info:bmrb/51847
type: datablock
references: doi:10.13018/BMR51847
alternative label: bmr51847
title: cyanomet cGlbN
datablock name: 51847
has assembly category: assemblyCategory
has assembly interaction category: assembly interactionCategory
has assigned chem shift list category: assigned chem shift listCategory
has atom chem shift category: atom chem shiftCategory
has bond category: bondCategory
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has chem comp descriptor category: chem comp descriptorCategory
has chem comp identifier category: chem comp identifierCategory
has chem shift 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 citation keyword category: citation keywordCategory
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
has experiment category: experimentCategory
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

51847,1
type: assembly
of datablock: info:bmrb/51847
reference to entry: entry
assembly.entry id: 51847
assembly.id: 1
assembly.ambiguous conformational states: yes
assembly.details: There are two heme insertion isomers. Shifts are provided for the holoprotein with heme oriented as in Synechocystis sp. PCC 6803.GlbN (PDB ID 1MWB).
assembly.metal ions: 1
assembly.molecules in chemical exchange: yes
assembly.name: Holoprotein
assembly.non standard bonds: yes
assembly.number of components: 3
assembly.organic ligands: 1
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: assembly_1

1,51847,1
type: assembly interaction
of datablock: info:bmrb/51847
assembly interaction.assembly id: 1
assembly interaction.entry id: 51847
assembly interaction.id: 1
assembly interaction.entity assembly id 1: 1
assembly interaction.entity assembly id 2: 2
assembly interaction.mol interaction type: Extremely slow exchange

1,51847,2
type: assembly interaction
of datablock: info:bmrb/51847
assembly interaction.assembly id: 1
assembly interaction.entry id: 51847
assembly interaction.id: 2
assembly interaction.entity assembly id 1: 2
assembly interaction.entity assembly id 2: 3
assembly interaction.mol interaction type: Extremely slow exchange

51847,1
type: assigned chem shift list
of datablock: info:bmrb/51847
reference to entry: entry
assigned chem shift list.entry id: 51847
assigned chem shift list.id: 1
assigned chem shift list.chem shift 13c err: 0.3
assigned chem shift list.chem shift 15n err: 0.3
assigned chem shift list.chem shift 1h err: 0.03
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chem_shift_reference_1
assigned chem shift list.name: list_1
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

51847,2
type: assigned chem shift list
of datablock: info:bmrb/51847
reference to entry: entry
assigned chem shift list.entry id: 51847
assigned chem shift list.id: 2
assigned chem shift list.chem shift 1h err: 0.05
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chem_shift_reference_1
assigned chem shift list.name: list_2
assigned chem shift list.sample condition list id: 2
assigned chem shift list.sample condition list label: sample_conditions_2
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: assigned_chemical_shifts_2

1,51847,1
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 1
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 3
atom chem shift.comp id: SER
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 4.55
atom chem shift.val err: 0.03

1,51847,2
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 2
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: 3
atom chem shift.comp id: SER
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 174.6
atom chem shift.val err: 0.3

1,51847,3
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 3
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: 3
atom chem shift.comp id: SER
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 57.8
atom chem shift.val err: 0.3

1,51847,4
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 4
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: 3
atom chem shift.comp id: SER
atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 65.3
atom chem shift.val err: 0.3

1,51847,5
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 5
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: 4
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 9.29
atom chem shift.val err: 0.03

1,51847,6
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 6
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 4
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 4.02
atom chem shift.val err: 0.03

1,51847,7
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 7
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: 4
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 177.5
atom chem shift.val err: 0.3

1,51847,8
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 8
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: 4
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 58.6
atom chem shift.val err: 0.3

1,51847,9
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 9
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: 4
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 41.3
atom chem shift.val err: 0.3

1,51847,10
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 10
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: 4
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 124.8
atom chem shift.val err: 0.3

1,51847,11
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 11
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: 5
atom chem shift.comp id: TYR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 8.29
atom chem shift.val err: 0.03

1,51847,12
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 12
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 5
atom chem shift.comp id: TYR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 3.91
atom chem shift.val err: 0.03

1,51847,13
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 13
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: 5
atom chem shift.comp id: TYR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 175.9
atom chem shift.val err: 0.3

1,51847,14
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 14
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: 5
atom chem shift.comp id: TYR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 60.6
atom chem shift.val err: 0.3

1,51847,15
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 15
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: 5
atom chem shift.comp id: TYR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 38.6
atom chem shift.val err: 0.3

1,51847,16
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 16
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: 5
atom chem shift.comp id: TYR
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 117
atom chem shift.val err: 0.3

1,51847,17
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 17
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
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 6
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 8.04
atom chem shift.val err: 0.03

1,51847,18
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 18
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 6
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 3.66
atom chem shift.val err: 0.03

1,51847,19
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 19
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: 6
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 180.7
atom chem shift.val err: 0.3

1,51847,20
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 20
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: 6
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 59.4
atom chem shift.val err: 0.3

1,51847,21
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 21
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: 6
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 29.8
atom chem shift.val err: 0.3

1,51847,22
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 22
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: GLU
atom chem shift.auth seq id: 6
atom chem shift.comp id: GLU
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 118.9
atom chem shift.val err: 0.3

1,51847,23
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 23
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
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 7
atom chem shift.comp id: ARG
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 8.52
atom chem shift.val err: 0.03

1,51847,24
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 24
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 6
atom chem shift.val: 3.99
atom chem shift.val err: 0.03

1,51847,25
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 25
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: 7
atom chem shift.comp id: ARG
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 178.4
atom chem shift.val err: 0.3

1,51847,26
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 26
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: 7
atom chem shift.comp id: ARG
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 59.9
atom chem shift.val err: 0.3

1,51847,27
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 27
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: 7
atom chem shift.comp id: ARG
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 31.1
atom chem shift.val err: 0.3

1,51847,28
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 28
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: 7
atom chem shift.comp id: ARG
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 120.1
atom chem shift.val err: 0.3

1,51847,29
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 29
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 8.39
atom chem shift.val err: 0.03

1,51847,30
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 30
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 4.14
atom chem shift.val err: 0.03

1,51847,31
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 31
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: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 174.1
atom chem shift.val err: 0.3

1,51847,32
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 32
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: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 62.7
atom chem shift.val err: 0.3

1,51847,33
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 33
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: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 39
atom chem shift.val err: 0.3

1,51847,34
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 34
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: 8
atom chem shift.comp id: ILE
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 114.4
atom chem shift.val err: 0.3

1,51847,35
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 35
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: 9
atom chem shift.comp id: GLY
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 7.17
atom chem shift.val err: 0.03

1,51847,36
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 36
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: 9
atom chem shift.comp id: GLY
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 175.4
atom chem shift.val err: 0.3

1,51847,37
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 37
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: 9
atom chem shift.comp id: GLY
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 44.3
atom chem shift.val err: 0.3

1,51847,38
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 38
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: 9
atom chem shift.comp id: GLY
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 104.2
atom chem shift.val err: 0.3

1,51847,39
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 39
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: 10
atom chem shift.comp id: GLY
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 8.21
atom chem shift.val err: 0.03

1,51847,40
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 40
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: 10
atom chem shift.comp id: GLY
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 173.5
atom chem shift.val err: 0.3

1,51847,41
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 41
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: 10
atom chem shift.comp id: GLY
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 44.5
atom chem shift.val err: 0.3

1,51847,42
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 42
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: 10
atom chem shift.comp id: GLY
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 110.6
atom chem shift.val err: 0.3

1,51847,43
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 43
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: 11
atom chem shift.comp id: GLU
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: 8.56
atom chem shift.val err: 0.03

1,51847,44
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 44
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 11
atom chem shift.comp id: GLU
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: 3.96
atom chem shift.val err: 0.03

1,51847,45
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 45
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: 11
atom chem shift.comp id: GLU
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: 178.1
atom chem shift.val err: 0.3

1,51847,46
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 46
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: 11
atom chem shift.comp id: GLU
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: 60.4
atom chem shift.val err: 0.3

1,51847,47
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 47
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: 11
atom chem shift.comp id: GLU
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: 30
atom chem shift.val err: 0.3

1,51847,48
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 48
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: 11
atom chem shift.comp id: GLU
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: 124.7
atom chem shift.val err: 0.3

1,51847,49
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 49
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: 12
atom chem shift.comp id: GLU
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: 9.08
atom chem shift.val err: 0.03

1,51847,50
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 50
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 12
atom chem shift.comp id: GLU
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: 4.08
atom chem shift.val err: 0.03

1,51847,51
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 51
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: 12
atom chem shift.comp id: GLU
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: 179.5
atom chem shift.val err: 0.3

1,51847,52
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 52
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: 12
atom chem shift.comp id: GLU
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: 59.5
atom chem shift.val err: 0.3

1,51847,53
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 53
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: 12
atom chem shift.comp id: GLU
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: 29.4
atom chem shift.val err: 0.3

1,51847,54
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 54
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: 12
atom chem shift.comp id: GLU
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: 116.4
atom chem shift.val err: 0.3

1,51847,55
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 55
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: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 6.88
atom chem shift.val err: 0.03

1,51847,56
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 56
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
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: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 4.33
atom chem shift.val err: 0.03

1,51847,57
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 57
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: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 178.9
atom chem shift.val err: 0.3

1,51847,58
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 58
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: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 54.7
atom chem shift.val err: 0.3

1,51847,59
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 59
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: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 19
atom chem shift.val err: 0.3

1,51847,60
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 60
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: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 121.5
atom chem shift.val err: 0.3

1,51847,61
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 61
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: 14
atom chem shift.comp id: VAL
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: 8.29
atom chem shift.val err: 0.03

1,51847,62
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 62
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 14
atom chem shift.comp id: VAL
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: 3.42
atom chem shift.val err: 0.03

1,51847,63
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 63
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: 14
atom chem shift.comp id: VAL
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: 177.7
atom chem shift.val err: 0.3

1,51847,64
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 64
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: 14
atom chem shift.comp id: VAL
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: 68.1
atom chem shift.val err: 0.3

1,51847,65
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 65
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: 14
atom chem shift.comp id: VAL
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: 31.3
atom chem shift.val err: 0.3

1,51847,66
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 66
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: 14
atom chem shift.comp id: VAL
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: 117.4
atom chem shift.val err: 0.3

1,51847,67
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 67
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: 15
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: 8.58
atom chem shift.val err: 0.03

1,51847,68
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 68
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 15
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: 3.95
atom chem shift.val err: 0.03

1,51847,69
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 69
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: 15
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: 177.7
atom chem shift.val err: 0.3

1,51847,70
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 70
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: 15
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: 60.6
atom chem shift.val err: 0.3

1,51847,71
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 71
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: 15
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: 29.8
atom chem shift.val err: 0.3

1,51847,72
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 72
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: 15
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: 118.8
atom chem shift.val err: 0.3

1,51847,73
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 73
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: 16
atom chem shift.comp id: ALA
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: 7.48
atom chem shift.val err: 0.03

1,51847,74
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 74
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 16
atom chem shift.comp id: ALA
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: 4.38
atom chem shift.val err: 0.03

1,51847,75
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ALA
atom chem shift.auth seq id: 16
atom chem shift.comp id: ALA
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: 181
atom chem shift.val err: 0.3

1,51847,76
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ALA
atom chem shift.auth seq id: 16
atom chem shift.comp id: ALA
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: 55.2
atom chem shift.val err: 0.3

1,51847,77
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ALA
atom chem shift.auth seq id: 16
atom chem shift.comp id: ALA
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: 18.5
atom chem shift.val err: 0.3

1,51847,78
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 78
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: 16
atom chem shift.comp id: ALA
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: 120.7
atom chem shift.val err: 0.3

1,51847,79
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 79
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: 17
atom chem shift.comp id: VAL
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: 8.87
atom chem shift.val err: 0.03

1,51847,80
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 80
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 17
atom chem shift.comp id: VAL
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: 3.72
atom chem shift.val err: 0.03

1,51847,81
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: VAL
atom chem shift.auth seq id: 17
atom chem shift.comp id: VAL
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: 177.4
atom chem shift.val err: 0.3

1,51847,82
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: VAL
atom chem shift.auth seq id: 17
atom chem shift.comp id: VAL
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: 65.4
atom chem shift.val err: 0.3

1,51847,83
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 83
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: 17
atom chem shift.comp id: VAL
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: 32
atom chem shift.val err: 0.3

1,51847,84
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: VAL
atom chem shift.auth seq id: 17
atom chem shift.comp id: VAL
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: 119.3
atom chem shift.val err: 0.3

1,51847,85
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: VAL
atom chem shift.auth seq id: 18
atom chem shift.comp id: VAL
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: 8.78
atom chem shift.val err: 0.03

1,51847,86
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 86
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 18
atom chem shift.comp id: VAL
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: 4.11
atom chem shift.val err: 0.03

1,51847,87
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 87
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: 18
atom chem shift.comp id: VAL
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: 177.6
atom chem shift.val err: 0.3

1,51847,88
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 88
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: 18
atom chem shift.comp id: VAL
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: 68.6
atom chem shift.val err: 0.3

1,51847,89
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 89
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: 18
atom chem shift.comp id: VAL
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: 31.9
atom chem shift.val err: 0.3

1,51847,90
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 90
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: 18
atom chem shift.comp id: VAL
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: 118.5
atom chem shift.val err: 0.3

