0.05

1,50411,611
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 611
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 68
atom chem shift.comp id: ILE
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 60.258
atom chem shift.val err: 0.28

1,50411,612
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 612
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 68
atom chem shift.comp id: ILE
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 117.556
atom chem shift.val err: 0.05

1,50411,613
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 613
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 70
atom chem shift.comp id: LEU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 8.323
atom chem shift.val err: 0.01

1,50411,614
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 614
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 70
atom chem shift.comp id: LEU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 178.645
atom chem shift.val err: 0.17

1,50411,615
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 615
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 70
atom chem shift.comp id: LEU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 57.775
atom chem shift.val err: 0.07

1,50411,616
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 616
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 70
atom chem shift.comp id: LEU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 40.721
atom chem shift.val err: 0

1,50411,617
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 617
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 70
atom chem shift.comp id: LEU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 26.586
atom chem shift.val err: 0

1,50411,618
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 618
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 70
atom chem shift.comp id: LEU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 121.828
atom chem shift.val err: 0.03

1,50411,619
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 619
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 71
atom chem shift.comp id: ILE
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 8.416
atom chem shift.val err: 0.03

1,50411,620
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 620
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 71
atom chem shift.comp id: ILE
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 178.228
atom chem shift.val err: 0.07

1,50411,621
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 621
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 71
atom chem shift.comp id: ILE
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 64.51
atom chem shift.val err: 0.07

1,50411,622
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 622
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 71
atom chem shift.comp id: ILE
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 36.679
atom chem shift.val err: 0

1,50411,623
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 623
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 71
atom chem shift.comp id: ILE
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 119.057
atom chem shift.val err: 0.14

1,50411,624
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 624
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 74
atom chem shift.comp id: LEU
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 179.435
atom chem shift.val err: 0

1,50411,625
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 625
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 74
atom chem shift.comp id: LEU
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 58.277
atom chem shift.val err: 0

1,50411,626
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 626
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 75
atom chem shift.comp id: SER
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 8.405
atom chem shift.val err: 0.03

1,50411,627
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 627
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 75
atom chem shift.comp id: SER
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 177.354
atom chem shift.val err: 0.05

1,50411,628
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 628
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 75
atom chem shift.comp id: SER
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 62.116
atom chem shift.val err: 0.07

1,50411,629
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 629
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 75
atom chem shift.comp id: SER
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 116.715
atom chem shift.val err: 0.07

1,50411,630
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 630
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: TRP
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 7.701
atom chem shift.val err: 0.02

1,50411,631
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 631
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 76
atom chem shift.comp id: TRP
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 177.729
atom chem shift.val err: 0.03

1,50411,632
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 632
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 76
atom chem shift.comp id: TRP
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 58.594
atom chem shift.val err: 0.04

1,50411,633
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 633
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 76
atom chem shift.comp id: TRP
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 28.468
atom chem shift.val err: 0

1,50411,634
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 634
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 76
atom chem shift.comp id: TRP
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 124.354
atom chem shift.val err: 0.08

1,50411,635
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 635
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 77
atom chem shift.comp id: GLY
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 8.592
atom chem shift.val err: 0.03

1,50411,636
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 636
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 77
atom chem shift.comp id: GLY
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 173.568
atom chem shift.val err: 0.08

1,50411,637
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 637
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 77
atom chem shift.comp id: GLY
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 46.77
atom chem shift.val err: 0.16

1,50411,638
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 638
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 77
atom chem shift.comp id: GLY
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 105.213
atom chem shift.val err: 0.18

1,50411,639
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 639
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 78
atom chem shift.comp id: PHE
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 7.648
atom chem shift.val err: 0.05

1,50411,640
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 640
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 78
atom chem shift.comp id: PHE
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 175.652
atom chem shift.val err: 0.04

1,50411,641
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 641
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 78
atom chem shift.comp id: PHE
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 58.262
atom chem shift.val err: 0.1

1,50411,642
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 642
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 78
atom chem shift.comp id: PHE
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 109.844
atom chem shift.val err: 0.15

1,50411,643
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 643
atom chem shift.ambiguity code: 1
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.auth comp id: PHE
atom chem shift.auth seq id: 79
atom chem shift.comp id: PHE
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 7.095
atom chem shift.val err: 0.03

1,50411,644
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 644
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 79
atom chem shift.comp id: PHE
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 177.021
atom chem shift.val err: 0.12

1,50411,645
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 645
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 79
atom chem shift.comp id: PHE
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 56.351
atom chem shift.val err: 0.17

1,50411,646
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 646
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 79
atom chem shift.comp id: PHE
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 38.434
atom chem shift.val err: 0

1,50411,647
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 647
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 79
atom chem shift.comp id: PHE
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 115.343
atom chem shift.val err: 0.07

1,50411,648
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 648
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 80
atom chem shift.comp id: GLY
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 8.465
atom chem shift.val err: 0.02

1,50411,649
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.ambiguity code: 1
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atom chem shift.auth atom id: C
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 174.811
atom chem shift.val err: 0

1,50411,650
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 46.346
atom chem shift.val err: 0

1,50411,651
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 651
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 80
atom chem shift.comp id: GLY
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 109.209
atom chem shift.val err: 0.14

1,50411,652
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 652
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 8.322
atom chem shift.val err: 0

1,50411,653
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 173.99
atom chem shift.val err: 0

1,50411,654
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 54.131
atom chem shift.val err: 0.1

1,50411,655
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 83
atom chem shift.comp id: LEU
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 123.972
atom chem shift.val err: 0

1,50411,656
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 656
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atom chem shift.comp id: ASP
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 6.862
atom chem shift.val err: 0.03

1,50411,657
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 657
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 84
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 174.916
atom chem shift.val err: 0.07

1,50411,658
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 658
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 84
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 50.834
atom chem shift.val err: 0.14

1,50411,659
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 659
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atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 84
atom chem shift.val: 42.536
atom chem shift.val err: 0

1,50411,660
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 660
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atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 84
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 119.451
atom chem shift.val err: 0.1

1,50411,661
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 661
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 8.94
atom chem shift.val err: 0.02

1,50411,662
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 662
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 85
atom chem shift.val: 176.227
atom chem shift.val err: 0

1,50411,663
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 663
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 59.292
atom chem shift.val err: 0.11

1,50411,664
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 664
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atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 38.613
atom chem shift.val err: 0

1,50411,665
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 665
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atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 85
atom chem shift.comp id: LEU
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 118.134
atom chem shift.val err: 0.09

1,50411,666
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 666
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atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: PRO
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 177.327
atom chem shift.val err: 0

1,50411,667
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 86
atom chem shift.val: 66.481
atom chem shift.val err: 0

1,50411,668
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 668
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atom chem shift.seq id: 87
atom chem shift.val: 7.358
atom chem shift.val err: 0.02

1,50411,669
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 669
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atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 87
atom chem shift.val: 179.185
atom chem shift.val err: 0.07

1,50411,670
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 670
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atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 55.677
atom chem shift.val err: 0.09

1,50411,671
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 671
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 17.575
atom chem shift.val err: 0

1,50411,672
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 672
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 87
atom chem shift.comp id: ALA
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 117.238
atom chem shift.val err: 0.07

1,50411,673
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 673
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 7.625
atom chem shift.val err: 0.01

1,50411,674
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 674
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 178.155
atom chem shift.val err: 0

1,50411,675
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 675
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atom chem shift.val: 64.412
atom chem shift.val err: 0.07

1,50411,676
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 676
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 37.109
atom chem shift.val err: 0

1,50411,677
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 677
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atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 28.82
atom chem shift.val err: 0

1,50411,678
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 678
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 17.023
atom chem shift.val err: 0

1,50411,679
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
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atom chem shift.val: 117.151
atom chem shift.val err: 0.1

1,50411,680
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 89
atom chem shift.val: 178.44
atom chem shift.val err: 0

1,50411,681
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 64.671
atom chem shift.val err: 0

1,50411,682
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp id: GLY
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atom chem shift.val: 8.664
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1,50411,683
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLY
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 175.616
atom chem shift.val err: 0.03

1,50411,684
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 47.748
atom chem shift.val err: 0.18

1,50411,685
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 685
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 90
atom chem shift.comp id: GLY
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 107.058
atom chem shift.val err: 0.05

1,50411,686
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 686
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 91
atom chem shift.comp id: MET
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 8.294
atom chem shift.val err: 0.02

1,50411,687
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 687
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 91
atom chem shift.comp id: MET
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 178.24
atom chem shift.val err: 0.02

1,50411,688
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 688
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 91
atom chem shift.comp id: MET
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 60.081
atom chem shift.val err: 0.1

1,50411,689
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 689
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 91
atom chem shift.comp id: MET
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 33.024
atom chem shift.val err: 0

1,50411,690
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 690
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 91
atom chem shift.comp id: MET
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 119.349
atom chem shift.val err: 0.15

1,50411,691
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 691
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 92
atom chem shift.comp id: MET
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 8.052
atom chem shift.val err: 0.02

1,50411,692
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 692
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 92
atom chem shift.comp id: MET
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 177.648
atom chem shift.val err: 0

1,50411,693
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 693
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 92
atom chem shift.comp id: MET
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 59.546
atom chem shift.val err: 0.06

1,50411,694
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 694
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 92
atom chem shift.comp id: MET
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 32.601
atom chem shift.val err: 0

1,50411,695
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 695
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 92
atom chem shift.comp id: MET
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 118.665
atom chem shift.val err: 0.06

1,50411,696
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 696
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 95
atom chem shift.comp id: CYS
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 25.787
atom chem shift.val err: 0

1,50411,697
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 697
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 96
atom chem shift.comp id: ALA
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 178.556
atom chem shift.val err: 0

1,50411,698
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 698
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 96
atom chem shift.comp id: ALA
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 55.07
atom chem shift.val err: 0

1,50411,699
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 699
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 97
atom chem shift.comp id: GLY
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 8.245
atom chem shift.val err: 0.05

1,50411,700
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 700
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 97
atom chem shift.comp id: GLY
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 174.942
atom chem shift.val err: 0.07

1,50411,701
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 701
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 97
atom chem shift.comp id: GLY
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 48.692
atom chem shift.val err: 0.05

1,50411,702
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 702
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 97
atom chem shift.comp id: GLY
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 104.897
atom chem shift.val err: 0.05

1,50411,703
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 703
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 102
atom chem shift.comp id: ASN
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 176.387
atom chem shift.val err: 0

1,50411,704
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 704
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 102
atom chem shift.comp id: ASN
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 56.48
atom chem shift.val err: 0.14

1,50411,705
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 705
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 102
atom chem shift.comp id: ASN
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 39.006
atom chem shift.val err: 0

1,50411,706
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 706
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 102
atom chem shift.comp id: ASN
atom chem shift.comp index id: 102
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 102
atom chem shift.val: 114.765
atom chem shift.val err: 0.03

1,50411,707
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 707
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 103
atom chem shift.comp id: LEU
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 178.161
atom chem shift.val err: 0.02

1,50411,708
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 708
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 103
atom chem shift.comp id: LEU
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 56.172
atom chem shift.val err: 0.11

1,50411,709
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 709
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 103
atom chem shift.comp id: LEU
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 42.826
atom chem shift.val err: 0

1,50411,710
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 710
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 103
atom chem shift.comp id: LEU
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 26.953
atom chem shift.val err: 0

1,50411,711
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 711
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 103
atom chem shift.comp id: LEU
atom chem shift.comp index id: 103
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 103
atom chem shift.val: 114.782
atom chem shift.val err: 0.16

1,50411,712
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 712
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 7.59
atom chem shift.val err: 0.02

1,50411,713
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 713
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 104
atom chem shift.comp id: LEU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 176.994
atom chem shift.val err: 0.04

1,50411,714
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 714
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 104
atom chem shift.comp id: LEU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 54.68
atom chem shift.val err: 0.12

1,50411,715
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 715
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 104
atom chem shift.comp id: LEU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 44.724
atom chem shift.val err: 0

1,50411,716
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 716
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 104
atom chem shift.comp id: LEU
atom chem shift.comp index id: 104
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 104
atom chem shift.val: 113.569
atom chem shift.val err: 0.16

1,50411,717
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 717
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 105
atom chem shift.comp id: SER
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 7.457
atom chem shift.val err: 0.03

1,50411,718
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 718
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
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atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 105
atom chem shift.comp id: SER
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 176.629
atom chem shift.val err: 0.09

1,50411,719
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 719
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 105
atom chem shift.comp id: SER
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 58.436
atom chem shift.val err: 0.11

1,50411,720
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 720
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 105
atom chem shift.comp id: SER
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 64.14
atom chem shift.val err: 0

1,50411,721
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 721
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 105
atom chem shift.comp id: SER
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 111.942
atom chem shift.val err: 0.14

1,50411,722
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 722
atom chem shift.ambiguity code: 1
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.auth atom id: H
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 106
atom chem shift.comp id: ARG
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 9.948
atom chem shift.val err: 0.03

1,50411,723
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 723
atom chem shift.ambiguity code: 1
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.auth atom id: C
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 106
atom chem shift.comp id: ARG
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 176.941
atom chem shift.val err: 0

1,50411,724
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 724
atom chem shift.ambiguity code: 1
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.auth atom id: CA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 106
atom chem shift.comp id: ARG
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 54.439
atom chem shift.val err: 0.1

1,50411,725
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 725
atom chem shift.ambiguity code: 1
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.auth atom id: CB
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 106
atom chem shift.comp id: ARG
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 29.958
atom chem shift.val err: 0

1,50411,726
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 726
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 106
atom chem shift.comp id: ARG
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 26.933
atom chem shift.val err: 0

1,50411,727
type: atom chem shift
of datablock: info:bmrb/50411
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50411
atom chem shift.id: 727
atom chem shift.ambiguity code: 1
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.auth atom id: N
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 106
atom chem shift.comp id: ARG
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 129.385
atom chem shift.val err: 0.17

50411,VCJ
type: chem comp
of datablock: info:bmrb/50411
reference to entry: entry
chem comp.entry id: 50411
chem comp.id: VCJ
chem comp.ambiguous flag: no
chem comp.aromatic: yes
chem comp.bmrb code: VCJ
chem comp.formal charge: 1+
chem comp.formula: C24 H16 F4 P
chem comp.formula weight: 411.351
chem comp.ideal coordinates details: Corina
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C24H16F4P/c25-17-1-9-21(10-2-17)29(22-11-3-18(26)4-12-22,23-13-5-19(27)6-14-23)24-15-7-20(28)8-16-24/h1-16H/q+1
chem comp.initial date: 2020-07-27Z
chem comp.model coordinates db code: 7JK8
chem comp.model coordinates missing flag: no
chem comp.modified date: 2020-07-27Z
chem comp.name: tetrakis(4-fluorophenyl)phosphanium
chem comp.number atoms all: 45
chem comp.number atoms nh: 29
chem comp.pdb code: VCJ
chem comp.processing site: RCSB
chem comp.provenance: PDB
chem comp.release status: HOLD
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_VCJ
chem comp.three letter code: VCJ
chem comp.type: NON-POLYMER

info:pdb-ccd/VCJ

pdb-ccd:VCJ

info:pdb.ligand/VCJ

pdb.ligand:VCJ

C2,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C2
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C1
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.057
chem comp atom.model cartn x ideal: -0.426
chem comp atom.model cartn y: 94.409
chem comp atom.model cartn y ideal: 2.621
chem comp atom.model cartn z: 27.020
chem comp atom.model cartn z ideal: 0.813
chem comp atom.pdb atom id: C2
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C5,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C5
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C2
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C5
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.283
chem comp atom.model cartn x ideal: -2.663
chem comp atom.model cartn y: 92.488
chem comp atom.model cartn y ideal: 2.977
chem comp atom.model cartn z: 24.997
chem comp atom.model cartn z ideal: -0.775
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C4
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C3
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 93.819
chem comp atom.model cartn x ideal: -2.215
chem comp atom.model cartn y: 93.765
chem comp atom.model cartn y ideal: 4.010
chem comp atom.model cartn z: 24.717
chem comp atom.model cartn z ideal: 0.032
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C6,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C6
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C4
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.616
chem comp atom.model cartn x ideal: -1.990
chem comp atom.model cartn y: 92.151
chem comp atom.model cartn y ideal: 1.770
chem comp atom.model cartn z: 26.316
chem comp atom.model cartn z ideal: -0.789
chem comp atom.pdb atom id: C6
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C7,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C7
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C5
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C7
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 96.651
chem comp atom.model cartn x ideal: -1.175
chem comp atom.model cartn y: 92.597
chem comp atom.model cartn y ideal: -1.333
chem comp atom.model cartn z: 29.399
chem comp atom.model cartn z ideal: -0.362
chem comp atom.pdb atom id: C7
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

P1,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: P1
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: P1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: P1
chem comp atom.charge: 1
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.834
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: 92.632
chem comp atom.model cartn y ideal: 0.002
chem comp atom.model cartn z: 29.117
chem comp atom.model cartn z ideal: -0.003
chem comp atom.pdb atom id: P1
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: P