1,51847,91
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 91
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: 19
atom chem shift.comp id: ASP
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 8.28
atom chem shift.val err: 0.03

1,51847,92
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 92
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 19
atom chem shift.comp id: ASP
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 4.87
atom chem shift.val err: 0.03

1,51847,93
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 93
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: 19
atom chem shift.comp id: ASP
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: 179.2
atom chem shift.val err: 0.3

1,51847,94
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 94
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: 19
atom chem shift.comp id: ASP
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: 58
atom chem shift.val err: 0.3

1,51847,95
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 95
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: ASP
atom chem shift.auth seq id: 19
atom chem shift.comp id: ASP
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: 41.4
atom chem shift.val err: 0.3

1,51847,96
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 96
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: 19
atom chem shift.comp id: ASP
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: 118.4
atom chem shift.val err: 0.3

1,51847,97
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 97
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: 20
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 8.21
atom chem shift.val err: 0.03

1,51847,98
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 98
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 20
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 4.67
atom chem shift.val err: 0.03

1,51847,99
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 99
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: 20
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 177.8
atom chem shift.val err: 0.3

1,51847,100
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 100
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: 20
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 58.1
atom chem shift.val err: 0.3

1,51847,101
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 101
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: ASP
atom chem shift.auth seq id: 20
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 42.1
atom chem shift.val err: 0.3

1,51847,102
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 102
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: 20
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 119.9
atom chem shift.val err: 0.3

1,51847,103
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 103
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: 21
atom chem shift.comp id: PHE
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: 9.47
atom chem shift.val err: 0.03

1,51847,104
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 104
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 21
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 4.63
atom chem shift.val err: 0.03

1,51847,105
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 105
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: 21
atom chem shift.comp id: PHE
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: 178.1
atom chem shift.val err: 0.3

1,51847,106
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 106
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: 21
atom chem shift.comp id: PHE
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: 61.1
atom chem shift.val err: 0.3

1,51847,107
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 107
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: 21
atom chem shift.comp id: PHE
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 40.3
atom chem shift.val err: 0.3

1,51847,108
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 108
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: 21
atom chem shift.comp id: PHE
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
atom chem shift.val err: 0.3

1,51847,109
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 109
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: 22
atom chem shift.comp id: TYR
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: 8.67
atom chem shift.val err: 0.03

1,51847,110
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 110
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: TYR
atom chem shift.auth seq id: 22
atom chem shift.comp id: TYR
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 4.59
atom chem shift.val err: 0.03

1,51847,111
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 111
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: 22
atom chem shift.comp id: TYR
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: 178.3
atom chem shift.val err: 0.3

1,51847,112
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 112
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: 22
atom chem shift.comp id: TYR
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: 64.9
atom chem shift.val err: 0.3

1,51847,113
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 113
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: 22
atom chem shift.comp id: TYR
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: 37.9
atom chem shift.val err: 0.3

1,51847,114
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 114
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: 22
atom chem shift.comp id: TYR
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: 114.7
atom chem shift.val err: 0.3

1,51847,115
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 115
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: 23
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: 7.85
atom chem shift.val err: 0.03

1,51847,116
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 116
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 23
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: 4.13
atom chem shift.val err: 0.03

1,51847,117
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 117
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: 23
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: 179.8
atom chem shift.val err: 0.3

1,51847,118
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 118
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
atom chem shift.auth seq id: 23
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: 60.4
atom chem shift.val err: 0.3

1,51847,119
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 119
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: 23
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: 32.1
atom chem shift.val err: 0.3

1,51847,120
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: LYS
atom chem shift.auth seq id: 23
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: 121
atom chem shift.val err: 0.3

1,51847,121
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ARG
atom chem shift.auth seq id: 24
atom chem shift.comp id: ARG
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: 7.69
atom chem shift.val err: 0.03

1,51847,122
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 122
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 24
atom chem shift.comp id: ARG
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: 3.79
atom chem shift.val err: 0.03

1,51847,123
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 123
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: 24
atom chem shift.comp id: ARG
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: 179
atom chem shift.val err: 0.3

1,51847,124
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 124
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: 24
atom chem shift.comp id: ARG
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: 59.1
atom chem shift.val err: 0.3

1,51847,125
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 125
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: 24
atom chem shift.comp id: ARG
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: 29.6
atom chem shift.val err: 0.3

1,51847,126
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ARG
atom chem shift.auth seq id: 24
atom chem shift.comp id: ARG
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: 119
atom chem shift.val err: 0.3

1,51847,127
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: VAL
atom chem shift.auth seq id: 25
atom chem shift.comp id: VAL
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: 8.28
atom chem shift.val err: 0.03

1,51847,128
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 128
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 25
atom chem shift.comp id: VAL
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: 3.06
atom chem shift.val err: 0.03

1,51847,129
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 129
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: 25
atom chem shift.comp id: VAL
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: 177.6
atom chem shift.val err: 0.3

1,51847,130
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 130
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: 25
atom chem shift.comp id: VAL
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: 66.8
atom chem shift.val err: 0.3

1,51847,131
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 131
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: 25
atom chem shift.comp id: VAL
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: 32.8
atom chem shift.val err: 0.3

1,51847,132
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 132
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: 25
atom chem shift.comp id: VAL
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: 119.6
atom chem shift.val err: 0.3

1,51847,133
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 133
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: 26
atom chem shift.comp id: LEU
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: 8.27
atom chem shift.val err: 0.03

1,51847,134
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 134
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 26
atom chem shift.comp id: LEU
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: 4.04
atom chem shift.val err: 0.03

1,51847,135
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: 26
atom chem shift.comp id: LEU
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: 177.7
atom chem shift.val err: 0.3

1,51847,136
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 136
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: 26
atom chem shift.comp id: LEU
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: 56.7
atom chem shift.val err: 0.3

1,51847,137
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 137
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: 26
atom chem shift.comp id: LEU
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: 40.2
atom chem shift.val err: 0.3

1,51847,138
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 138
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: 26
atom chem shift.comp id: LEU
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: 114.1
atom chem shift.val err: 0.3

1,51847,139
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 139
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: 27
atom chem shift.comp id: ALA
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: 7
atom chem shift.val err: 0.03

1,51847,140
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 140
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 27
atom chem shift.comp id: ALA
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: 4.43
atom chem shift.val err: 0.03

1,51847,141
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 141
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: 27
atom chem shift.comp id: ALA
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: 175.7
atom chem shift.val err: 0.3

1,51847,142
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 142
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: 27
atom chem shift.comp id: ALA
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: 51.7
atom chem shift.val err: 0.3

1,51847,143
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 143
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: 27
atom chem shift.comp id: ALA
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: 19
atom chem shift.val err: 0.3

1,51847,144
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 144
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: 27
atom chem shift.comp id: ALA
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: 119.4
atom chem shift.val err: 0.3

1,51847,145
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 145
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: 28
atom chem shift.comp id: ASP
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: 7.43
atom chem shift.val err: 0.03

1,51847,146
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 146
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 28
atom chem shift.comp id: ASP
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: 4.77
atom chem shift.val err: 0.03

1,51847,147
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 147
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: 28
atom chem shift.comp id: ASP
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: 176.6
atom chem shift.val err: 0.3

1,51847,148
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 148
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: 28
atom chem shift.comp id: ASP
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: 52.6
atom chem shift.val err: 0.3

1,51847,149
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 149
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: ASP
atom chem shift.auth seq id: 28
atom chem shift.comp id: ASP
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: 41.8
atom chem shift.val err: 0.3

1,51847,150
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 150
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: 28
atom chem shift.comp id: ASP
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: 121.3
atom chem shift.val err: 0.3

1,51847,151
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 151
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: 29
atom chem shift.comp id: ASP
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: 9.03
atom chem shift.val err: 0.03

1,51847,152
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 152
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 29
atom chem shift.comp id: ASP
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: 4.33
atom chem shift.val err: 0.03

1,51847,153
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ASP
atom chem shift.auth seq id: 29
atom chem shift.comp id: ASP
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: 177
atom chem shift.val err: 0.3

1,51847,154
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ASP
atom chem shift.auth seq id: 29
atom chem shift.comp id: ASP
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: 56.8
atom chem shift.val err: 0.3

1,51847,155
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ASP
atom chem shift.auth seq id: 29
atom chem shift.comp id: ASP
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: 40.3
atom chem shift.val err: 0.3

1,51847,156
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 156
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: 29
atom chem shift.comp id: ASP
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: 128.2
atom chem shift.val err: 0.3

1,51847,157
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 157
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: 30
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: 8.58
atom chem shift.val err: 0.03

1,51847,158
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 158
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 30
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: 4.19
atom chem shift.val err: 0.03

1,51847,159
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 159
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: 30
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: 177.2
atom chem shift.val err: 0.3

1,51847,160
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 160
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: 30
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: 57.5
atom chem shift.val err: 0.3

1,51847,161
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 161
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: 30
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: 31.3
atom chem shift.val err: 0.3

1,51847,162
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ARG
atom chem shift.auth seq id: 30
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: 116.1
atom chem shift.val err: 0.3

1,51847,163
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: LEU
atom chem shift.auth seq id: 31
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: 7.53
atom chem shift.val err: 0.03

1,51847,164
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 164
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: 4.58
atom chem shift.val err: 0.03

1,51847,165
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 165
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: 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: 176.6
atom chem shift.val err: 0.3

1,51847,166
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 166
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 54
atom chem shift.val err: 0.3

1,51847,167
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 167
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.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 31
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: 44.6
atom chem shift.val err: 0.3

1,51847,168
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 168
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: 31
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: 114.3
atom chem shift.val err: 0.3

1,51847,169
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 169
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: 32
atom chem shift.comp id: ALA
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: 8.65
atom chem shift.val err: 0.03

1,51847,170
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 170
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
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 32
atom chem shift.comp id: ALA
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: 57.1
atom chem shift.val err: 0.3

1,51847,171
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 171
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 32
atom chem shift.comp id: ALA
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: 16.6
atom chem shift.val err: 0.3

1,51847,172
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 172
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: 32
atom chem shift.comp id: ALA
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: 121.9
atom chem shift.val err: 0.3

1,51847,173
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 173
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 33
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: 4.26
atom chem shift.val err: 0.03

1,51847,174
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 174
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: 33
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: 179
atom chem shift.val err: 0.3

1,51847,175
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 175
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
atom chem shift.auth seq id: 33
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: 66.2
atom chem shift.val err: 0.3

1,51847,176
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 176
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atom chem shift.assembly atom id: 0
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 33
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: 31
atom chem shift.val err: 0.3

1,51847,177
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: PHE
atom chem shift.auth seq id: 34
atom chem shift.comp id: PHE
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: 7.51
atom chem shift.val err: 0.03

1,51847,178
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 178
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 34
atom chem shift.comp id: PHE
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: 3.76
atom chem shift.val err: 0.03

1,51847,179
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 179
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: 34
atom chem shift.comp id: PHE
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: 175.7
atom chem shift.val err: 0.3

1,51847,180
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 180
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: 34
atom chem shift.comp id: PHE
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: 61.1
atom chem shift.val err: 0.3

1,51847,181
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 181
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: 34
atom chem shift.comp id: PHE
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: 37.8
atom chem shift.val err: 0.3

1,51847,182
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 182
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: 34
atom chem shift.comp id: PHE
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: 112.1
atom chem shift.val err: 0.3

1,51847,183
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 183
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: 35
atom chem shift.comp id: PHE
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: 7.56
atom chem shift.val err: 0.03

1,51847,184
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 184
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 35
atom chem shift.comp id: PHE
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: 4.38
atom chem shift.val err: 0.03

1,51847,185
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 185
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: 35
atom chem shift.comp id: PHE
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: 176.6
atom chem shift.val err: 0.3

1,51847,186
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 186
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: 35
atom chem shift.comp id: PHE
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: 58.1
atom chem shift.val err: 0.3

1,51847,187
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 187
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: 35
atom chem shift.comp id: PHE
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: 40
atom chem shift.val err: 0.3

1,51847,188
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 188
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: 35
atom chem shift.comp id: PHE
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: 113.9
atom chem shift.val err: 0.3

1,51847,189
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 189
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: 36
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 7
atom chem shift.val err: 0.03

1,51847,190
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 190
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 36
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 3.99
atom chem shift.val err: 0.03

1,51847,191
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 191
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: 36
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 176.9
atom chem shift.val err: 0.3

1,51847,192
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 192
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: 36
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 59.2
atom chem shift.val err: 0.3

1,51847,193
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 193
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: 36
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 29.6
atom chem shift.val err: 0.3

1,51847,194
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 194
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: 36
atom chem shift.comp id: GLU
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 121.9
atom chem shift.val err: 0.3

1,51847,195
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 195
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: 37
atom chem shift.comp id: GLY
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: 8.6
atom chem shift.val err: 0.03

1,51847,196
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 196
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: 37
atom chem shift.comp id: GLY
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: 174.3
atom chem shift.val err: 0.3

1,51847,197
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 197
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: 37
atom chem shift.comp id: GLY
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: 44.8
atom chem shift.val err: 0.3

1,51847,198
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 198
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: 37
atom chem shift.comp id: GLY
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: 110
atom chem shift.val err: 0.3

1,51847,199
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 199
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: 38
atom chem shift.comp id: THR
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: 7.59
atom chem shift.val err: 0.03