C1,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C1
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C6
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.496
chem comp atom.model cartn x ideal: -0.875
chem comp atom.model cartn y: 93.103
chem comp atom.model cartn y ideal: 1.590
chem comp atom.model cartn z: 27.374
chem comp atom.model cartn z ideal: 0.008
chem comp atom.pdb atom id: C1
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C3
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C7
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 93.700
chem comp atom.model cartn x ideal: -1.095
chem comp atom.model cartn y: 94.726
chem comp atom.model cartn y ideal: 3.830
chem comp atom.model cartn z: 25.704
chem comp atom.model cartn z ideal: 0.826
chem comp atom.pdb atom id: C3
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C8,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C8
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C8
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C8
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 97.616
chem comp atom.model cartn x ideal: -0.807
chem comp atom.model cartn y: 92.496
chem comp atom.model cartn y ideal: -2.371
chem comp atom.model cartn z: 28.357
chem comp atom.model cartn z ideal: -1.197
chem comp atom.pdb atom id: C8
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C9,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C9
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C9
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C9
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 98.980
chem comp atom.model cartn x ideal: -1.699
chem comp atom.model cartn y: 92.369
chem comp atom.model cartn y ideal: -3.392
chem comp atom.model cartn z: 28.648
chem comp atom.model cartn z ideal: -1.467
chem comp atom.pdb atom id: C9
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C10,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C10
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C10
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C10
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 99.390
chem comp atom.model cartn x ideal: -2.962
chem comp atom.model cartn y: 92.340
chem comp atom.model cartn y ideal: -3.374
chem comp atom.model cartn z: 29.972
chem comp atom.model cartn z ideal: -0.900
chem comp atom.pdb atom id: C10
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C11,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C11
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C11
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C11
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 98.494
chem comp atom.model cartn x ideal: -3.329
chem comp atom.model cartn y: 92.455
chem comp atom.model cartn y ideal: -2.334
chem comp atom.model cartn z: 31.022
chem comp atom.model cartn z ideal: -0.063
chem comp atom.pdb atom id: C11
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C12,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C12
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C12
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C12
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 97.133
chem comp atom.model cartn x ideal: -2.435
chem comp atom.model cartn y: 92.594
chem comp atom.model cartn y ideal: -1.315
chem comp atom.model cartn z: 30.742
chem comp atom.model cartn z ideal: 0.205
chem comp atom.pdb atom id: C12
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C13,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C13
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C13
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C13
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.094
chem comp atom.model cartn x ideal: 0.760
chem comp atom.model cartn y: 93.872
chem comp atom.model cartn y ideal: -0.281
chem comp atom.model cartn z: 30.275
chem comp atom.model cartn z ideal: 1.620
chem comp atom.pdb atom id: C13
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C14,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C14
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C14
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C14
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 92.894
chem comp atom.model cartn x ideal: 0.102
chem comp atom.model cartn y: 93.710
chem comp atom.model cartn y ideal: -1.045
chem comp atom.model cartn z: 31.027
chem comp atom.model cartn z ideal: 2.566
chem comp atom.pdb atom id: C14
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C15,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C15
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C15
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C15
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 92.474
chem comp atom.model cartn x ideal: 0.680
chem comp atom.model cartn y: 94.680
chem comp atom.model cartn y ideal: -1.262
chem comp atom.model cartn z: 31.953
chem comp atom.model cartn z ideal: 3.803
chem comp atom.pdb atom id: C15
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C16,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C16
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C16
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C16
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 93.242
chem comp atom.model cartn x ideal: 1.918
chem comp atom.model cartn y: 95.822
chem comp atom.model cartn y ideal: -0.714
chem comp atom.model cartn z: 32.141
chem comp atom.model cartn z ideal: 4.094
chem comp atom.pdb atom id: C16
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C17,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C17
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C17
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C17
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.413
chem comp atom.model cartn x ideal: 2.575
chem comp atom.model cartn y: 96.031
chem comp atom.model cartn y ideal: 0.051
chem comp atom.model cartn z: 31.435
chem comp atom.model cartn z ideal: 3.145
chem comp atom.pdb atom id: C17
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C18,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C18
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C18
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C18
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.826
chem comp atom.model cartn x ideal: 1.998
chem comp atom.model cartn y: 95.079
chem comp atom.model cartn y ideal: 0.262
chem comp atom.model cartn z: 30.497
chem comp atom.model cartn z ideal: 1.908
chem comp atom.pdb atom id: C18
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C19,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C19
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C19
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C19
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.172
chem comp atom.model cartn x ideal: 1.290
chem comp atom.model cartn y: 90.942
chem comp atom.model cartn y ideal: 0.031
chem comp atom.model cartn z: 29.426
chem comp atom.model cartn z ideal: -1.277
chem comp atom.pdb atom id: C19
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C20,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C20
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C20
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C20
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 95.013
chem comp atom.model cartn x ideal: 1.219
chem comp atom.model cartn y: 89.927
chem comp atom.model cartn y ideal: 0.946
chem comp atom.model cartn z: 29.978
chem comp atom.model cartn z ideal: -2.311
chem comp atom.pdb atom id: C20
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C21,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C21
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C21
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C21
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.598
chem comp atom.model cartn x ideal: 2.202
chem comp atom.model cartn y: 88.593
chem comp atom.model cartn y ideal: 0.969
chem comp atom.model cartn z: 30.046
chem comp atom.model cartn z ideal: -3.283
chem comp atom.pdb atom id: C21
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C22,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C22
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C22
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C22
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 93.340
chem comp atom.model cartn x ideal: 3.258
chem comp atom.model cartn y: 88.248
chem comp atom.model cartn y ideal: 0.075
chem comp atom.model cartn z: 29.582
chem comp atom.model cartn z ideal: -3.220
chem comp atom.pdb atom id: C22
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C23,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C23
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C23
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C23
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 92.463
chem comp atom.model cartn x ideal: 3.328
chem comp atom.model cartn y: 89.200
chem comp atom.model cartn y ideal: -0.841
chem comp atom.model cartn z: 29.084
chem comp atom.model cartn z ideal: -2.184
chem comp atom.pdb atom id: C23
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C24,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: C24
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: C24
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C24
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 92.870
chem comp atom.model cartn x ideal: 2.347
chem comp atom.model cartn y: 90.540
chem comp atom.model cartn y ideal: -0.859
chem comp atom.model cartn z: 29.008
chem comp atom.model cartn z ideal: -1.211
chem comp atom.pdb atom id: C24
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: C

F13,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: F13
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: F1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: F13
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 92.834
chem comp atom.model cartn x ideal: 2.484
chem comp atom.model cartn y: 96.768
chem comp atom.model cartn y ideal: -0.924
chem comp atom.model cartn z: 33.026
chem comp atom.model cartn z ideal: 5.303
chem comp atom.pdb atom id: F13
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: F

F18,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: F18
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: F2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: F18
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 92.974
chem comp atom.model cartn x ideal: 4.219
chem comp atom.model cartn y: 86.940
chem comp atom.model cartn y ideal: 0.097
chem comp atom.model cartn z: 29.602
chem comp atom.model cartn z ideal: -4.170
chem comp atom.pdb atom id: F18
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: F

F3,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: F3
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: F3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: F3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 93.484
chem comp atom.model cartn x ideal: -2.872
chem comp atom.model cartn y: 94.090
chem comp atom.model cartn y ideal: 5.190
chem comp atom.model cartn z: 23.442
chem comp atom.model cartn z ideal: 0.047
chem comp atom.pdb atom id: F3
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: F

F8,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: F8
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: F4
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: F8
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 100.712
chem comp atom.model cartn x ideal: -3.835
chem comp atom.model cartn y: 92.223
chem comp atom.model cartn y ideal: -4.371
chem comp atom.model cartn z: 30.246
chem comp atom.model cartn z ideal: -1.163
chem comp atom.pdb atom id: F8
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: F

H1,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H1
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 93.998
chem comp atom.model cartn x ideal: 0.444
chem comp atom.model cartn y: 95.172
chem comp atom.model cartn y ideal: 2.479
chem comp atom.model cartn z: 27.782
chem comp atom.model cartn z ideal: 1.436
chem comp atom.pdb atom id: H1
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H3
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.387
chem comp atom.model cartn x ideal: -3.534
chem comp atom.model cartn y: 91.760
chem comp atom.model cartn y ideal: 3.117
chem comp atom.model cartn z: 24.206
chem comp atom.model cartn z ideal: -1.397
chem comp atom.pdb atom id: H3
chem comp atom.pdbx ordinal: 31
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H4
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H3
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 94.969
chem comp atom.model cartn x ideal: -2.340
chem comp atom.model cartn y: 91.154
chem comp atom.model cartn y ideal: 0.965
chem comp atom.model cartn z: 26.536
chem comp atom.model cartn z ideal: -1.418
chem comp atom.pdb atom id: H4
chem comp atom.pdbx ordinal: 32
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H2
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H4
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 93.335
chem comp atom.model cartn x ideal: -0.744
chem comp atom.model cartn y: 95.713
chem comp atom.model cartn y ideal: 4.635
chem comp atom.model cartn z: 25.462
chem comp atom.model cartn z ideal: 1.455
chem comp atom.pdb atom id: H2
chem comp atom.pdbx ordinal: 33
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H13,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H13
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H5
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H13
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 97.291
chem comp atom.model cartn x ideal: 0.179
chem comp atom.model cartn y: 92.518
chem comp atom.model cartn y ideal: -2.385
chem comp atom.model cartn z: 27.327
chem comp atom.model cartn z ideal: -1.640
chem comp atom.pdb atom id: H13
chem comp atom.pdbx ordinal: 34
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H14,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H14
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H14
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 99.704
chem comp atom.model cartn x ideal: -1.411
chem comp atom.model cartn y: 92.295
chem comp atom.model cartn y ideal: -4.202
chem comp atom.model cartn z: 27.850
chem comp atom.model cartn z ideal: -2.120
chem comp atom.pdb atom id: H14
chem comp atom.pdbx ordinal: 35
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H15,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H15
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H7
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H15
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 98.843
chem comp atom.model cartn x ideal: -4.314
chem comp atom.model cartn y: 92.437
chem comp atom.model cartn y ideal: -2.319
chem comp atom.model cartn z: 32.044
chem comp atom.model cartn z ideal: 0.380
chem comp atom.pdb atom id: H15
chem comp atom.pdbx ordinal: 36
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H16,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H16
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H8
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H16
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 96.432
chem comp atom.model cartn x ideal: -2.720
chem comp atom.model cartn y: 92.701
chem comp atom.model cartn y ideal: -0.506
chem comp atom.model cartn z: 31.557
chem comp atom.model cartn z ideal: 0.861
chem comp atom.pdb atom id: H16
chem comp atom.pdbx ordinal: 37
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H5
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H9
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H5
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 92.295
chem comp atom.model cartn x ideal: -0.863
chem comp atom.model cartn y: 92.823
chem comp atom.model cartn y ideal: -1.473
chem comp atom.model cartn z: 30.882
chem comp atom.model cartn z ideal: 2.340
chem comp atom.pdb atom id: H5
chem comp atom.pdbx ordinal: 38
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H6,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H6
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H10
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 91.562
chem comp atom.model cartn x ideal: 0.167
chem comp atom.model cartn y: 94.539
chem comp atom.model cartn y ideal: -1.859
chem comp atom.model cartn z: 32.514
chem comp atom.model cartn z ideal: 4.542
chem comp atom.pdb atom id: H6
chem comp atom.pdbx ordinal: 39
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H7,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H7
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H7
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 95.002
chem comp atom.model cartn x ideal: 3.540
chem comp atom.model cartn y: 96.920
chem comp atom.model cartn y ideal: 0.480
chem comp atom.model cartn z: 31.606
chem comp atom.model cartn z ideal: 3.371
chem comp atom.pdb atom id: H7
chem comp atom.pdbx ordinal: 40
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H8,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H8
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H12
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H8
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 95.723
chem comp atom.model cartn x ideal: 2.512
chem comp atom.model cartn y: 95.261
chem comp atom.model cartn y ideal: 0.855
chem comp atom.model cartn z: 29.924
chem comp atom.model cartn z ideal: 1.166
chem comp atom.pdb atom id: H8
chem comp atom.pdbx ordinal: 41
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H9,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H9
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H13
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H9
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 95.990
chem comp atom.model cartn x ideal: 0.396
chem comp atom.model cartn y: 90.196
chem comp atom.model cartn y ideal: 1.642
chem comp atom.model cartn z: 30.351
chem comp atom.model cartn z ideal: -2.360
chem comp atom.pdb atom id: H9
chem comp atom.pdbx ordinal: 42
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H10,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H10
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H14
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H10
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 95.253
chem comp atom.model cartn x ideal: 2.147
chem comp atom.model cartn y: 87.839
chem comp atom.model cartn y ideal: 1.684
chem comp atom.model cartn z: 30.457
chem comp atom.model cartn z ideal: -4.090
chem comp atom.pdb atom id: H10
chem comp atom.pdbx ordinal: 43
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H11,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H11
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H15
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H11
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 91.475
chem comp atom.model cartn x ideal: 4.151
chem comp atom.model cartn y: 88.912
chem comp atom.model cartn y ideal: -1.538
chem comp atom.model cartn z: 28.757
chem comp atom.model cartn z ideal: -2.135
chem comp atom.pdb atom id: H11
chem comp atom.pdbx ordinal: 44
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H12,VCJ,50411
type: chem comp atom
of datablock: info:bmrb/50411
reference to entry: entry
chem comp atom.atom id: H12
chem comp atom.comp id: VCJ
chem comp atom.entry id: 50411
chem comp atom.align: 1
chem comp atom.alt atom id: H16
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H12
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 92.184
chem comp atom.model cartn x ideal: 2.401
chem comp atom.model cartn y: 91.281
chem comp atom.model cartn y ideal: -1.573
chem comp atom.model cartn z: 28.626
chem comp atom.model cartn z ideal: -0.403
chem comp atom.pdb atom id: H12
chem comp atom.pdbx ordinal: 45
chem comp atom.stereo config: N
chem comp atom.type symbol: H

VCJ,50411,1
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: F3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,2
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 2
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,3
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 3
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C3
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,4
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 4
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,5
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 5
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,6
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 6
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: C1
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,7
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 7
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C1
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,8
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 8
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: P1
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,9
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 9
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C9
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,10
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 10
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: C7
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,11
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 11
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C10
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,12
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 12
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C23
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,13
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 13
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C19
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,14
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 14
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: C22
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,15
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 15
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P1
chem comp bond.atom id 2: C7
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,16
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P1
chem comp bond.atom id 2: C19
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,17
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 17
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P1
chem comp bond.atom id 2: C13
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,18
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 18
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C12
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,19
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 19
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: C20
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,20
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 20
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: F18
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,21
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 21
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C22
chem comp bond.atom id 2: C21
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,22
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 22
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: F8
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,23
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 23
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C11
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,24
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 24
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: C21
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,25
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 25
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C18
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,26
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 26
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C13
chem comp bond.atom id 2: C14
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,27
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 27
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C17
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,28
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 28
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: C11
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,29
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 29
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: C15
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,30
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 30
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C16
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

VCJ,50411,31
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 31
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: C16
chem comp bond.ordinal: 31
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,32
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 32
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C16
chem comp bond.atom id 2: F13
chem comp bond.ordinal: 32
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,33
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 33
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H1
chem comp bond.ordinal: 33
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,34
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 34
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H3
chem comp bond.ordinal: 34
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,35
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 35
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H4
chem comp bond.ordinal: 35
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,36
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 36
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 36
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,37
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 37
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H13
chem comp bond.ordinal: 37
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,38
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 38
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H14
chem comp bond.ordinal: 38
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,39
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 39
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H15
chem comp bond.ordinal: 39
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,40
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 40
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C12
chem comp bond.atom id 2: H16
chem comp bond.ordinal: 40
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,41
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 41
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C14
chem comp bond.atom id 2: H5
chem comp bond.ordinal: 41
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,42
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 42
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C15
chem comp bond.atom id 2: H6
chem comp bond.ordinal: 42
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,43
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 43
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: H7
chem comp bond.ordinal: 43
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,44
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 44
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H8
chem comp bond.ordinal: 44
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,45
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 45
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C20
chem comp bond.atom id 2: H9
chem comp bond.ordinal: 45
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,46
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 46
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: H10
chem comp bond.ordinal: 46
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,47
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 47
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C23
chem comp bond.atom id 2: H11
chem comp bond.ordinal: 47
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,50411,48
type: chem comp bond
of datablock: info:bmrb/50411
chem comp bond.comp id: VCJ
chem comp bond.entry id: 50411
chem comp bond.id: 48
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: H12
chem comp bond.ordinal: 48
chem comp bond.stereo config: N
chem comp bond.value order: SING

VCJ,BHXRYKOELHRJEJ-UHFFFAOYSA-N,50411,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/50411
chem comp descriptor.comp id: VCJ
chem comp descriptor.descriptor: BHXRYKOELHRJEJ-UHFFFAOYSA-N
chem comp descriptor.entry id: 50411
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

VCJ,Fc1ccc(cc1)[P+](c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4,50411,CACTVS,3.385,SMILES
type: chem comp descriptor
of datablock: info:bmrb/50411
chem comp descriptor.comp id: VCJ
chem comp descriptor.descriptor: Fc1ccc(cc1)[P+](c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4
chem comp descriptor.entry id: 50411
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.385
chem comp descriptor.type: SMILES

VCJ,Fc1ccc(cc1)[P+](c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4,50411,CACTVS,3.385,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/50411
chem comp descriptor.comp id: VCJ
chem comp descriptor.descriptor: Fc1ccc(cc1)[P+](c2ccc(F)cc2)(c3ccc(F)cc3)c4ccc(F)cc4
chem comp descriptor.entry id: 50411
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.385
chem comp descriptor.type: SMILES_CANONICAL

VCJ,,50411,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/50411
chem comp descriptor.comp id: VCJ
chem comp descriptor.descriptor: InChI=1S/C24H16F4P/c25-17-1-9-21(10-2-17)29(22-11-3-18(26)4-12-22,23-13-5-19(27)6-14-23)24-15-7-20(28)8-16-24/h1-16H/q+1
chem comp descriptor.entry id: 50411
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

VCJ,c1c(ccc(c1)F)[P+](c2ccc(cc2)F)(c3ccc(F)cc3)c4ccc(cc4)F,50411,ACD,12.01,SMILES
type: chem comp descriptor
of datablock: info:bmrb/50411
chem comp descriptor.comp id: VCJ
chem comp descriptor.descriptor: c1c(ccc(c1)F)[P+](c2ccc(cc2)F)(c3ccc(F)cc3)c4ccc(cc4)F
chem comp descriptor.entry id: 50411
chem comp descriptor.program: ACD
chem comp descriptor.program version: 12.01
chem comp descriptor.type: SMILES

VCJ,c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F,50411,OECHEM,2.0.7,SMILES
type: chem comp descriptor
of datablock: info:bmrb/50411
chem comp descriptor.comp id: VCJ
chem comp descriptor.descriptor: c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F
chem comp descriptor.entry id: 50411
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 2.0.7
chem comp descriptor.type: SMILES