1,51847,200
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 200
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.auth atom id: HA
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 38
atom chem shift.comp id: THR
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: 3.81
atom chem shift.val err: 0.03

1,51847,201
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 201
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: 38
atom chem shift.comp id: THR
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: 173.5
atom chem shift.val err: 0.3

1,51847,202
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 202
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: 38
atom chem shift.comp id: THR
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: 63.8
atom chem shift.val err: 0.3

1,51847,203
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 203
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: 38
atom chem shift.comp id: THR
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: 70.2
atom chem shift.val err: 0.3

1,51847,204
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 204
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: 38
atom chem shift.comp id: THR
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: 121.1
atom chem shift.val err: 0.3

1,51847,205
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 205
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: 39
atom chem shift.comp id: ASP
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: 8.21
atom chem shift.val err: 0.03

1,51847,206
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 206
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASP
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atom chem shift.comp id: ASP
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: 4.45
atom chem shift.val err: 0.03

1,51847,207
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 207
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
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atom chem shift.comp id: ASP
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: 176.3
atom chem shift.val err: 0.3

1,51847,208
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 208
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: ASP
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atom chem shift.comp id: ASP
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: 53.2
atom chem shift.val err: 0.3

1,51847,209
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 209
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASP
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atom chem shift.comp id: ASP
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: 40
atom chem shift.val err: 0.3

1,51847,210
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 210
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: 39
atom chem shift.comp id: ASP
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: 125.3
atom chem shift.val err: 0.3

1,51847,211
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 211
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: MET
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atom chem shift.comp id: MET
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 8.77
atom chem shift.val err: 0.03

1,51847,212
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 212
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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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: 39
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atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 4.6
atom chem shift.val err: 0.03

1,51847,213
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 213
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: 40
atom chem shift.comp id: MET
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: 179.2
atom chem shift.val err: 0.3

1,51847,214
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 214
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: 40
atom chem shift.comp id: MET
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: 54.9
atom chem shift.val err: 0.3

1,51847,215
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 215
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: 40
atom chem shift.comp id: MET
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: 28.5
atom chem shift.val err: 0.3

1,51847,216
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 216
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: 40
atom chem shift.comp id: MET
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: 127.4
atom chem shift.val err: 0.3

1,51847,217
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 217
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: 41
atom chem shift.comp id: GLU
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: 8.13
atom chem shift.val err: 0.03

1,51847,218
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 218
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 41
atom chem shift.comp id: GLU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 4.1
atom chem shift.val err: 0.03

1,51847,219
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 219
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: 41
atom chem shift.comp id: GLU
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: 179.5
atom chem shift.val err: 0.3

1,51847,220
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 220
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: 41
atom chem shift.comp id: GLU
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: 59.6
atom chem shift.val err: 0.3

1,51847,221
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 221
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: 41
atom chem shift.comp id: GLU
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: 29
atom chem shift.val err: 0.3

1,51847,222
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 222
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: 41
atom chem shift.comp id: GLU
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: 122.1
atom chem shift.val err: 0.3

1,51847,223
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 223
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: 42
atom chem shift.comp id: ARG
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 7.37
atom chem shift.val err: 0.03

1,51847,224
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 224
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 42
atom chem shift.comp id: ARG
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 3.77
atom chem shift.val err: 0.03

1,51847,225
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 225
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: 42
atom chem shift.comp id: ARG
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 177.8
atom chem shift.val err: 0.3

1,51847,226
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 226
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: 42
atom chem shift.comp id: ARG
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 58.1
atom chem shift.val err: 0.3

1,51847,227
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 227
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: 42
atom chem shift.comp id: ARG
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 29.7
atom chem shift.val err: 0.3

1,51847,228
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 228
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: 42
atom chem shift.comp id: ARG
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 122.2
atom chem shift.val err: 0.3

1,51847,229
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 229
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: 43
atom chem shift.comp id: GLN
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 8.29
atom chem shift.val err: 0.03

1,51847,230
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 230
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 43
atom chem shift.comp id: GLN
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 3.32
atom chem shift.val err: 0.03

1,51847,231
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 231
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: 43
atom chem shift.comp id: GLN
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 178.4
atom chem shift.val err: 0.3

1,51847,232
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 232
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
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 58.5
atom chem shift.val err: 0.3

1,51847,233
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 233
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: 43
atom chem shift.comp id: GLN
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 28.2
atom chem shift.val err: 0.3

1,51847,234
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 234
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: 43
atom chem shift.comp id: GLN
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 119.7
atom chem shift.val err: 0.3

1,51847,235
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 235
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
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atom chem shift.auth comp id: ARG
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 8.37
atom chem shift.val err: 0.03

1,51847,236
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 236
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HA
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atom chem shift.auth comp id: ARG
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 4.41
atom chem shift.val err: 0.03

1,51847,237
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 237
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 comp id: ARG
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 178.6
atom chem shift.val err: 0.3

1,51847,238
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 238
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
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 60.9
atom chem shift.val err: 0.3

1,51847,239
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 239
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
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 44
atom chem shift.comp id: ARG
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 30.8
atom chem shift.val err: 0.3

1,51847,240
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 240
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: 44
atom chem shift.comp id: ARG
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 117.2
atom chem shift.val err: 0.3

1,51847,241
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 241
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
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atom chem shift.auth comp id: ALA
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 7.46
atom chem shift.val err: 0.03

1,51847,242
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 242
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 4.23
atom chem shift.val err: 0.03

1,51847,243
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 243
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: ALA
atom chem shift.auth seq id: 45
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 181.7
atom chem shift.val err: 0.3

1,51847,244
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 244
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 13
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 55.6
atom chem shift.val err: 0.3

1,51847,245
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 245
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: 45
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 17.8
atom chem shift.val err: 0.3

1,51847,246
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 246
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: 45
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 121.9
atom chem shift.val err: 0.3

1,51847,247
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 247
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: H
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atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 46
atom chem shift.comp id: HIS
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 8.68
atom chem shift.val err: 0.03

1,51847,248
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 248
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: HIS
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 4.83
atom chem shift.val err: 0.03

1,51847,249
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 249
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: HIS
atom chem shift.auth seq id: 46
atom chem shift.comp id: HIS
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 178
atom chem shift.val err: 0.3

1,51847,250
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 250
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: HIS
atom chem shift.auth seq id: 46
atom chem shift.comp id: HIS
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 58.3
atom chem shift.val err: 0.3

1,51847,251
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 251
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: HIS
atom chem shift.auth seq id: 46
atom chem shift.comp id: HIS
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 30.7
atom chem shift.val err: 0.3

1,51847,252
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 252
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: HIS
atom chem shift.auth seq id: 46
atom chem shift.comp id: HIS
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 119.3
atom chem shift.val err: 0.3

1,51847,253
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 253
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: 47
atom chem shift.comp id: GLN
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 9.24
atom chem shift.val err: 0.03

1,51847,254
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 254
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 47
atom chem shift.comp id: GLN
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 4.94
atom chem shift.val err: 0.03

1,51847,255
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 255
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: 47
atom chem shift.comp id: GLN
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 178.3
atom chem shift.val err: 0.3

1,51847,256
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 256
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: 47
atom chem shift.comp id: GLN
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 58.1
atom chem shift.val err: 0.3

1,51847,257
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 257
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: 47
atom chem shift.comp id: GLN
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 32.1
atom chem shift.val err: 0.3

1,51847,258
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 258
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: 47
atom chem shift.comp id: GLN
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 120.9
atom chem shift.val err: 0.3

1,51847,259
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 259
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: 48
atom chem shift.comp id: LYS
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 8.95
atom chem shift.val err: 0.03

1,51847,260
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 260
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 48
atom chem shift.comp id: LYS
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 4.1
atom chem shift.val err: 0.03

1,51847,261
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 261
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: 48
atom chem shift.comp id: LYS
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 179.8
atom chem shift.val err: 0.3

1,51847,262
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 262
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
atom chem shift.auth seq id: 48
atom chem shift.comp id: LYS
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 60.6
atom chem shift.val err: 0.3

1,51847,263
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 263
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: 48
atom chem shift.comp id: LYS
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 32.4
atom chem shift.val err: 0.3

1,51847,264
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 264
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: 48
atom chem shift.comp id: LYS
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 119.3
atom chem shift.val err: 0.3

1,51847,265
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 265
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
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 49
atom chem shift.comp id: ALA
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 8.16
atom chem shift.val err: 0.03

1,51847,266
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 266
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 4.21
atom chem shift.val err: 0.03

1,51847,267
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ALA
atom chem shift.auth seq id: 49
atom chem shift.comp id: ALA
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 179.7
atom chem shift.val err: 0.3

1,51847,268
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ALA
atom chem shift.auth seq id: 49
atom chem shift.comp id: ALA
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 55.4
atom chem shift.val err: 0.3

1,51847,269
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 269
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: 49
atom chem shift.comp id: ALA
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 18.7
atom chem shift.val err: 0.3

1,51847,270
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 270
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: 49
atom chem shift.comp id: ALA
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 123.8
atom chem shift.val err: 0.3

1,51847,271
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 271
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
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atom chem shift.auth comp id: PHE
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atom chem shift.comp id: PHE
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 9.48
atom chem shift.val err: 0.03

1,51847,272
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 272
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: PHE
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 3.19
atom chem shift.val err: 0.03

1,51847,273
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 273
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: PHE
atom chem shift.auth seq id: 50
atom chem shift.comp id: PHE
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 177.8
atom chem shift.val err: 0.3

1,51847,274
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 274
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.comp id: PHE
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 62.9
atom chem shift.val err: 0.3

1,51847,275
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 275
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
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 50
atom chem shift.comp id: PHE
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 38.9
atom chem shift.val err: 0.3

1,51847,276
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 276
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: 50
atom chem shift.comp id: PHE
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 122.7
atom chem shift.val err: 0.3

1,51847,277
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 277
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
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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: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 9.36
atom chem shift.val err: 0.03

1,51847,278
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 278
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 3.85
atom chem shift.val err: 0.03

1,51847,279
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 279
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: 51
atom chem shift.comp id: LEU
atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 178.7
atom chem shift.val err: 0.3

1,51847,280
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 280
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: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 57.6
atom chem shift.val err: 0.3

1,51847,281
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 281
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.auth comp id: LEU
atom chem shift.auth seq id: 51
atom chem shift.comp id: LEU
atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 42
atom chem shift.val err: 0.3

1,51847,282
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 282
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: 51
atom chem shift.comp id: LEU
atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 118.7
atom chem shift.val err: 0.3

1,51847,283
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 283
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: THR
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atom chem shift.comp id: THR
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 8.01
atom chem shift.val err: 0.03

1,51847,284
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 284
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atom chem shift.auth comp id: THR
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atom chem shift.comp id: THR
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 3.52
atom chem shift.val err: 0.03

1,51847,285
type: atom chem shift
of datablock: info:bmrb/51847
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atom chem shift.entry id: 51847
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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: 52
atom chem shift.comp id: THR
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 175.1
atom chem shift.val err: 0.3

1,51847,286
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 286
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: THR
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atom chem shift.comp id: THR
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 68.5
atom chem shift.val err: 0.3

1,51847,287
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 287
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: 52
atom chem shift.comp id: THR
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 114.5
atom chem shift.val err: 0.3

1,51847,288
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 288
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 53
atom chem shift.comp id: ALA
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 7.37
atom chem shift.val err: 0.03

1,51847,289
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 289
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 3.78
atom chem shift.val err: 0.03

1,51847,290
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 290
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 comp id: ALA
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 181.2
atom chem shift.val err: 0.3

1,51847,291
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 291
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 54.5
atom chem shift.val err: 0.3

1,51847,292
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 292
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
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 53
atom chem shift.comp id: ALA
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 18.3
atom chem shift.val err: 0.3

1,51847,293
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 293
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 atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 53
atom chem shift.comp id: ALA
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 52
atom chem shift.val: 121.7
atom chem shift.val err: 0.3

1,51847,294
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 294
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 54
atom chem shift.comp id: ALA
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 8.46
atom chem shift.val err: 0.03

1,51847,295
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 295
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 3.83
atom chem shift.val err: 0.03

1,51847,296
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 296
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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: ALA
atom chem shift.auth seq id: 54
atom chem shift.comp id: ALA
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 179
atom chem shift.val err: 0.3

1,51847,297
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 297
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: ALA
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 53
atom chem shift.val: 54.3
atom chem shift.val err: 0.3

1,51847,298
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 298
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: ALA
atom chem shift.auth seq id: 54
atom chem shift.comp id: ALA
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 53
atom chem shift.val: 16.7
atom chem shift.val err: 0.3

1,51847,299
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 54
atom chem shift.comp id: ALA
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 53
atom chem shift.val: 122.8
atom chem shift.val err: 0.3

1,51847,300
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 300
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: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 54
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 54
atom chem shift.val: 7.85
atom chem shift.val err: 0.03

1,51847,301
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LEU
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atom chem shift.seq id: 54
atom chem shift.val: 4.29
atom chem shift.val err: 0.03

1,51847,302
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 302
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
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 54
atom chem shift.entity assembly id: 1
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atom chem shift.val: 175.7
atom chem shift.val err: 0.3

1,51847,303
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 54
atom chem shift.entity assembly id: 1
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atom chem shift.val: 54.7
atom chem shift.val err: 0.3