VCJ,c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F,50411,OECHEM,2.0.7,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/50411
chem comp descriptor.comp id: VCJ
chem comp descriptor.descriptor: c1cc(ccc1F)[P+](c2ccc(cc2)F)(c3ccc(cc3)F)c4ccc(cc4)F
chem comp descriptor.entry id: 50411
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 2.0.7
chem comp descriptor.type: SMILES_CANONICAL

VCJ,50411,tetrakis(4-fluorophenyl)phosphanium,ACD,12.01,systematic name
type: chem comp identifier
of datablock: info:bmrb/50411
chem comp identifier.comp id: VCJ
chem comp identifier.entry id: 50411
chem comp identifier.identifier: tetrakis(4-fluorophenyl)phosphanium
chem comp identifier.program: ACD
chem comp identifier.program version: 12.01
chem comp identifier.type: systematic name

VCJ,50411,tetrakis(4-fluorophenyl)phosphanium,OECHEM,2.0.7,systematic name
type: chem comp identifier
of datablock: info:bmrb/50411
chem comp identifier.comp id: VCJ
chem comp identifier.entry id: 50411
chem comp identifier.identifier: tetrakis(4-fluorophenyl)phosphanium
chem comp identifier.program: OECHEM
chem comp identifier.program version: 2.0.7
chem comp identifier.type: systematic name

1,50411,1
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 1
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: MET
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: 0.000
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: 504110301

1,50411,2
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 2
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: 2
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: 504110301

1,50411,3
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 3
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.167
chem shift completeness char.comp id: PRO
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.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: 504110301

1,50411,4
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 4
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: 1.000
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: 0.833
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: 0.125
chem shift completeness char.chem shift coverage: 0.313
chem shift completeness char.comp id: TYR
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: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.091
chem shift completeness char.sf id: 504110301

1,50411,5
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 5
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
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.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: 504110301

1,50411,6
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 6
chem shift completeness char.arom chem shift 13c coverage: 0.250
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.125
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.571
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: TYR
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.sc chem shift 13c coverage: 0.400
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.182
chem shift completeness char.sf id: 504110301

1,50411,7
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 7
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.333
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: 0.000
chem shift completeness char.chem shift coverage: 0.143
chem shift completeness char.comp id: LEU
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.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: 504110301

1,50411,8
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 8
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,9
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,10
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
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: 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: 504110301

1,50411,11
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.571
chem shift completeness char.comp id: ILE
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: 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: 0.444
chem shift completeness char.sf id: 504110301

1,50411,12
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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.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: 504110301

1,50411,13
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
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.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: 504110301

1,50411,14
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.167
chem shift completeness char.chem shift coverage: 0.545
chem shift completeness char.comp id: GLU
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: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,15
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 15
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: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.364
chem shift completeness char.comp id: VAL
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.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: 504110301

1,50411,16
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 16
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: ILE
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.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.250
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,17
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,18
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.250
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: THR
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.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: 504110301

1,50411,19
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 19
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: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.556
chem shift completeness char.comp id: THR
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.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: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 504110301

1,50411,20
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 20
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: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.286
chem shift completeness char.comp id: LEU
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.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: 504110301

1,50411,21
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.462
chem shift completeness char.comp id: MET
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: 0.667
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 504110301

1,50411,22
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 504110301

1,50411,23
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 23
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: 0.667
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: 0.333
chem shift completeness char.chem shift 13c coverage: 0.250
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: 0.111
chem shift completeness char.comp id: PHE
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.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: 504110301

1,50411,24
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 24
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: SER
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: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,25
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.167
chem shift completeness char.chem shift coverage: 0.545
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: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,26
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,27
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 27
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: 0.667
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: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.222
chem shift completeness char.comp id: PHE
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.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: 504110301

1,50411,28
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.250
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: THR
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: 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: 504110301

1,50411,29
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.111
chem shift completeness char.chem shift coverage: 0.438
chem shift completeness char.comp id: ARG
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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 504110301

1,50411,30
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.571
chem shift completeness char.comp id: LEU
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: 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: 0.444
chem shift completeness char.sf id: 504110301

1,50411,31
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 31
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: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
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: 0.250
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.200
chem shift completeness char.comp id: TRP
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.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: 504110301

1,50411,32
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 32
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.167
chem shift completeness char.comp id: PRO
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.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: 504110301

1,50411,33
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: SER
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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,34
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.200
chem shift completeness char.chem shift coverage: 0.636
chem shift completeness char.comp id: VAL
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.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: 504110301

1,50411,35
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,36
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 36
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: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.444
chem shift completeness char.comp id: THR
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.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: 504110301

1,50411,37
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 37
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
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.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: 504110301

1,50411,38
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
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.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: 504110301

1,50411,39
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: CYS
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.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: 0.333
chem shift completeness char.sf id: 504110301

1,50411,40
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 40
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: 0.667
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: 0.286
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.250
chem shift completeness char.comp id: TYR
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: 0.000
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: 504110301

1,50411,41
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 41
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: 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: 0.000
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: 504110301

1,50411,42
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 42
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: 0.667
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: 0.571
chem shift completeness char.comp id: ALA
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: 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: 504110301

1,50411,43
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: SER
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.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: 0.333
chem shift completeness char.sf id: 504110301

1,50411,44
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 44
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: 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: 0.000
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: 504110301

1,50411,45
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 45
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: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.250
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: 0.100
chem shift completeness char.comp id: TRP
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.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: 504110301

1,50411,46
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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.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: 504110301

1,50411,47
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 47
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: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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.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: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.222
chem shift completeness char.sf id: 504110301

1,50411,48
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 48
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.667
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: 0.286
chem shift completeness char.comp id: ALA
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: 0.000
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: 504110301

1,50411,49
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.125
chem shift completeness char.chem shift coverage: 0.429
chem shift completeness char.comp id: GLN
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.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: 0.000
chem shift completeness char.sc chem shift coverage: 0.222
chem shift completeness char.sf id: 504110301

1,50411,50
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 50
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: 50
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: 504110301

1,50411,51
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 51
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.333
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: 0.000
chem shift completeness char.chem shift coverage: 0.143
chem shift completeness char.comp id: LEU
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: 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: 504110301

1,50411,52
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.333
chem shift completeness char.chem shift coverage: 0.714
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: 504110301

1,50411,53
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 53
chem shift completeness char.arom chem shift 13c coverage: 0.500
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.250
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.714
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.438
chem shift completeness char.comp id: TYR
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: 0.600
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 504110301

1,50411,54
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 54
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: 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: 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: 504110301

1,50411,55
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 55
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.167
chem shift completeness char.comp id: PRO
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: 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: 504110301

1,50411,56
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.250
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: THR
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.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: 504110301

1,50411,57
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 57
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,58
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: ILE
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.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.250
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,59
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
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.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: 504110301

1,50411,60
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.125
chem shift completeness char.chem shift coverage: 0.313
chem shift completeness char.comp id: TYR
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: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.091
chem shift completeness char.sf id: 504110301

1,50411,61
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 61
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: 0.667
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: 0.571
chem shift completeness char.comp id: ALA
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.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: 504110301

1,50411,62
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.571
chem shift completeness char.comp id: ILE
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.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: 0.444
chem shift completeness char.sf id: 504110301

1,50411,63
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 63
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 0.167
chem shift completeness char.arom chem shift coverage: 0.167
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.200
chem shift completeness char.chem shift coverage: 0.350
chem shift completeness char.comp id: TRP
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: 0.167
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.125
chem shift completeness char.sc chem shift coverage: 0.200
chem shift completeness char.sf id: 504110301

1,50411,64
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: VAL
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.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: 504110301

1,50411,65
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 65
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,66
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 66
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.400
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: 0.182
chem shift completeness char.comp id: VAL
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.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: 504110301

1,50411,67
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,68
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
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.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: 504110301

1,50411,69
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.200
chem shift completeness char.chem shift coverage: 0.545
chem shift completeness char.comp id: VAL
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: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.250
chem shift completeness char.sc chem shift 13c coverage: 0.667
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,70
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.429
chem shift completeness char.comp id: LEU
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.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: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.222
chem shift completeness char.sf id: 504110301

1,50411,71
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 71
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
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.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: 504110301

1,50411,72
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: SER
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.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: 0.333
chem shift completeness char.sf id: 504110301

1,50411,73
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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.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: 504110301

1,50411,74
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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: 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: 504110301

1,50411,75
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: SER
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.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: 0.333
chem shift completeness char.sf id: 504110301

1,50411,76
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 76
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: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.100
chem shift completeness char.chem shift coverage: 0.250
chem shift completeness char.comp id: TRP
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: 0.167
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: 0.067
chem shift completeness char.sf id: 504110301

1,50411,77
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,78
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 78
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: 0.667
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: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.222
chem shift completeness char.comp id: PHE
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.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: 504110301

1,50411,79
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 79
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: 1.000
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: 0.833
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: 0.111
chem shift completeness char.chem shift coverage: 0.278
chem shift completeness char.comp id: PHE
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: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.077
chem shift completeness char.sf id: 504110301

1,50411,80
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,81
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 81
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: 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: 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: 504110301

1,50411,82
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.111
chem shift completeness char.chem shift coverage: 0.438
chem shift completeness char.comp id: ARG
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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 504110301

1,50411,83
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 83
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: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.286
chem shift completeness char.comp id: LEU
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.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: 504110301

1,50411,84
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 84
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: ASP
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: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,85
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 85
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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.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: 504110301

1,50411,86
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 86
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.167
chem shift completeness char.comp id: PRO
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: 0.000
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: 504110301

1,50411,87
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 87
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
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: 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: 504110301

1,50411,88
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 88
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: ILE
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: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.250
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,89
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 89
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.333
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: 0.000
chem shift completeness char.chem shift coverage: 0.143
chem shift completeness char.comp id: ILE
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.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: 504110301

1,50411,90
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 90
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,91
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.385
chem shift completeness char.comp id: MET
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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.125
chem shift completeness char.sf id: 504110301

1,50411,92
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.385
chem shift completeness char.comp id: MET
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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.125
chem shift completeness char.sf id: 504110301

1,50411,93
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: LEU
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: 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: 504110301

1,50411,94
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: ILE
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.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: 504110301

1,50411,95
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 95
chem shift completeness char.bb chem shift 13c coverage: 0.333
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: 0.167
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: 0.000
chem shift completeness char.chem shift coverage: 0.125
chem shift completeness char.comp id: CYS
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: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,96
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 96
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.667
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: 0.286
chem shift completeness char.comp id: ALA
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.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: 504110301

1,50411,97
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.333
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 504110301

1,50411,98
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 98
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: 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: 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: 504110301

1,50411,99
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 99
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: 99
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: 504110301

1,50411,100
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 100
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: 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: 504110301

1,50411,101
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 101
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: 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: 504110301

1,50411,102
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: ASN
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: 1.000
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: 0.167
chem shift completeness char.sf id: 504110301

1,50411,103
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: LEU
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: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.250
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,104
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.143
chem shift completeness char.chem shift coverage: 0.429
chem shift completeness char.comp id: LEU
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.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: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.222
chem shift completeness char.sf id: 504110301

1,50411,105
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
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: 0.250
chem shift completeness char.chem shift coverage: 0.625
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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 504110301

1,50411,106
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: ARG
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: 0.667
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: 0.182
chem shift completeness char.sf id: 504110301

1,50411,107
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 107
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: 107
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: 504110301

1,50411,108
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 108
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: 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: 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: 504110301

1,50411,109
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 109
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: 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: 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: 504110301

1,50411,110
type: chem shift completeness char
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50411
chem shift completeness char.id: 110
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: HIS
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: 0.000
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: 504110301

1,50411
type: chem shift completeness list
of datablock: info:bmrb/50411
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 50411
chem shift completeness list.arom chem shift 13c fraction: 3/67
chem shift completeness list.arom chem shift 15n fraction: 1/4
chem shift completeness list.arom chem shift 1h fraction: 1/71
chem shift completeness list.arom chem shift fraction: 5/142
chem shift completeness list.assigned residue coverage: 0.855
chem shift completeness list.bb chem shift 13c fraction: 243/318
chem shift completeness list.bb chem shift 15n fraction: 81/105
chem shift completeness list.bb chem shift 1h fraction: 82/227
chem shift completeness list.bb chem shift fraction: 406/650
chem shift completeness list.chem shift 13c fraction: 284/528
chem shift completeness list.chem shift 15n fraction: 82/116
chem shift completeness list.chem shift 1h fraction: 86/653
chem shift completeness list.chem shift fraction: 452/1297
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr50411_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 24/90
chem shift completeness list.methyl chem shift 1h fraction: 2/90
chem shift completeness list.methyl chem shift fraction: 26/180
chem shift completeness list.output file name: bmr50411_chem_shift_completeness.str
chem shift completeness list.queried date: 2021-08-24Z
chem shift completeness list.sc chem shift 13c fraction: 99/308
chem shift completeness list.sc chem shift 15n fraction: 1/11
chem shift completeness list.sc chem shift 1h fraction: 4/426
chem shift completeness list.sc chem shift fraction: 104/745
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: 504110301

1,50411,1
type: chem shift experiment
of datablock: info:bmrb/50411
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50411
chem shift experiment.experiment id: 1
chem shift experiment.experiment name: 3D solid-state hCANH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50411,2
type: chem shift experiment
of datablock: info:bmrb/50411
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50411
chem shift experiment.experiment id: 2
chem shift experiment.experiment name: 3D solid-state hCONH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50411,3
type: chem shift experiment
of datablock: info:bmrb/50411
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50411
chem shift experiment.experiment id: 3
chem shift experiment.experiment name: 3D solid-state hCA(CO)NH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50411,4
type: chem shift experiment
of datablock: info:bmrb/50411
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50411
chem shift experiment.experiment id: 4
chem shift experiment.experiment name: 3D solid-state hCO(CA)NH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50411,5
type: chem shift experiment
of datablock: info:bmrb/50411
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50411
chem shift experiment.experiment id: 5
chem shift experiment.experiment name: 2D CC CORD
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50411,6
type: chem shift experiment
of datablock: info:bmrb/50411
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50411
chem shift experiment.experiment id: 6
chem shift experiment.experiment name: 3D NCACX
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,50411,10
type: chem shift experiment
of datablock: info:bmrb/50411
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 50411
chem shift experiment.experiment id: 10
chem shift experiment.experiment name: 2D solid-state hNH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

13,C,1,50411,adamantane
type: chem shift ref
of datablock: info:bmrb/50411
chem shift ref.atom isotope number: 13
chem shift ref.atom type: C
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 50411
chem shift ref.mol common name: adamantane
chem shift ref.atom group: carbon
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 40.48
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1.0
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: external
chem shift ref.ref type: direct

1,H,1,50411,DSS
type: chem shift ref
of datablock: info:bmrb/50411
chem shift ref.atom isotope number: 1
chem shift ref.atom type: H
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 50411
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1.0
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: external
chem shift ref.ref type: direct

15,N,1,50411,NAV
type: chem shift ref
of datablock: info:bmrb/50411
chem shift ref.atom isotope number: 15
chem shift ref.atom type: N
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 50411
chem shift ref.mol common name: NAV
chem shift ref.atom group: nitrogen
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 122.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1.0
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: external
chem shift ref.ref type: direct

50411,1
type: chem shift reference
of datablock: info:bmrb/50411
reference to entry: entry
chem shift reference.entry id: 50411
chem shift reference.id: 1
chem shift reference.name: chem_shift_reference
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chem_shift_reference_1

1,50411,2
type: chem shift software
of datablock: info:bmrb/50411
chem shift software.assigned chem shift list id: 1
chem shift software.entry id: 50411
chem shift software.software id: 2
chem shift software.method id: 0
chem shift software.software label: software_2

50411,1
type: citation
of datablock: info:bmrb/50411
reference to entry: entry
citation.entry id: 50411
citation.id: 1
citation.class: entry citation
citation.doi: 10.1038/s41467-020-20468-7
citation.journal abbrev: Nat. Commun.
citation.journal issue: 1
citation.journal name full: Nature communications
citation.journal volume: 12
citation.page first: 172
citation.page last: 172
citation.pubmed id: 33420032
citation.sf category: citations
citation.sf framecode: citations_1
citation.status: published
citation.title: Structure and dynamics of the drug-bound bacterial transporter EmrE in lipid bilayers.
citation.type: journal
citation.year: 2021

info:doi/10.1038/s41467-020-20468-7

doi:10.1038/s41467-020-20468-7

info:pmid/33420032

pubmed:33420032

1,50411,1
type: citation author
of datablock: info:bmrb/50411
citation author.citation id: 1
citation author.entry id: 50411
citation author.ordinal: 1
citation author.family name: Shcherbakov
citation author.given name: Alexander
citation author.middle initials: A.
citation author.pdbx name: Shcherbakov, A.A.

1,50411,2
type: citation author
of datablock: info:bmrb/50411
citation author.citation id: 1
citation author.entry id: 50411
citation author.ordinal: 2
citation author.family name: Hisao
citation author.given name: Grant
citation author.pdbx name: Hisao, G.

1,50411,3
type: citation author
of datablock: info:bmrb/50411
citation author.citation id: 1
citation author.entry id: 50411
citation author.ordinal: 3
citation author.family name: Mandala
citation author.given name: Venkata
citation author.middle initials: S.
citation author.pdbx name: Mandala, V.S.

1,50411,4
type: citation author
of datablock: info:bmrb/50411
citation author.citation id: 1
citation author.entry id: 50411
citation author.ordinal: 4
citation author.family name: Thomas
citation author.given name: Nathan
citation author.middle initials: E.
citation author.pdbx name: Thomas, N.E.

1,50411,5
type: citation author
of datablock: info:bmrb/50411
citation author.citation id: 1
citation author.entry id: 50411
citation author.ordinal: 5
citation author.family name: Soltani
citation author.given name: Mohammad
citation author.pdbx name: Soltani, M.