1,51847,304
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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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: 54
atom chem shift.entity assembly id: 1
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atom chem shift.val: 40.6
atom chem shift.val err: 0.3

1,51847,305
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 305
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.comp id: LEU
atom chem shift.comp index id: 54
atom chem shift.entity assembly id: 1
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atom chem shift.val: 114.5
atom chem shift.val err: 0.3

1,51847,306
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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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: 7.71
atom chem shift.val err: 0.03

1,51847,307
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 13
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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: 55
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 55
atom chem shift.val: 175.6
atom chem shift.val err: 0.3

1,51847,308
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLY
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atom chem shift.val: 45.9
atom chem shift.val err: 0.3

1,51847,309
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 309
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: 55
atom chem shift.entity assembly id: 1
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atom chem shift.val: 106.7
atom chem shift.val err: 0.3

1,51847,310
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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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: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 56
atom chem shift.val: 8.28
atom chem shift.val err: 0.03

1,51847,311
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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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: 56
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 56
atom chem shift.val: 44
atom chem shift.val err: 0.3

1,51847,312
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 312
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
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
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atom chem shift.val: 108.8
atom chem shift.val err: 0.3

1,51847,313
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 313
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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: 57
atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.28
atom chem shift.val err: 0.03

1,51847,314
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 314
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 1
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atom chem shift.val: 175.4
atom chem shift.val err: 0.3

1,51847,315
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 315
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 1
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atom chem shift.val: 63.5
atom chem shift.val err: 0.3

1,51847,316
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 316
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 57
atom chem shift.entity assembly id: 1
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atom chem shift.val: 31.5
atom chem shift.val err: 0.3

1,51847,317
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 317
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 59
atom chem shift.comp id: VAL
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: 8.01
atom chem shift.val err: 0.03

1,51847,318
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 318
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 59
atom chem shift.comp id: VAL
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: 3.95
atom chem shift.val err: 0.03

1,51847,319
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 319
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: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 59
atom chem shift.comp id: VAL
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: 175.1
atom chem shift.val err: 0.3

1,51847,320
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
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atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 59
atom chem shift.comp id: VAL
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: 61.9
atom chem shift.val err: 0.3

1,51847,321
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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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: 59
atom chem shift.comp id: VAL
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: 32.2
atom chem shift.val err: 0.3

1,51847,322
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: VAL
atom chem shift.auth seq id: 59
atom chem shift.comp id: VAL
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: 122.4
atom chem shift.val err: 0.3

1,51847,323
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 60
atom chem shift.comp id: GLU
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: 8.39
atom chem shift.val err: 0.03

1,51847,324
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 324
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 60
atom chem shift.comp id: GLU
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: 4.44
atom chem shift.val err: 0.03

1,51847,325
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 325
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: 60
atom chem shift.comp id: GLU
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: 175
atom chem shift.val err: 0.3

1,51847,326
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 326
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: 60
atom chem shift.comp id: GLU
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: 54.6
atom chem shift.val err: 0.3

1,51847,327
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 327
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: 60
atom chem shift.comp id: GLU
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: 30.4
atom chem shift.val err: 0.3

1,51847,328
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 328
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: 60
atom chem shift.comp id: GLU
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: 125.6
atom chem shift.val err: 0.3

1,51847,329
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 329
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: 61
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: 7.65
atom chem shift.val err: 0.03

1,51847,330
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 330
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: 61
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: 57.2
atom chem shift.val err: 0.3

1,51847,331
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 331
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: 61
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: 38.6
atom chem shift.val err: 0.3

1,51847,332
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 332
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: 61
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: 121.9
atom chem shift.val err: 0.3

1,51847,333
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 333
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: 63
atom chem shift.comp id: GLY
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: 172
atom chem shift.val err: 0.3

1,51847,334
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 334
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: 63
atom chem shift.comp id: GLY
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: 43.7
atom chem shift.val err: 0.3

1,51847,335
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: 64
atom chem shift.comp id: ARG
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: 8.59
atom chem shift.val err: 0.03

1,51847,336
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 336
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 64
atom chem shift.comp id: ARG
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: 3.93
atom chem shift.val err: 0.03

1,51847,337
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 337
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: 64
atom chem shift.comp id: ARG
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: 177.1
atom chem shift.val err: 0.3

1,51847,338
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 338
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: 64
atom chem shift.comp id: ARG
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: 55.6
atom chem shift.val err: 0.3

1,51847,339
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 339
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: 64
atom chem shift.comp id: ARG
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: 32.2
atom chem shift.val err: 0.3

1,51847,340
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 340
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: 64
atom chem shift.comp id: ARG
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: 118.3
atom chem shift.val err: 0.3

1,51847,341
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 341
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: 65
atom chem shift.comp id: ASP
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: 8.68
atom chem shift.val err: 0.03

1,51847,342
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 342
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 65
atom chem shift.comp id: ASP
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: 4.47
atom chem shift.val err: 0.03

1,51847,343
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 343
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: 65
atom chem shift.comp id: ASP
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: 175.4
atom chem shift.val err: 0.3

1,51847,344
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 344
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: 65
atom chem shift.comp id: ASP
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: 53.7
atom chem shift.val err: 0.3

1,51847,345
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 345
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: ASP
atom chem shift.auth seq id: 65
atom chem shift.comp id: ASP
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: 40.9
atom chem shift.val err: 0.3

1,51847,346
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 346
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: 65
atom chem shift.comp id: ASP
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: 119.8
atom chem shift.val err: 0.3

1,51847,347
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 347
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: 66
atom chem shift.comp id: MET
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: 8.96
atom chem shift.val err: 0.03

1,51847,348
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 348
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 66
atom chem shift.comp id: MET
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: 4.96
atom chem shift.val err: 0.03

1,51847,349
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: MET
atom chem shift.auth seq id: 66
atom chem shift.comp id: MET
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: 180.7
atom chem shift.val err: 0.3

1,51847,350
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: MET
atom chem shift.auth seq id: 66
atom chem shift.comp id: MET
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: 58.1
atom chem shift.val err: 0.3

1,51847,351
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 351
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: 66
atom chem shift.comp id: MET
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: 36.7
atom chem shift.val err: 0.3

1,51847,352
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 352
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: 66
atom chem shift.comp id: MET
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: 115.4
atom chem shift.val err: 0.3

1,51847,353
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 353
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: 67
atom chem shift.comp id: ARG
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: 8.98
atom chem shift.val err: 0.03

1,51847,354
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 354
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 67
atom chem shift.comp id: ARG
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: 5.56
atom chem shift.val err: 0.03

1,51847,355
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ARG
atom chem shift.auth seq id: 67
atom chem shift.comp id: ARG
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: 179.7
atom chem shift.val err: 0.3

1,51847,356
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ARG
atom chem shift.auth seq id: 67
atom chem shift.comp id: ARG
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: 59.3
atom chem shift.val err: 0.3

1,51847,357
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ARG
atom chem shift.auth seq id: 67
atom chem shift.comp id: ARG
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: 30.7
atom chem shift.val err: 0.3

1,51847,358
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ARG
atom chem shift.auth seq id: 67
atom chem shift.comp id: ARG
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: 121.3
atom chem shift.val err: 0.3

1,51847,359
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 359
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: 68
atom chem shift.comp id: GLU
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: 8.94
atom chem shift.val err: 0.03

1,51847,360
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 360
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
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: 4.52
atom chem shift.val err: 0.03

1,51847,361
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 361
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: 68
atom chem shift.comp id: GLU
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: 180.1
atom chem shift.val err: 0.3

1,51847,362
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 362
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: 68
atom chem shift.comp id: GLU
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: 59.7
atom chem shift.val err: 0.3

1,51847,363
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 363
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: 68
atom chem shift.comp id: GLU
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: 30
atom chem shift.val err: 0.3

1,51847,364
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 364
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: 68
atom chem shift.comp id: GLU
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: 121.7
atom chem shift.val err: 0.3

1,51847,365
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 365
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: 69
atom chem shift.comp id: ALA
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: 9.65
atom chem shift.val err: 0.03

1,51847,366
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 366
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 69
atom chem shift.comp id: ALA
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: 3.61
atom chem shift.val err: 0.03

1,51847,367
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ALA
atom chem shift.auth seq id: 69
atom chem shift.comp id: ALA
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: 178.4
atom chem shift.val err: 0.3

1,51847,368
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 368
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: 69
atom chem shift.comp id: ALA
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: 54.7
atom chem shift.val err: 0.3

1,51847,369
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 369
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: 69
atom chem shift.comp id: ALA
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: 17.8
atom chem shift.val err: 0.3

1,51847,370
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 370
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: 69
atom chem shift.comp id: ALA
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: 118.3
atom chem shift.val err: 0.3

1,51847,371
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 371
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: HIS
atom chem shift.auth seq id: 70
atom chem shift.comp id: HIS
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: 9.33
atom chem shift.val err: 0.03

1,51847,372
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 372
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 70
atom chem shift.comp id: HIS
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: 8.37
atom chem shift.val err: 0.03

1,51847,373
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 373
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: HIS
atom chem shift.auth seq id: 70
atom chem shift.comp id: HIS
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: 176.4
atom chem shift.val err: 0.3

1,51847,374
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 374
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: HIS
atom chem shift.auth seq id: 70
atom chem shift.comp id: HIS
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: 70.7
atom chem shift.val err: 0.3

1,51847,375
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 375
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: HIS
atom chem shift.auth seq id: 70
atom chem shift.comp id: HIS
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: 26.5
atom chem shift.val err: 0.3

1,51847,376
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 376
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: HIS
atom chem shift.auth seq id: 70
atom chem shift.comp id: HIS
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: 110.9
atom chem shift.val err: 0.3

1,51847,377
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 377
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: 71
atom chem shift.comp id: ALA
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: 8.76
atom chem shift.val err: 0.03

1,51847,378
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 378
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 71
atom chem shift.comp id: ALA
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: 5.15
atom chem shift.val err: 0.03

1,51847,379
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 379
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: 71
atom chem shift.comp id: ALA
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: 179.9
atom chem shift.val err: 0.3

1,51847,380
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 380
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: 71
atom chem shift.comp id: ALA
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: 55.1
atom chem shift.val err: 0.3

1,51847,381
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 381
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: 71
atom chem shift.comp id: ALA
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: 18.9
atom chem shift.val err: 0.3

1,51847,382
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 382
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: 71
atom chem shift.comp id: ALA
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: 128.7
atom chem shift.val err: 0.3

1,51847,383
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 383
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: 72
atom chem shift.comp id: GLY
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: 9.6
atom chem shift.val err: 0.03

1,51847,384
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 384
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: 72
atom chem shift.comp id: GLY
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: 175.6
atom chem shift.val err: 0.3

1,51847,385
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 385
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: 72
atom chem shift.comp id: GLY
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: 46.2
atom chem shift.val err: 0.3

1,51847,386
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 386
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: 72
atom chem shift.comp id: GLY
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: 109.9
atom chem shift.val err: 0.3

1,51847,387
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 387
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
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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: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 8.17
atom chem shift.val err: 0.03

1,51847,388
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 388
atom chem shift.ambiguity code: 1
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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: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 4.73
atom chem shift.val err: 0.03

1,51847,389
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 389
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: LEU
atom chem shift.auth seq id: 73
atom chem shift.comp id: LEU
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: 178.2
atom chem shift.val err: 0.3

1,51847,390
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 390
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 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: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 56.2
atom chem shift.val err: 0.3

1,51847,391
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 391
atom chem shift.ambiguity code: 1
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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: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 45
atom chem shift.val err: 0.3

1,51847,392
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 392
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: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 118.1
atom chem shift.val err: 0.3

1,51847,393
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 393
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
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: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 9.12
atom chem shift.val err: 0.03

1,51847,394
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 394
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: 74
atom chem shift.comp id: GLY
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: 175
atom chem shift.val err: 0.3

1,51847,395
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 395
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: 74
atom chem shift.comp id: GLY
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: 46.5
atom chem shift.val err: 0.3

1,51847,396
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 396
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: 74
atom chem shift.comp id: GLY
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: 108.2
atom chem shift.val err: 0.3

1,51847,397
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 397
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: 75
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 7.57
atom chem shift.val err: 0.03

1,51847,398
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 398
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 75
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 4.21
atom chem shift.val err: 0.03

1,51847,399
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 399
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: 75
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 176.4
atom chem shift.val err: 0.3

1,51847,400
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 400
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: 75
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 60.8
atom chem shift.val err: 0.3

1,51847,401
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 401
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: 75
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 40.2
atom chem shift.val err: 0.3

1,51847,402
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 402
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: 75
atom chem shift.comp id: ILE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 115.9
atom chem shift.val err: 0.3

1,51847,403
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 403
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: 76
atom chem shift.comp id: THR
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: 10.62
atom chem shift.val err: 0.03

1,51847,404
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 404
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: 76
atom chem shift.comp id: THR
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: 175.7
atom chem shift.val err: 0.3

1,51847,405
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 405
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: 76
atom chem shift.comp id: THR
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: 59.9
atom chem shift.val err: 0.3

1,51847,406
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 406
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: 76
atom chem shift.comp id: THR
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: 72.4
atom chem shift.val err: 0.3

1,51847,407
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 407
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: 76
atom chem shift.comp id: THR
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: 119.4
atom chem shift.val err: 0.3

1,51847,408
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 408
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: 77
atom chem shift.comp id: ASP
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 8.63
atom chem shift.val err: 0.03

1,51847,409
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 409
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 77
atom chem shift.comp id: ASP
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: 3.9
atom chem shift.val err: 0.03

1,51847,410
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 410
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: 77
atom chem shift.comp id: ASP
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 176.6
atom chem shift.val err: 0.3

1,51847,411
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 411
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: 77
atom chem shift.comp id: ASP
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: 58.6
atom chem shift.val err: 0.3

1,51847,412
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 412
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: ASP
atom chem shift.auth seq id: 77
atom chem shift.comp id: ASP
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: 41.5
atom chem shift.val err: 0.3

1,51847,413
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 413
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: 77
atom chem shift.comp id: ASP
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: 119.5
atom chem shift.val err: 0.3

1,51847,414
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 414
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: 78
atom chem shift.comp id: GLU
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 8.06
atom chem shift.val err: 0.03

1,51847,415
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 415
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 78
atom chem shift.comp id: GLU
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 3.83
atom chem shift.val err: 0.03

1,51847,416
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 78
atom chem shift.comp id: GLU
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 179.3
atom chem shift.val err: 0.3

1,51847,417
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 417
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: 78
atom chem shift.comp id: GLU
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 59.2
atom chem shift.val err: 0.3

1,51847,418
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 418
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: 78
atom chem shift.comp id: GLU
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 28.9
atom chem shift.val err: 0.3

1,51847,419
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 78
atom chem shift.comp id: GLU
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 116.9
atom chem shift.val err: 0.3

1,51847,420
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 420
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: HIS
atom chem shift.auth seq id: 79
atom chem shift.comp id: HIS
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: 6.93
atom chem shift.val err: 0.03

1,51847,421
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 421
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 79
atom chem shift.comp id: HIS
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: 3.63
atom chem shift.val err: 0.03

1,51847,422
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 422
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: HIS
atom chem shift.auth seq id: 79
atom chem shift.comp id: HIS
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: 176.3
atom chem shift.val err: 0.3

1,51847,423
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 423
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: HIS
atom chem shift.auth seq id: 79
atom chem shift.comp id: HIS
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: 60.1
atom chem shift.val err: 0.3

1,51847,424
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 424
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: HIS
atom chem shift.auth seq id: 79
atom chem shift.comp id: HIS
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: 31.3
atom chem shift.val err: 0.3

1,51847,425
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 425
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: HIS
atom chem shift.auth seq id: 79
atom chem shift.comp id: HIS
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: 118.7
atom chem shift.val err: 0.3

1,51847,426
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 426
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: 80
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: 7.45
atom chem shift.val err: 0.03

1,51847,427
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 427
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 80
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: 2.25
atom chem shift.val err: 0.03

1,51847,428
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 428
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: 80
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: 175.8
atom chem shift.val err: 0.3

1,51847,429
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 429
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: 80
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: 61.5
atom chem shift.val err: 0.3

1,51847,430
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 430
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: 80
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: 39.2
atom chem shift.val err: 0.3

1,51847,431
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 431
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: 80
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: 119.1
atom chem shift.val err: 0.3

1,51847,432
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 432
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: 81
atom chem shift.comp id: ASP
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: 8.52
atom chem shift.val err: 0.03

1,51847,433
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 433
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 81
atom chem shift.comp id: ASP
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: 4.06
atom chem shift.val err: 0.03

1,51847,434
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 434
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: 81
atom chem shift.comp id: ASP
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: 178.3
atom chem shift.val err: 0.3

1,51847,435
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 435
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: 81
atom chem shift.comp id: ASP
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: 57.1
atom chem shift.val err: 0.3

1,51847,436
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 436
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: ASP
atom chem shift.auth seq id: 81
atom chem shift.comp id: ASP
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: 39.3
atom chem shift.val err: 0.3

1,51847,437
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 437
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: 81
atom chem shift.comp id: ASP
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: 118.3
atom chem shift.val err: 0.3

1,51847,438
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 438
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: 82
atom chem shift.comp id: ALA
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: 7.26
atom chem shift.val err: 0.03

1,51847,439
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 439
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 82
atom chem shift.comp id: ALA
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: 3.84
atom chem shift.val err: 0.03

1,51847,440
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 440
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: 82
atom chem shift.comp id: ALA
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: 179
atom chem shift.val err: 0.3

1,51847,441
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 441
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: 82
atom chem shift.comp id: ALA
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: 54.6
atom chem shift.val err: 0.3

1,51847,442
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 442
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: 82
atom chem shift.comp id: ALA
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: 17.4
atom chem shift.val err: 0.3

1,51847,443
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 443
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: 82
atom chem shift.comp id: ALA
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: 121.9
atom chem shift.val err: 0.3

1,51847,444
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 444
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: 83
atom chem shift.comp id: VAL
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: 7.2
atom chem shift.val err: 0.03

1,51847,445
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 445
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 83
atom chem shift.comp id: VAL
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: 3.18
atom chem shift.val err: 0.03

1,51847,446
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 446
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: 83
atom chem shift.comp id: VAL
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: 177
atom chem shift.val err: 0.3

1,51847,447
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 447
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: 83
atom chem shift.comp id: VAL
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: 67.8
atom chem shift.val err: 0.3

1,51847,448
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 448
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: 83
atom chem shift.comp id: VAL
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: 30.5
atom chem shift.val err: 0.3

1,51847,449
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 449
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: 83
atom chem shift.comp id: VAL
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: 118.7
atom chem shift.val err: 0.3

1,51847,450
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 450
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: 84
atom chem shift.comp id: ALA
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 7.73
atom chem shift.val err: 0.03

1,51847,451
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 451
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 84
atom chem shift.comp id: ALA
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: 3.47
atom chem shift.val err: 0.03

1,51847,452
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 452
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: 84
atom chem shift.comp id: ALA
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: 179
atom chem shift.val err: 0.3

1,51847,453
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 453
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: 84
atom chem shift.comp id: ALA
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: 55.5
atom chem shift.val err: 0.3

1,51847,454
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 454
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: 84
atom chem shift.comp id: ALA
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: 16.7
atom chem shift.val err: 0.3

1,51847,455
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 455
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: 84
atom chem shift.comp id: ALA
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: 121.8
atom chem shift.val err: 0.3

1,51847,456
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 456
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: 85
atom chem shift.comp id: GLU
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: 7.78
atom chem shift.val err: 0.03

1,51847,457
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 457
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 85
atom chem shift.comp id: GLU
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: 3.84
atom chem shift.val err: 0.03

1,51847,458
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 458
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: 85
atom chem shift.comp id: GLU
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: 180.2
atom chem shift.val err: 0.3

1,51847,459
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 459
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: 85
atom chem shift.comp id: GLU
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: 59.3
atom chem shift.val err: 0.3

1,51847,460
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 460
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: 85
atom chem shift.comp id: GLU
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: 29.2
atom chem shift.val err: 0.3

1,51847,461
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 461
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: 85
atom chem shift.comp id: GLU
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: 117.4
atom chem shift.val err: 0.3

1,51847,462
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 462
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: HIS
atom chem shift.auth seq id: 86
atom chem shift.comp id: HIS
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: 7.96
atom chem shift.val err: 0.03

1,51847,463
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 463
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 86
atom chem shift.comp id: HIS
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: 4.82
atom chem shift.val err: 0.03

1,51847,464
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 464
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: HIS
atom chem shift.auth seq id: 86
atom chem shift.comp id: HIS
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: 179.2
atom chem shift.val err: 0.3

1,51847,465
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 465
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: HIS
atom chem shift.auth seq id: 86
atom chem shift.comp id: HIS
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: 59.5
atom chem shift.val err: 0.3

1,51847,466
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 466
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: HIS
atom chem shift.auth seq id: 86
atom chem shift.comp id: HIS
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: 31.2
atom chem shift.val err: 0.3

1,51847,467
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 467
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: HIS
atom chem shift.auth seq id: 86
atom chem shift.comp id: HIS
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: 119.5
atom chem shift.val err: 0.3

1,51847,468
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 468
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: 87
atom chem shift.comp id: LEU
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: 8.59
atom chem shift.val err: 0.03

1,51847,469
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 469
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 87
atom chem shift.comp id: LEU
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: 4.31
atom chem shift.val err: 0.03

1,51847,470
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 470
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: 87
atom chem shift.comp id: LEU
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: 178.4
atom chem shift.val err: 0.3

1,51847,471
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 471
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: 87
atom chem shift.comp id: LEU
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: 58.7
atom chem shift.val err: 0.3

1,51847,472
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 472
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: 87
atom chem shift.comp id: LEU
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: 41.1
atom chem shift.val err: 0.3

1,51847,473
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 473
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: 87
atom chem shift.comp id: LEU
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: 122.9
atom chem shift.val err: 0.3

1,51847,474
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 474
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: 88
atom chem shift.comp id: VAL
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: 8.41
atom chem shift.val err: 0.03

1,51847,475
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 475
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 88
atom chem shift.comp id: VAL
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: 3.46
atom chem shift.val err: 0.03

1,51847,476
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 476
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: 88
atom chem shift.comp id: VAL
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: 177.4
atom chem shift.val err: 0.3

1,51847,477
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: VAL
atom chem shift.auth seq id: 88
atom chem shift.comp id: VAL
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: 67.9
atom chem shift.val err: 0.3

1,51847,478
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 478
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: 88
atom chem shift.comp id: VAL
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: 31.6
atom chem shift.val err: 0.3

1,51847,479
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 479
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: 88
atom chem shift.comp id: VAL
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: 119.6
atom chem shift.val err: 0.3

1,51847,480
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 480
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: 89
atom chem shift.comp id: ALA
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: 8.28
atom chem shift.val err: 0.03

1,51847,481
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 481
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 89
atom chem shift.comp id: ALA
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: 4.1
atom chem shift.val err: 0.03

1,51847,482
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ALA
atom chem shift.auth seq id: 89
atom chem shift.comp id: ALA
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: 180.9
atom chem shift.val err: 0.3

1,51847,483
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ALA
atom chem shift.auth seq id: 89
atom chem shift.comp id: ALA
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: 55.6
atom chem shift.val err: 0.3

1,51847,484
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 484
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: 89
atom chem shift.comp id: ALA
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: 18.5
atom chem shift.val err: 0.3

1,51847,485
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 485
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: 89
atom chem shift.comp id: ALA
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: 121.2
atom chem shift.val err: 0.3

1,51847,486
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 486
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: 90
atom chem shift.comp id: THR
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: 8.44
atom chem shift.val err: 0.03

1,51847,487
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 487
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: 90
atom chem shift.comp id: THR
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: 176.8
atom chem shift.val err: 0.3

1,51847,488
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 488
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: 90
atom chem shift.comp id: THR
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: 67.6
atom chem shift.val err: 0.3

1,51847,489
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 489
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: 90
atom chem shift.comp id: THR
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: 69.2
atom chem shift.val err: 0.3

1,51847,490
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 490
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: 90
atom chem shift.comp id: THR
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: 117
atom chem shift.val err: 0.3

1,51847,491
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: LEU
atom chem shift.auth seq id: 91
atom chem shift.comp id: LEU
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: 8.24
atom chem shift.val err: 0.03

1,51847,492
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 492
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 91
atom chem shift.comp id: LEU
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: 3.96
atom chem shift.val err: 0.03

1,51847,493
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 493
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: 91
atom chem shift.comp id: LEU
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 178.5
atom chem shift.val err: 0.3

1,51847,494
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 494
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: 91
atom chem shift.comp id: LEU
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: 58.4
atom chem shift.val err: 0.3

1,51847,495
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 495
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: 91
atom chem shift.comp id: LEU
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: 41.6
atom chem shift.val err: 0.3

1,51847,496
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 496
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: 91
atom chem shift.comp id: LEU
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: 120.6
atom chem shift.val err: 0.3

1,51847,497
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 497
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: 92
atom chem shift.comp id: ARG
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: 8.87
atom chem shift.val err: 0.03

1,51847,498
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 498
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 92
atom chem shift.comp id: ARG
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 4.05
atom chem shift.val err: 0.03

1,51847,499
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 499
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: 92
atom chem shift.comp id: ARG
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: 181.1
atom chem shift.val err: 0.3

1,51847,500
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 500
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: 92
atom chem shift.comp id: ARG
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: 60.5
atom chem shift.val err: 0.3

1,51847,501
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 501
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: 92
atom chem shift.comp id: ARG
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 29.9
atom chem shift.val err: 0.3

1,51847,502
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 502
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: 92
atom chem shift.comp id: ARG
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 119
atom chem shift.val err: 0.3

1,51847,503
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 503
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: 93
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 8.41
atom chem shift.val err: 0.03

1,51847,504
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 504
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 93
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 4.13
atom chem shift.val err: 0.03

1,51847,505
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 93
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 178.2
atom chem shift.val err: 0.3

1,51847,506
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 93
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 59.1
atom chem shift.val err: 0.3

1,51847,507
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 507
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: 93
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 28.7
atom chem shift.val err: 0.3

1,51847,508
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 508
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: 93
atom chem shift.comp id: GLU
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 122.5
atom chem shift.val err: 0.3

1,51847,509
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 509
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: 94
atom chem shift.comp id: LEU
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 7.66
atom chem shift.val err: 0.03

1,51847,510
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 510
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 94
atom chem shift.comp id: LEU
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 4.35
atom chem shift.val err: 0.03