1,50411,6
type: citation author
of datablock: info:bmrb/50411
citation author.citation id: 1
citation author.entry id: 50411
citation author.ordinal: 6
citation author.family name: Salter
citation author.first initial: E.
citation author.given name: E.
citation author.middle initials: A.
citation author.pdbx name: Salter, E.A.

1,50411,7
type: citation author
of datablock: info:bmrb/50411
citation author.citation id: 1
citation author.entry id: 50411
citation author.ordinal: 7
citation author.family name: Davis
citation author.family title: Jr.
citation author.given name: James
citation author.middle initials: H.
citation author.pdbx name: Davis, J.H.

1,50411,8
type: citation author
of datablock: info:bmrb/50411
citation author.citation id: 1
citation author.entry id: 50411
citation author.ordinal: 8
citation author.family name: Henzler-Wildman
citation author.given name: Katherine
citation author.middle initials: A.
citation author.pdbx name: Henzler-Wildman, K.A.

1,50411,9
type: citation author
of datablock: info:bmrb/50411
citation author.citation id: 1
citation author.entry id: 50411
citation author.ordinal: 9
citation author.family name: Hong
citation author.given name: Mei
citation author.pdbx name: Hong, M.

50411,assigned chemical shifts
type: data set
of datablock: info:bmrb/50411
reference to entry: entry
data set.entry id: 50411
data set.type: assigned_chemical_shifts
data set.count: 1

50411,13C chemical shifts
type: datum
of datablock: info:bmrb/50411
reference to entry: entry
datum.entry id: 50411
datum.type: 13C chemical shifts
datum.count: 459

50411,15N chemical shifts
type: datum
of datablock: info:bmrb/50411
reference to entry: entry
datum.entry id: 50411
datum.type: 15N chemical shifts
datum.count: 135

50411,1H chemical shifts
type: datum
of datablock: info:bmrb/50411
reference to entry: entry
datum.entry id: 50411
datum.type: 1H chemical shifts
datum.count: 133

50411,1
type: entity
of datablock: info:bmrb/50411
reference to entry: entry
entity.entry id: 50411
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 11970.29
entity.mutation: S64V
entity.name: entity 1
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.number of monomers: 110
entity.paramagnetic: no
entity.parent entity id: 1
entity.polymer author defined seq: A and B monomer both numbered 1-110; A monomer Entity_assembly.ID = 1, B monomer Entity_assembly.ID = 2.
entity.polymer seq one letter code: MNPYIYLGGAILAEVIGTTLMKFSEGFTRLWPSVGTIICYCASFWLLAQTLAYIPTGIAYAIWVGVGIVLISLLSWGFFGQRLDLPAIIGMMLICAGVLIINLLSRSTPH
entity.polymer seq one letter code can: MNPYIYLGGAILAEVIGTTLMKFSEGFTRLWPSVGTIICYCASFWLLAQTLAYIPTGIAYAIWVGVGIVLISLLSWGFFGQRLDLPAIIGMMLICAGVLIINLLSRSTPH
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: entity_1
entity.thiol state: all free
entity.type: polymer

50411,2
type: entity
of datablock: info:bmrb/50411
reference to entry: entry
entity.entry id: 50411
entity.id: 2
entity.bmrb code: VCJ
entity.formula weight: 411.351
entity.name: tetrakis(4-fluorophenyl)phosphanium
entity.nonpolymer comp id: VCJ
entity.nonpolymer comp label: chem_comp_VCJ
entity.number of nonpolymer components: 1
entity.parent entity id: 0
entity.polymer seq one letter code can: (VCJ)
entity.sf category: entity
entity.sf framecode: entity_VCJ
entity.type: non-polymer

1,50411,1
type: entity assembly
of datablock: info:bmrb/50411
entity assembly.assembly id: 1
entity assembly.entry id: 50411
entity assembly.id: 1
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: EmrE S64V Mutant, A monomer
entity assembly.entity id: 1
entity assembly.entity label: entity_1
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,50411,2
type: entity assembly
of datablock: info:bmrb/50411
entity assembly.assembly id: 1
entity assembly.entry id: 50411
entity assembly.id: 2
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: EmrE S64V Mutant, B monomer
entity assembly.entity id: 1
entity assembly.entity label: entity_1
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,50411,3
type: entity assembly
of datablock: info:bmrb/50411
entity assembly.assembly id: 1
entity assembly.entry id: 50411
entity assembly.id: 3
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: F4TPP
entity assembly.entity id: 2
entity assembly.entity label: entity_VCJ
entity assembly.experimental data reported: no
entity assembly.physical state: native

2,50411,tetrakis(4-fluorophenyl)phosphanium,BMRB
type: entity common name
of datablock: info:bmrb/50411
entity common name.entity id: 2
entity common name.entry id: 50411
entity common name.name: tetrakis(4-fluorophenyl)phosphanium
entity common name.type: BMRB

1,50411,1
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 1
entity comp index.comp id: MET

1,50411,2
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 2
entity comp index.comp id: ASN

1,50411,3
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 3
entity comp index.comp id: PRO

1,50411,4
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 4
entity comp index.comp id: TYR

1,50411,5
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 5
entity comp index.comp id: ILE

1,50411,6
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 6
entity comp index.comp id: TYR

1,50411,7
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 7
entity comp index.comp id: LEU

1,50411,8
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 8
entity comp index.comp id: GLY

1,50411,9
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 9
entity comp index.comp id: GLY

1,50411,10
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 10
entity comp index.comp id: ALA

1,50411,11
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 11
entity comp index.comp id: ILE

1,50411,12
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 12
entity comp index.comp id: LEU

1,50411,13
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 13
entity comp index.comp id: ALA

1,50411,14
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 14
entity comp index.comp id: GLU

1,50411,15
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 15
entity comp index.comp id: VAL

1,50411,16
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 16
entity comp index.comp id: ILE

1,50411,17
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 17
entity comp index.comp id: GLY

1,50411,18
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 18
entity comp index.comp id: THR

1,50411,19
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 19
entity comp index.comp id: THR

1,50411,20
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 20
entity comp index.comp id: LEU

1,50411,21
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 21
entity comp index.comp id: MET

1,50411,22
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 22
entity comp index.comp id: LYS

1,50411,23
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 23
entity comp index.comp id: PHE

1,50411,24
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 24
entity comp index.comp id: SER

1,50411,25
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 25
entity comp index.comp id: GLU

1,50411,26
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 26
entity comp index.comp id: GLY

1,50411,27
type: entity comp index
of datablock: info:bmrb/50411
entity comp index.entity id: 1
entity comp index.entry id: 50411
entity comp index.id: 27
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info:taxonomy/562

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http://bmrbpub.pdbj.org/rdf/bmr50411/entry/50411
type: entry
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entry.id: 50411
entry.accession date: 2020-07-26Z
entry.experimental method: NMR
entry.experimental method subtype: solid-state
entry.last release date: 2020-07-26Z
entry.nmr star version: 3.2.14.0
entry.original nmr star version: 3.1
entry.original release date: 2020-07-26Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information_1
entry.submission date: 2020-07-26Z
entry.title: EmrE S64V Mutant Bound to tetra(4-fluorophenyl)phosphonium at pH 5.8
entry.type: macromolecule
entry.version type: original

50411,1
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entry author.ordinal: 1
entry author.family name: Shcherbakov
entry author.given name: Alexander
entry author.middle initials: A.
entry author.orcid: 0000-0002-5728-7175
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entry author.ordinal: 2
entry author.family name: Hong
entry author.given name: Mei
entry author.orcid: 0000-0001-5255-5858
entry author.pdbx name: Hong, M.

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50411,1,1
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experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D solid-state hCONH
experiment.nmr spectrometer id: 1
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experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50411,1,3
type: experiment
of datablock: info:bmrb/50411
experiment.entry id: 50411
experiment.experiment list id: 1
experiment.id: 3
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D solid-state hCA(CO)NH
experiment.nmr spectrometer id: 2
experiment.nmr spectrometer label: NMR_spectrometer_2
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experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
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experiment.sample state: isotropic

50411,1,4
type: experiment
of datablock: info:bmrb/50411
experiment.entry id: 50411
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experiment.id: 4
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D solid-state hCO(CA)NH
experiment.nmr spectrometer id: 2
experiment.nmr spectrometer label: NMR_spectrometer_2
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50411,1,5
type: experiment
of datablock: info:bmrb/50411
experiment.entry id: 50411
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experiment.id: 5
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D CC CORD
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 3
experiment.sample label: sample_3
experiment.sample state: isotropic

50411,1,6
type: experiment
of datablock: info:bmrb/50411
experiment.entry id: 50411
experiment.experiment list id: 1
experiment.id: 6
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D NCACX
experiment.nmr spectrometer id: 3
experiment.nmr spectrometer label: NMR_spectrometer_3
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 3
experiment.sample label: sample_3
experiment.sample state: isotropic

50411,1,7
type: experiment
of datablock: info:bmrb/50411
experiment.entry id: 50411
experiment.experiment list id: 1
experiment.id: 7
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 1D 19F
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: NMR_spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