1,51847,511
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 511
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: 94
atom chem shift.comp id: LEU
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 177.4
atom chem shift.val err: 0.3

1,51847,512
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 512
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: 94
atom chem shift.comp id: LEU
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 55.3
atom chem shift.val err: 0.3

1,51847,513
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 513
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: 94
atom chem shift.comp id: LEU
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 42.4
atom chem shift.val err: 0.3

1,51847,514
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 514
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: 94
atom chem shift.comp id: LEU
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 118.1
atom chem shift.val err: 0.3

1,51847,515
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 515
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: 95
atom chem shift.comp id: GLY
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 7.87
atom chem shift.val err: 0.03

1,51847,516
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 516
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: 95
atom chem shift.comp id: GLY
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 174.9
atom chem shift.val err: 0.3

1,51847,517
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 517
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: 95
atom chem shift.comp id: GLY
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 45.5
atom chem shift.val err: 0.3

1,51847,518
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 518
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: 95
atom chem shift.comp id: GLY
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 107.3
atom chem shift.val err: 0.3

1,51847,519
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 519
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: 96
atom chem shift.comp id: VAL
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 7.86
atom chem shift.val err: 0.03

1,51847,520
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 520
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: 96
atom chem shift.comp id: VAL
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 60.8
atom chem shift.val err: 0.3

1,51847,521
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 521
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: 96
atom chem shift.comp id: VAL
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 32
atom chem shift.val err: 0.3

1,51847,522
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 522
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: 96
atom chem shift.comp id: VAL
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 124.1
atom chem shift.val err: 0.3

1,51847,523
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 523
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 97
atom chem shift.comp id: PRO
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 4.44
atom chem shift.val err: 0.03

1,51847,524
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 524
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: 97
atom chem shift.comp id: PRO
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: 178.1
atom chem shift.val err: 0.3

1,51847,525
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 525
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: 97
atom chem shift.comp id: PRO
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: 63
atom chem shift.val err: 0.3

1,51847,526
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 526
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: PRO
atom chem shift.auth seq id: 97
atom chem shift.comp id: PRO
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: 33
atom chem shift.val err: 0.3

1,51847,527
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 98
atom chem shift.comp id: GLU
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: 8.86
atom chem shift.val err: 0.03

1,51847,528
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 528
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 98
atom chem shift.comp id: GLU
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 3.77
atom chem shift.val err: 0.03

1,51847,529
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 529
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: 98
atom chem shift.comp id: GLU
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: 177.5
atom chem shift.val err: 0.3

1,51847,530
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 530
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: 98
atom chem shift.comp id: GLU
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: 59.6
atom chem shift.val err: 0.3

1,51847,531
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 531
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: 98
atom chem shift.comp id: GLU
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: 29.5
atom chem shift.val err: 0.3

1,51847,532
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 532
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: 98
atom chem shift.comp id: GLU
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: 123.5
atom chem shift.val err: 0.3

1,51847,533
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 533
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: 99
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 9.39
atom chem shift.val err: 0.03

1,51847,534
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 534
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 99
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 4.22
atom chem shift.val err: 0.03

1,51847,535
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 99
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 179.2
atom chem shift.val err: 0.3

1,51847,536
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 99
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 59.4
atom chem shift.val err: 0.3

1,51847,537
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 99
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 28.4
atom chem shift.val err: 0.3

1,51847,538
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 99
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 116.1
atom chem shift.val err: 0.3

1,51847,539
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: 100
atom chem shift.comp id: LEU
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 7.22
atom chem shift.val err: 0.03

1,51847,540
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 540
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 100
atom chem shift.comp id: LEU
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 4.28
atom chem shift.val err: 0.03

1,51847,541
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 541
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: 100
atom chem shift.comp id: LEU
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 179
atom chem shift.val err: 0.3

1,51847,542
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 542
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: 100
atom chem shift.comp id: LEU
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 57.1
atom chem shift.val err: 0.3

1,51847,543
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 543
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: 100
atom chem shift.comp id: LEU
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 41.3
atom chem shift.val err: 0.3

1,51847,544
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 544
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: 100
atom chem shift.comp id: LEU
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 119.1
atom chem shift.val err: 0.3

1,51847,545
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 545
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: 101
atom chem shift.comp id: ILE
atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 7.96
atom chem shift.val err: 0.03

1,51847,546
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 546
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 101
atom chem shift.comp id: ILE
atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 3.3
atom chem shift.val err: 0.03

1,51847,547
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ILE
atom chem shift.auth seq id: 101
atom chem shift.comp id: ILE
atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 178
atom chem shift.val err: 0.3

1,51847,548
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ILE
atom chem shift.auth seq id: 101
atom chem shift.comp id: ILE
atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 67.3
atom chem shift.val err: 0.3

1,51847,549
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ILE
atom chem shift.auth seq id: 101
atom chem shift.comp id: ILE
atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 36.6
atom chem shift.val err: 0.3

1,51847,550
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ILE
atom chem shift.auth seq id: 101
atom chem shift.comp id: ILE
atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 121.9
atom chem shift.val err: 0.3

1,51847,551
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 551
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: 102
atom chem shift.comp id: ASP
atom chem shift.comp index id: 101
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 101
atom chem shift.val: 8.31
atom chem shift.val err: 0.03

1,51847,552
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 552
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 102
atom chem shift.comp id: ASP
atom chem shift.comp index id: 101
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 101
atom chem shift.val: 4.29
atom chem shift.val err: 0.03

1,51847,553
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 553
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: 102
atom chem shift.comp id: ASP
atom chem shift.comp index id: 101
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 101
atom chem shift.val: 179.3
atom chem shift.val err: 0.3

1,51847,554
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 554
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: 102
atom chem shift.comp id: ASP
atom chem shift.comp index id: 101
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 101
atom chem shift.val: 57.7
atom chem shift.val err: 0.3

1,51847,555
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 555
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: ASP
atom chem shift.auth seq id: 102
atom chem shift.comp id: ASP
atom chem shift.comp index id: 101
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 101
atom chem shift.val: 40.1
atom chem shift.val err: 0.3

1,51847,556
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 556
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: 102
atom chem shift.comp id: ASP
atom chem shift.comp index id: 101
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 101
atom chem shift.val: 118.1
atom chem shift.val err: 0.3

1,51847,557
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 557
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: 103
atom chem shift.comp id: GLU
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: 7.2
atom chem shift.val err: 0.03

1,51847,558
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 558
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 103
atom chem shift.comp id: GLU
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: 4.1
atom chem shift.val err: 0.03

1,51847,559
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 103
atom chem shift.comp id: GLU
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: 179.7
atom chem shift.val err: 0.3

1,51847,560
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 103
atom chem shift.comp id: GLU
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: 60.1
atom chem shift.val err: 0.3

1,51847,561
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: GLU
atom chem shift.auth seq id: 103
atom chem shift.comp id: GLU
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: 30.6
atom chem shift.val err: 0.3

1,51847,562
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 562
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: 103
atom chem shift.comp id: GLU
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: 119.4
atom chem shift.val err: 0.3

1,51847,563
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 563
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: 104
atom chem shift.comp id: VAL
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: 8.3
atom chem shift.val err: 0.03

1,51847,564
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 564
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 104
atom chem shift.comp id: VAL
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: 3.46
atom chem shift.val err: 0.03

1,51847,565
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 565
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: 104
atom chem shift.comp id: VAL
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: 178.1
atom chem shift.val err: 0.3

1,51847,566
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 566
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: 104
atom chem shift.comp id: VAL
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: 66.7
atom chem shift.val err: 0.3

1,51847,567
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 567
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: 104
atom chem shift.comp id: VAL
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: 31.2
atom chem shift.val err: 0.3

1,51847,568
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: VAL
atom chem shift.auth seq id: 104
atom chem shift.comp id: VAL
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: 120.9
atom chem shift.val err: 0.3

1,51847,569
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 569
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: 105
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: 9.07
atom chem shift.val err: 0.03

1,51847,570
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 570
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 105
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: 3.85
atom chem shift.val err: 0.03

1,51847,571
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 571
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: 105
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: 178.9
atom chem shift.val err: 0.3

1,51847,572
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 572
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: 105
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: 56.3
atom chem shift.val err: 0.3

1,51847,573
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 573
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: 105
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: 39.8
atom chem shift.val err: 0.3

1,51847,574
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 574
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: 105
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: 121.3
atom chem shift.val err: 0.3

1,51847,575
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 575
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: 106
atom chem shift.comp id: ALA
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: 7.73
atom chem shift.val err: 0.03

1,51847,576
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 576
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 106
atom chem shift.comp id: ALA
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: 4.17
atom chem shift.val err: 0.03

1,51847,577
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 577
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: 106
atom chem shift.comp id: ALA
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: 180.9
atom chem shift.val err: 0.3

1,51847,578
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 578
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: 106
atom chem shift.comp id: ALA
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: 55
atom chem shift.val err: 0.3

1,51847,579
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 579
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: 106
atom chem shift.comp id: ALA
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: 17.6
atom chem shift.val err: 0.3

1,51847,580
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 580
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: 106
atom chem shift.comp id: ALA
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: 122.3
atom chem shift.val err: 0.3

1,51847,581
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 581
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: 107
atom chem shift.comp id: ILE
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: 7.25
atom chem shift.val err: 0.03

1,51847,582
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 582
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 107
atom chem shift.comp id: ILE
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: 3.72
atom chem shift.val err: 0.03

1,51847,583
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 583
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: 107
atom chem shift.comp id: ILE
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: 179.5
atom chem shift.val err: 0.3

1,51847,584
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 584
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: 107
atom chem shift.comp id: ILE
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 64.6
atom chem shift.val err: 0.3

1,51847,585
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 585
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: 107
atom chem shift.comp id: ILE
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: 38
atom chem shift.val err: 0.3

1,51847,586
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 586
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: 107
atom chem shift.comp id: ILE
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: 120.3
atom chem shift.val err: 0.3

1,51847,587
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 587
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: 108
atom chem shift.comp id: VAL
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 8.08
atom chem shift.val err: 0.03

1,51847,588
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 588
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 108
atom chem shift.comp id: VAL
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 3.34
atom chem shift.val err: 0.03

1,51847,589
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: VAL
atom chem shift.auth seq id: 108
atom chem shift.comp id: VAL
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 177.7
atom chem shift.val err: 0.3

1,51847,590
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: VAL
atom chem shift.auth seq id: 108
atom chem shift.comp id: VAL
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 67.1
atom chem shift.val err: 0.3

1,51847,591
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 591
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: 108
atom chem shift.comp id: VAL
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 31.5
atom chem shift.val err: 0.3

1,51847,592
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 592
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: 108
atom chem shift.comp id: VAL
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 121
atom chem shift.val err: 0.3

1,51847,593
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 593
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: 109
atom chem shift.comp id: ALA
atom chem shift.comp index id: 108
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 108
atom chem shift.val: 8.84
atom chem shift.val err: 0.03

1,51847,594
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 594
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 109
atom chem shift.comp id: ALA
atom chem shift.comp index id: 108
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 108
atom chem shift.val: 3.98
atom chem shift.val err: 0.03

1,51847,595
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 595
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: 109
atom chem shift.comp id: ALA
atom chem shift.comp index id: 108
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 108
atom chem shift.val: 180.9
atom chem shift.val err: 0.3

1,51847,596
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 596
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: 109
atom chem shift.comp id: ALA
atom chem shift.comp index id: 108
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 108
atom chem shift.val: 55.1
atom chem shift.val err: 0.3

1,51847,597
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 597
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: 109
atom chem shift.comp id: ALA
atom chem shift.comp index id: 108
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 108
atom chem shift.val: 18
atom chem shift.val err: 0.3

1,51847,598
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ALA
atom chem shift.auth seq id: 109
atom chem shift.comp id: ALA
atom chem shift.comp index id: 108
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 108
atom chem shift.val: 120.4
atom chem shift.val err: 0.3

1,51847,599
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: SER
atom chem shift.auth seq id: 110
atom chem shift.comp id: SER
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 7.45
atom chem shift.val err: 0.03

1,51847,600
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: SER
atom chem shift.auth seq id: 110
atom chem shift.comp id: SER
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 174.7
atom chem shift.val err: 0.3

1,51847,601
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: SER
atom chem shift.auth seq id: 110
atom chem shift.comp id: SER
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 60.6
atom chem shift.val err: 0.3

1,51847,602
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 602
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: 110
atom chem shift.comp id: SER
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 63.2
atom chem shift.val err: 0.3

1,51847,603
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 603
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: 110
atom chem shift.comp id: SER
atom chem shift.comp index id: 109
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 109
atom chem shift.val: 113.3
atom chem shift.val err: 0.3

1,51847,604
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 604
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: 111
atom chem shift.comp id: LEU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 7.58
atom chem shift.val err: 0.03

1,51847,605
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 605
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 111
atom chem shift.comp id: LEU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 4.48
atom chem shift.val err: 0.03

1,51847,606
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: LEU
atom chem shift.auth seq id: 111
atom chem shift.comp id: LEU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 176.3
atom chem shift.val err: 0.3

1,51847,607
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: LEU
atom chem shift.auth seq id: 111
atom chem shift.comp id: LEU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 54.7
atom chem shift.val err: 0.3

1,51847,608
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 608
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: 111
atom chem shift.comp id: LEU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 42.6
atom chem shift.val err: 0.3

1,51847,609
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 609
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: 111
atom chem shift.comp id: LEU
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 110
atom chem shift.val: 121.4
atom chem shift.val err: 0.3

1,51847,610
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 610
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: 112
atom chem shift.comp id: ARG
atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 6.86
atom chem shift.val err: 0.03

1,51847,611
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 611
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 112
atom chem shift.comp id: ARG
atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 2.55
atom chem shift.val err: 0.03

1,51847,612
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 612
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: 112
atom chem shift.comp id: ARG
atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 176.3
atom chem shift.val err: 0.3

1,51847,613
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 613
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: 112
atom chem shift.comp id: ARG
atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 60.5
atom chem shift.val err: 0.3

1,51847,614
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 614
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: 112
atom chem shift.comp id: ARG
atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 30.8
atom chem shift.val err: 0.3

1,51847,615
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 615
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: 112
atom chem shift.comp id: ARG
atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 120.2
atom chem shift.val err: 0.3

1,51847,616
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 616
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: 113
atom chem shift.comp id: ASP
atom chem shift.comp index id: 112
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 8.26
atom chem shift.val err: 0.03

1,51847,617
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 617
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 113
atom chem shift.comp id: ASP
atom chem shift.comp index id: 112
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 4.09
atom chem shift.val err: 0.03

1,51847,618
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 618
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: 113
atom chem shift.comp id: ASP
atom chem shift.comp index id: 112
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 177.7
atom chem shift.val err: 0.3

1,51847,619
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 619
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: 113
atom chem shift.comp id: ASP
atom chem shift.comp index id: 112
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 57.8
atom chem shift.val err: 0.3

1,51847,620
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 620
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: ASP
atom chem shift.auth seq id: 113
atom chem shift.comp id: ASP
atom chem shift.comp index id: 112
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 39.6
atom chem shift.val err: 0.3

1,51847,621
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 621
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: 113
atom chem shift.comp id: ASP
atom chem shift.comp index id: 112
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 116
atom chem shift.val err: 0.3

1,51847,622
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 622
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: 114
atom chem shift.comp id: ASP
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 7.82
atom chem shift.val err: 0.03

1,51847,623
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 623
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 114
atom chem shift.comp id: ASP
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 4.75
atom chem shift.val err: 0.03

1,51847,624
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ASP
atom chem shift.auth seq id: 114
atom chem shift.comp id: ASP
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 178.6
atom chem shift.val err: 0.3

1,51847,625
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: ASP
atom chem shift.auth seq id: 114
atom chem shift.comp id: ASP
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 57.4
atom chem shift.val err: 0.3

1,51847,626
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 626
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: ASP
atom chem shift.auth seq id: 114
atom chem shift.comp id: ASP
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 41.5
atom chem shift.val err: 0.3

1,51847,627
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 627
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: 114
atom chem shift.comp id: ASP
atom chem shift.comp index id: 113
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 118.8
atom chem shift.val err: 0.3

1,51847,628
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 628
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: 115
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 8.31
atom chem shift.val err: 0.03

1,51847,629
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 629
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 115
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 5.23
atom chem shift.val err: 0.03

1,51847,630
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 630
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: 115
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 177.4
atom chem shift.val err: 0.3

1,51847,631
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 631
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: 115
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 67.9
atom chem shift.val err: 0.3

1,51847,632
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 632
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: 115
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 31.1
atom chem shift.val err: 0.3

1,51847,633
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 633
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: 115
atom chem shift.comp id: VAL
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 120.2
atom chem shift.val err: 0.3

1,51847,634
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 634
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: 116
atom chem shift.comp id: LEU
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 8.2
atom chem shift.val err: 0.03

1,51847,635
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 635
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 116
atom chem shift.comp id: LEU
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 4.32
atom chem shift.val err: 0.03

1,51847,636
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: LEU
atom chem shift.auth seq id: 116
atom chem shift.comp id: LEU
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 176.2
atom chem shift.val err: 0.3

1,51847,637
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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: LEU
atom chem shift.auth seq id: 116
atom chem shift.comp id: LEU
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 55
atom chem shift.val err: 0.3

1,51847,638
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 638
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: 116
atom chem shift.comp id: LEU
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 40.1
atom chem shift.val err: 0.3

1,51847,639
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 639
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: 116
atom chem shift.comp id: LEU
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 113.6
atom chem shift.val err: 0.3

1,51847,640
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 640
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: ASN
atom chem shift.auth seq id: 117
atom chem shift.comp id: ASN
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 8.64
atom chem shift.val err: 0.03

1,51847,641
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 641
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 117
atom chem shift.comp id: ASN
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 4.36
atom chem shift.val err: 0.03

1,51847,642
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 642
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: 117
atom chem shift.comp id: ASN
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 174.4
atom chem shift.val err: 0.3

1,51847,643
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 643
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: 117
atom chem shift.comp id: ASN
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 54.9
atom chem shift.val err: 0.3

1,51847,644
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 644
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: 117
atom chem shift.comp id: ASN
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 37.8
atom chem shift.val err: 0.3

1,51847,645
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 645
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: 117
atom chem shift.comp id: ASN
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 119.2
atom chem shift.val err: 0.3

1,51847,646
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 646
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: 118
atom chem shift.comp id: ARG
atom chem shift.comp index id: 117
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 117
atom chem shift.val: 8.88
atom chem shift.val err: 0.03

1,51847,647
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
atom chem shift.id: 647
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 117
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 117
atom chem shift.val: 4.56
atom chem shift.val err: 0.03

1,51847,648
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 117
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 117
atom chem shift.val: 176.4
atom chem shift.val err: 0.3

1,51847,649
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 117
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 117
atom chem shift.val: 56.1
atom chem shift.val err: 0.3

1,51847,650
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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atom chem shift.comp index id: 117
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 117
atom chem shift.val: 31.8
atom chem shift.val err: 0.3

1,51847,651
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 117
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 117
atom chem shift.val: 117.1
atom chem shift.val err: 0.3

1,51847,652
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51847
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.71
atom chem shift.val err: 0.03

1,51847,653
type: atom chem shift
of datablock: info:bmrb/51847
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: 4.78
atom chem shift.val err: 0.03

1,51847,654
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 118
atom chem shift.val: 174
atom chem shift.val err: 0.3

1,51847,655
type: atom chem shift
of datablock: info:bmrb/51847
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: 53.4
atom chem shift.val err: 0.3

1,51847,656
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 39.1
atom chem shift.val err: 0.3

1,51847,657
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 120.6
atom chem shift.val err: 0.3

1,51847,658
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
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1,51847,659
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.3

1,51847,660
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
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1,51847,661
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.3

2,51847,662
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val: 7.58
atom chem shift.val err: 0.05

2,51847,663
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val err: 0.05

2,51847,664
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val: 17.68
atom chem shift.val err: 0.05

2,51847,665
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val err: 0.05

2,51847,666
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val err: 0.05

2,51847,667
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 2
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atom chem shift.val err: 0.05

2,51847,668
type: atom chem shift
of datablock: info:bmrb/51847
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2,51847,669
type: atom chem shift
of datablock: info:bmrb/51847
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2,51847,670
type: atom chem shift
of datablock: info:bmrb/51847
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2,51847,671
type: atom chem shift
of datablock: info:bmrb/51847
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2,51847,672
type: atom chem shift
of datablock: info:bmrb/51847
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2,51847,673
type: atom chem shift
of datablock: info:bmrb/51847
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2,51847,674
type: atom chem shift
of datablock: info:bmrb/51847
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2,51847,675
type: atom chem shift
of datablock: info:bmrb/51847
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2,51847,676
type: atom chem shift
of datablock: info:bmrb/51847
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2,51847,677
type: atom chem shift
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2,51847,678
type: atom chem shift
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2,51847,679
type: atom chem shift
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2,51847,680
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2,51847,681
type: atom chem shift
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2,51847,682
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atom chem shift.val err: 0.05

2,51847,683
type: atom chem shift
of datablock: info:bmrb/51847
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 51847
atom chem shift.id: 683
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMDB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMD#
atom chem shift.auth comp id: HEM
atom chem shift.auth seq id: 1
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 14.93
atom chem shift.val err: 0.05

1,51847,1
type: bond
of datablock: info:bmrb/51847
bond.assembly id: 1
bond.entry id: 51847
bond.id: 1
bond.atom id 1: NE2
bond.atom id 2: FE
bond.comp id 1: HIS
bond.comp id 2: HEM
bond.comp index id 1: 69
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 69
bond.seq id 2: 1
bond.type: metal coordination
bond.value order: sing

1,51847,2
type: bond
of datablock: info:bmrb/51847
bond.assembly id: 1
bond.entry id: 51847
bond.id: 2
bond.atom id 1: FE
bond.atom id 2: C
bond.comp id 1: HEM
bond.comp id 2: CYN
bond.comp index id 1: 1
bond.comp index id 2: 1
bond.entity assembly id 1: 2
bond.entity assembly id 2: 3
bond.entity id 1: 2
bond.entity id 2: 3
bond.seq id 1: 1
bond.seq id 2: 1
bond.type: metal coordination
bond.value order: sing

51847,HEM
type: chem comp
of datablock: info:bmrb/51847
reference to entry: entry
chem comp.entry id: 51847
chem comp.id: HEM
chem comp.ambiguous flag: yes
chem comp.aromatic: no
chem comp.bmrb code: HEM
chem comp.formal charge: 0
chem comp.formula: C34 H32 Fe N4 O4
chem comp.formula weight: 616.487
chem comp.ideal coordinates details: Corina
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
chem comp.initial date: 2020-07-09Z
chem comp.model coordinates db code: 3IA3
chem comp.model coordinates missing flag: no
chem comp.modified date: 2020-07-09Z
chem comp.mon nstd flag: no
chem comp.name: PROTOPORPHYRIN IX CONTAINING FE
chem comp.number atoms all: 75
chem comp.number atoms nh: 43
chem comp.pdb code: HEM
chem comp.processing site: RCSB
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.replaces: MHM
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_HEM
chem comp.synonyms: HEME
chem comp.three letter code: HEM
chem comp.type: NON-POLYMER

info:pdb-ccd/HEM

pdb-ccd:HEM

info:pdb.ligand/HEM

pdb.ligand:HEM

51847,CYN
type: chem comp
of datablock: info:bmrb/51847
reference to entry: entry
chem comp.entry id: 51847
chem comp.id: CYN
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.bmrb code: CYN
chem comp.formal charge: 1-
chem comp.formula: C N
chem comp.formula weight: 26.017
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/CN/c1-2/q-1
chem comp.initial date: 2020-07-09Z
chem comp.model coordinates db code: 1B0B
chem comp.model coordinates missing flag: no
chem comp.modified date: 2020-07-09Z
chem comp.mon nstd flag: no
chem comp.name: CYANIDE ION
chem comp.number atoms all: 2
chem comp.number atoms nh: 2
chem comp.pdb code: CYN
chem comp.processing site: RCSB
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.replaces: CN
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_CYN
chem comp.three letter code: CYN
chem comp.type: NON-POLYMER