50411,1,8
type: experiment
of datablock: info:bmrb/50411
experiment.entry id: 50411
experiment.experiment list id: 1
experiment.id: 8
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D FF Exchange
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: NMR_spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

50411,1,9
type: experiment
of datablock: info:bmrb/50411
experiment.entry id: 50411
experiment.experiment list id: 1
experiment.id: 9
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 19F-13C Double-Quantum Cross Polarization
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: NMR_spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

50411,1,10
type: experiment
of datablock: info:bmrb/50411
experiment.entry id: 50411
experiment.experiment list id: 1
experiment.id: 10
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D solid-state hNH
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: NMR_spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50411,1,11
type: experiment
of datablock: info:bmrb/50411
experiment.entry id: 50411
experiment.experiment list id: 1
experiment.id: 11
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 1D 13C-19F REDOR
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: NMR_spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

50411,1,12
type: experiment
of datablock: info:bmrb/50411
experiment.entry id: 50411
experiment.experiment list id: 1
experiment.id: 12
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 2D hNH-resolved 1H-19F REDOR
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: NMR_spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 2
experiment.sample label: sample_2
experiment.sample state: isotropic

50411,1
type: experiment list
of datablock: info:bmrb/50411
reference to entry: entry
experiment list.entry id: 50411
experiment list.id: 1
experiment list.sf category: experiment_list
experiment list.sf framecode: experiment_list_1

50411,1
type: nmr spectrometer
of datablock: info:bmrb/50411
reference to entry: entry
nmr spectrometer.entry id: 50411
nmr spectrometer.id: 1
nmr spectrometer.field strength: 600
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: AVANCE III
nmr spectrometer.name: NMR_spectrometer_1
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: NMR_spectrometer_1

50411,2
type: nmr spectrometer
of datablock: info:bmrb/50411
reference to entry: entry
nmr spectrometer.entry id: 50411
nmr spectrometer.id: 2
nmr spectrometer.field strength: 700
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: AVANCE NEO
nmr spectrometer.name: NMR_spectrometer_2
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: NMR_spectrometer_2

50411,3
type: nmr spectrometer
of datablock: info:bmrb/50411
reference to entry: entry
nmr spectrometer.entry id: 50411
nmr spectrometer.id: 3
nmr spectrometer.field strength: 800
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: Avance II
nmr spectrometer.name: NMR_spectrometer_3
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: NMR_spectrometer_3

7JK8,PDB,50411
type: related entries
of datablock: info:bmrb/50411
reference to entry: entry
related entries.database accession code: 7JK8
related entries.database name: PDB
related entries.entry id: 50411
related entries.relationship: EmrE S64V Mutant Bound to tetra(4-fluorophenyl)phosphonium

info:pdb/7JK8

pdb:7JK8

50411,2
type: release
of datablock: info:bmrb/50411
reference to entry: entry
release.entry id: 50411
release.release number: 2
release.author: BMRB
release.date: 2021-04-12Z
release.detail: update entry citation
release.submission date: 2020-07-26Z
release.type: update

50411,1
type: release
of datablock: info:bmrb/50411
reference to entry: entry
release.entry id: 50411
release.release number: 1
release.author: author
release.date: 2020-11-29Z
release.detail: original release
release.submission date: 2020-07-26Z
release.type: original

50411,1
type: sample
of datablock: info:bmrb/50411
reference to entry: entry
sample.entry id: 50411
sample.id: 1
sample.aggregate sample number: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.details: U-C,N-labelled S64V EmrE, with F4-TPP in DMPC bilayers at 1:25 P:L ratio.
sample.name: CHN-S64V-EmrE-F4TPP-1:25PL
sample.sf category: sample
sample.sf framecode: sample_1
sample.solvent system: aqueous buffer
sample.type: liposome

50411,2
type: sample
of datablock: info:bmrb/50411
reference to entry: entry
sample.entry id: 50411
sample.id: 2
sample.aggregate sample number: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.details: U-C,D,N-labelled S64V EmrE, with F4-TPP in d54-DMPC bilayers at 1:25 P:L ratio.
sample.name: CDN-S64V-EmrE-F4TPP-1:25PL
sample.sf category: sample
sample.sf framecode: sample_2
sample.solvent system: aqueous buffer
sample.type: liposome

50411,3
type: sample
of datablock: info:bmrb/50411
reference to entry: entry
sample.entry id: 50411
sample.id: 3
sample.aggregate sample number: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.details: U-C,N-labelled S64V EmrE, with F4-TPP in DMPC bilayers at 1:50 P:L ratio.
sample.name: CHN-S64V-EmrE-F4TPP-1:50PL
sample.sf category: sample
sample.sf framecode: sample_3
sample.solvent system: aqueous buffer
sample.type: liposome

50411,1,1
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 0
sample component.concentration val: 0.26
sample component.concentration val units: mg/uL
sample component.entity id: 1
sample component.entity label: entity_1
sample component.isotopic labeling: [U-99% 13C; U-99% 15N]
sample component.mol common name: EmrE-S64V

50411,2,1
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 9.5
sample component.concentration val units: ug/uL
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: F4TPP

50411,3,1
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 0.41
sample component.concentration val units: mg/uL
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: DMPC

50411,4,1
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 4
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 50
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: MES

50411,5,1
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 5
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 20
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium chloride

50411,6,2
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 6
sample component.sample id: 2
sample component.assembly id: 0
sample component.concentration val: 0.27
sample component.concentration val units: mg/uL
sample component.entity id: 1
sample component.entity label: entity_1
sample component.isotopic labeling: [U-13C; U-15N; U-2H]
sample component.mol common name: EmrE-S64V

50411,7,2
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 7
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 9.5
sample component.concentration val units: ug/uL
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: F4TPP

50411,8,2
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 8
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 0.44
sample component.concentration val units: mg/uL
sample component.entity id: 0
sample component.isotopic labeling: [U-99% 2H]
sample component.mol common name: d54-DMPC

50411,9,2
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 9
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 50
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: MES

50411,10,2
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 10
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 20
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium chloride

50411,11,3
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 11
sample component.sample id: 3
sample component.assembly id: 0
sample component.concentration val: 0.13
sample component.concentration val units: mg/uL
sample component.entity id: 1
sample component.entity label: entity_1
sample component.isotopic labeling: [U-99% 15N]
sample component.mol common name: EmrE-S64V

50411,12,3
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 12
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 5.4
sample component.concentration val units: ug/uL
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: F4TPP

50411,13,3
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 13
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 0.46
sample component.concentration val units: mg/uL
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: DMPC

50411,14,3
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 14
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 50
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: MES

50411,15,3
type: sample component
of datablock: info:bmrb/50411
sample component.entry id: 50411
sample component.id: 15
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 20
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium chloride

50411,1
type: sample condition list
of datablock: info:bmrb/50411
reference to entry: entry
sample condition list.entry id: 50411
sample condition list.id: 1
sample condition list.name: sample_conditions_1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

50411,1,ionic strength
type: sample condition variable
of datablock: info:bmrb/50411
sample condition variable.entry id: 50411
sample condition variable.sample condition list id: 1
sample condition variable.type: ionic strength
sample condition variable.val: 0.07
sample condition variable.val units: M

50411,1,pH
type: sample condition variable
of datablock: info:bmrb/50411
sample condition variable.entry id: 50411
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 5.8
sample condition variable.val units: pH

50411,1,pressure
type: sample condition variable
of datablock: info:bmrb/50411
sample condition variable.entry id: 50411
sample condition variable.sample condition list id: 1
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

50411,1,temperature
type: sample condition variable
of datablock: info:bmrb/50411
sample condition variable.entry id: 50411
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 285
sample condition variable.val units: K

50411,1
type: software
of datablock: info:bmrb/50411
reference to entry: entry
software.entry id: 50411
software.id: 1
software.name: HADDOCK
software.sf category: software
software.sf framecode: software_1
software.version: Webserver 2.4

50411,2
type: software
of datablock: info:bmrb/50411
reference to entry: entry
software.entry id: 50411
software.id: 2
software.name: TOPSPIN
software.sf category: software
software.sf framecode: software_2
software.version: 2.1-4.0

50411,3
type: software
of datablock: info:bmrb/50411
reference to entry: entry
software.entry id: 50411
software.id: 3
software.name: NMRFAM-SPARKY
software.sf category: software
software.sf framecode: software_3
software.version: 1.414, 1.470

50411,4
type: software
of datablock: info:bmrb/50411
reference to entry: entry
software.entry id: 50411
software.id: 4
software.name: GROMACS
software.sf category: software
software.sf framecode: software_4
software.version: 2019.1

50411,3,chemical shift assignment
type: task
of datablock: info:bmrb/50411
task.entry id: 50411
task.software id: 3
task.task: chemical shift assignment

50411,2,processing
type: task
of datablock: info:bmrb/50411
task.entry id: 50411
task.software id: 2
task.task: processing

50411,4,refinement
type: task
of datablock: info:bmrb/50411
task.entry id: 50411
task.software id: 4
task.task: refinement

50411,1,structure solution
type: task
of datablock: info:bmrb/50411
task.entry id: 50411
task.software id: 1
task.task: structure solution