info:pdb-ccd/CYN

pdb-ccd:CYN

info:pdb.ligand/CYN

pdb.ligand:CYN

CHA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CHA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CHA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CHA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.748
chem comp atom.model cartn x ideal: -2.161
chem comp atom.model cartn y: -19.531
chem comp atom.model cartn y ideal: -0.125
chem comp atom.model cartn z: 39.896
chem comp atom.model cartn z ideal: 0.490
chem comp atom.pdb atom id: CHA
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CHB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CHB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CHB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.258
chem comp atom.model cartn x ideal: 1.458
chem comp atom.model cartn y: -17.744
chem comp atom.model cartn y ideal: -3.419
chem comp atom.model cartn z: 35.477
chem comp atom.model cartn z ideal: 0.306
chem comp atom.pdb atom id: CHB
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHC,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CHC
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CHC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CHC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.703
chem comp atom.model cartn x ideal: 4.701
chem comp atom.model cartn y: -21.900
chem comp atom.model cartn y ideal: 0.169
chem comp atom.model cartn z: 33.637
chem comp atom.model cartn z ideal: -0.069
chem comp atom.pdb atom id: CHC
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHD,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CHD
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CHD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CHD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.149
chem comp atom.model cartn x ideal: 1.075
chem comp atom.model cartn y: -23.677
chem comp atom.model cartn y ideal: 3.460
chem comp atom.model cartn z: 38.059
chem comp atom.model cartn z ideal: 0.018
chem comp atom.pdb atom id: CHD
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C1A,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C1A
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C1A
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C1A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.031
chem comp atom.model cartn x ideal: -1.436
chem comp atom.model cartn y: -18.673
chem comp atom.model cartn y ideal: -1.305
chem comp atom.model cartn z: 38.872
chem comp atom.model cartn z ideal: 0.380
chem comp atom.pdb atom id: C1A
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2A,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C2A
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C2A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.578
chem comp atom.model cartn x ideal: -2.015
chem comp atom.model cartn y: -17.325
chem comp atom.model cartn y ideal: -2.587
chem comp atom.model cartn z: 39.013
chem comp atom.model cartn z ideal: 0.320
chem comp atom.pdb atom id: C2A
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3A,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C3A
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C3A
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C3A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.705
chem comp atom.model cartn x ideal: -1.009
chem comp atom.model cartn y: -16.820
chem comp atom.model cartn y ideal: -3.500
chem comp atom.model cartn z: 37.785
chem comp atom.model cartn z ideal: 0.270
chem comp atom.pdb atom id: C3A
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4A,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C4A
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C4A
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C4A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.256
chem comp atom.model cartn x ideal: 0.216
chem comp atom.model cartn y: -17.863
chem comp atom.model cartn y ideal: -2.803
chem comp atom.model cartn z: 36.862
chem comp atom.model cartn z ideal: 0.298
chem comp atom.pdb atom id: C4A
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CMA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CMA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CMA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.227
chem comp atom.model cartn x ideal: -1.175
chem comp atom.model cartn y: -15.469
chem comp atom.model cartn y ideal: -4.996
chem comp atom.model cartn z: 37.393
chem comp atom.model cartn z ideal: 0.197
chem comp atom.pdb atom id: CMA
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CAA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CAA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.945
chem comp atom.model cartn x ideal: -3.490
chem comp atom.model cartn y: -16.670
chem comp atom.model cartn y ideal: -2.893
chem comp atom.model cartn z: 40.296
chem comp atom.model cartn z ideal: 0.314
chem comp atom.pdb atom id: CAA
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CBA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CBA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.391
chem comp atom.model cartn x ideal: -3.998
chem comp atom.model cartn y: -17.138
chem comp atom.model cartn y ideal: -2.926
chem comp atom.model cartn z: 40.581
chem comp atom.model cartn z ideal: -1.129
chem comp atom.pdb atom id: CBA
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CGA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CGA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CGA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CGA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.095
chem comp atom.model cartn x ideal: -5.473
chem comp atom.model cartn y: -16.663
chem comp atom.model cartn y ideal: -3.232
chem comp atom.model cartn z: 41.825
chem comp atom.model cartn z ideal: -1.136
chem comp atom.pdb atom id: CGA
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O1A,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: O1A
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: O1A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O1A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.098
chem comp atom.model cartn x ideal: -6.059
chem comp atom.model cartn y: -15.928
chem comp atom.model cartn y ideal: -3.405
chem comp atom.model cartn z: 41.683
chem comp atom.model cartn z ideal: -0.094
chem comp atom.pdb atom id: O1A
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2A,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: O2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: O2A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O2A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.657
chem comp atom.model cartn x ideal: -6.137
chem comp atom.model cartn y: -17.040
chem comp atom.model cartn y ideal: -3.311
chem comp atom.model cartn z: 42.940
chem comp atom.model cartn z ideal: -2.300
chem comp atom.pdb atom id: O2A
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C1B,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C1B
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C1B
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C1B
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.888
chem comp atom.model cartn x ideal: 2.664
chem comp atom.model cartn y: -18.698
chem comp atom.model cartn y ideal: -2.707
chem comp atom.model cartn z: 34.579
chem comp atom.model cartn z ideal: 0.308
chem comp atom.pdb atom id: C1B
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2B,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C2B
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C2B
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C2B
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.933
chem comp atom.model cartn x ideal: 3.937
chem comp atom.model cartn y: -18.535
chem comp atom.model cartn y ideal: -3.328
chem comp atom.model cartn z: 33.146
chem comp atom.model cartn z ideal: 0.418
chem comp atom.pdb atom id: C2B
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3B,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C3B
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C3B
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C3B
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.499
chem comp atom.model cartn x ideal: 4.874
chem comp atom.model cartn y: -19.716
chem comp atom.model cartn y ideal: -2.341
chem comp atom.model cartn z: 32.632
chem comp atom.model cartn z ideal: 0.314
chem comp atom.pdb atom id: C3B
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4B,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C4B
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C4B
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C4B
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.187
chem comp atom.model cartn x ideal: 4.117
chem comp atom.model cartn y: -20.580
chem comp atom.model cartn y ideal: -1.079
chem comp atom.model cartn z: 33.743
chem comp atom.model cartn z ideal: 0.139
chem comp atom.pdb atom id: C4B
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CMB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CMB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CMB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.391
chem comp atom.model cartn x ideal: 4.203
chem comp atom.model cartn y: -17.290
chem comp atom.model cartn y ideal: -4.798
chem comp atom.model cartn z: 32.422
chem comp atom.model cartn z ideal: 0.613
chem comp atom.pdb atom id: CMB
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CAB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CAB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.345
chem comp atom.model cartn x ideal: 6.339
chem comp atom.model cartn y: -20.140
chem comp atom.model cartn y ideal: -2.497
chem comp atom.model cartn z: 31.217
chem comp atom.model cartn z ideal: 0.365
chem comp atom.pdb atom id: CAB
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CBB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CBB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.755
chem comp atom.model cartn x ideal: 6.935
chem comp atom.model cartn y: -19.492
chem comp atom.model cartn y ideal: -3.419
chem comp atom.model cartn z: 30.233
chem comp atom.model cartn z ideal: -0.385
chem comp atom.pdb atom id: CBB
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C1C,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C1C
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C1C
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C1C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.395
chem comp atom.model cartn x ideal: 3.964
chem comp atom.model cartn y: -22.786
chem comp atom.model cartn y ideal: 1.345
chem comp atom.model cartn z: 34.659
chem comp atom.model cartn z ideal: -0.174
chem comp atom.pdb atom id: C1C
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2C,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C2C
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C2C
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C2C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.854
chem comp atom.model cartn x ideal: 4.531
chem comp atom.model cartn y: -24.130
chem comp atom.model cartn y ideal: 2.601
chem comp atom.model cartn z: 34.500
chem comp atom.model cartn z ideal: -0.445
chem comp atom.pdb atom id: C2C
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3C,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C3C
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C3C
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C3C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.689
chem comp atom.model cartn x ideal: 3.510
chem comp atom.model cartn y: -24.626
chem comp atom.model cartn y ideal: 3.536
chem comp atom.model cartn z: 35.757
chem comp atom.model cartn z ideal: -0.437
chem comp atom.pdb atom id: C3C
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4C,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C4C
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C4C
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C4C
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.139
chem comp atom.model cartn x ideal: 2.304
chem comp atom.model cartn y: -23.583
chem comp atom.model cartn y ideal: 2.846
chem comp atom.model cartn z: 36.674
chem comp atom.model cartn z ideal: -0.139
chem comp atom.pdb atom id: C4C
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMC,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CMC
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CMC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CMC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.550
chem comp atom.model cartn x ideal: 5.991
chem comp atom.model cartn y: -24.782
chem comp atom.model cartn y ideal: 2.880
chem comp atom.model cartn z: 33.175
chem comp atom.model cartn z ideal: -0.697
chem comp atom.pdb atom id: CMC
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAC,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CAC
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CAC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CAC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.164
chem comp atom.model cartn x ideal: 3.649
chem comp atom.model cartn y: -25.943
chem comp atom.model cartn y ideal: 4.981
chem comp atom.model cartn z: 36.196
chem comp atom.model cartn z ideal: -0.692
chem comp atom.pdb atom id: CAC
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBC,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CBC
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CBC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CBC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.498
chem comp atom.model cartn x ideal: 4.201
chem comp atom.model cartn y: -27.158
chem comp atom.model cartn y ideal: 5.407
chem comp atom.model cartn z: 35.750
chem comp atom.model cartn z ideal: -1.823
chem comp atom.pdb atom id: CBC
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C1D,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C1D
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C1D
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C1D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.550
chem comp atom.model cartn x ideal: -0.102
chem comp atom.model cartn y: -22.718
chem comp atom.model cartn y ideal: 2.753
chem comp atom.model cartn z: 38.980
chem comp atom.model cartn z ideal: 0.298
chem comp atom.pdb atom id: C1D
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2D,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C2D
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C2D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.513
chem comp atom.model cartn x ideal: -1.382
chem comp atom.model cartn y: -22.879
chem comp atom.model cartn y ideal: 3.388
chem comp atom.model cartn z: 40.415
chem comp atom.model cartn z ideal: 0.641
chem comp atom.pdb atom id: C2D
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3D,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C3D
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C3D
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C3D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.951
chem comp atom.model cartn x ideal: -2.283
chem comp atom.model cartn y: -21.691
chem comp atom.model cartn y ideal: 2.389
chem comp atom.model cartn z: 40.929
chem comp atom.model cartn z ideal: 0.774
chem comp atom.pdb atom id: C3D
chem comp atom.pdbx ordinal: 31
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4D,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C4D
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C4D
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C4D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.277
chem comp atom.model cartn x ideal: -1.561
chem comp atom.model cartn y: -20.826
chem comp atom.model cartn y ideal: 1.137
chem comp atom.model cartn z: 39.811
chem comp atom.model cartn z ideal: 0.511
chem comp atom.pdb atom id: C4D
chem comp atom.pdbx ordinal: 32
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMD,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CMD
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CMD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CMD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.055
chem comp atom.model cartn x ideal: -1.639
chem comp atom.model cartn y: -24.094
chem comp atom.model cartn y ideal: 4.863
chem comp atom.model cartn z: 41.156
chem comp atom.model cartn z ideal: 0.811
chem comp atom.pdb atom id: CMD
chem comp atom.pdbx ordinal: 33
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAD,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CAD
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CAD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CAD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.048
chem comp atom.model cartn x ideal: -3.741
chem comp atom.model cartn y: -21.326
chem comp atom.model cartn y ideal: 2.532
chem comp atom.model cartn z: 42.352
chem comp atom.model cartn z ideal: 1.123
chem comp atom.pdb atom id: CAD
chem comp atom.pdbx ordinal: 34
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBD,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CBD
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CBD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CBD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.741
chem comp atom.model cartn x ideal: -4.573
chem comp atom.model cartn y: -20.498
chem comp atom.model cartn y ideal: 2.563
chem comp atom.model cartn z: 42.530
chem comp atom.model cartn z ideal: -0.160
chem comp atom.pdb atom id: CBD
chem comp atom.pdbx ordinal: 35
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CGD,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: CGD
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: CGD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: CGD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.578
chem comp atom.model cartn x ideal: -6.032
chem comp atom.model cartn y: -19.987
chem comp atom.model cartn y ideal: 2.706
chem comp atom.model cartn z: 43.892
chem comp atom.model cartn z ideal: 0.189
chem comp atom.pdb atom id: CGD
chem comp atom.pdbx ordinal: 36
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O1D,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: O1D
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: O1D
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O1D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.387
chem comp atom.model cartn x ideal: -6.372
chem comp atom.model cartn y: -19.103
chem comp atom.model cartn y ideal: 2.776
chem comp atom.model cartn z: 44.303
chem comp atom.model cartn z ideal: 1.347
chem comp atom.pdb atom id: O1D
chem comp atom.pdbx ordinal: 37
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2D,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: O2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: O2D
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O2D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.401
chem comp atom.model cartn x ideal: -6.954
chem comp atom.model cartn y: -20.468
chem comp atom.model cartn y ideal: 2.755
chem comp atom.model cartn z: 44.537
chem comp atom.model cartn z ideal: -0.785
chem comp atom.pdb atom id: O2D
chem comp atom.pdbx ordinal: 38
chem comp atom.stereo config: N
chem comp atom.type symbol: O

NA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: NA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: NA
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: NA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.863
chem comp atom.model cartn x ideal: -0.068
chem comp atom.model cartn y: -18.969
chem comp atom.model cartn y ideal: -1.456
chem comp atom.model cartn z: 37.554
chem comp atom.model cartn z ideal: 0.321
chem comp atom.pdb atom id: NA
chem comp atom.pdbx ordinal: 39
chem comp atom.stereo config: N
chem comp atom.type symbol: N

NB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: NB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: NB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: NB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.439
chem comp atom.model cartn x ideal: 2.820
chem comp atom.model cartn y: -19.944
chem comp atom.model cartn y ideal: -1.386
chem comp atom.model cartn z: 34.911
chem comp atom.model cartn z ideal: 0.207
chem comp atom.pdb atom id: NB
chem comp atom.pdbx ordinal: 40
chem comp atom.stereo config: N
chem comp atom.type symbol: N

NC,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: NC
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: NC
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: NC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.537
chem comp atom.model cartn x ideal: 2.604
chem comp atom.model cartn y: -22.509
chem comp atom.model cartn y ideal: 1.506
chem comp atom.model cartn z: 35.976
chem comp atom.model cartn z ideal: -0.033
chem comp atom.pdb atom id: NC
chem comp atom.pdbx ordinal: 41
chem comp atom.stereo config: N
chem comp atom.type symbol: N

ND,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: ND
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: ND
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: ND
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.008
chem comp atom.model cartn x ideal: -0.276
chem comp atom.model cartn y: -21.465
chem comp atom.model cartn y ideal: 1.431
chem comp atom.model cartn z: 38.663
chem comp atom.model cartn z ideal: 0.298
chem comp atom.pdb atom id: ND
chem comp atom.pdbx ordinal: 42
chem comp atom.stereo config: N
chem comp atom.type symbol: N

FE,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: FE
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: FE
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: FE
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.196
chem comp atom.model cartn x ideal: 1.010
chem comp atom.model cartn y: -20.749
chem comp atom.model cartn y ideal: 0.157
chem comp atom.model cartn z: 36.814
chem comp atom.model cartn z ideal: -0.060
chem comp atom.pdb atom id: FE
chem comp atom.pdbx ordinal: 43
chem comp atom.stereo config: N
chem comp atom.type symbol: FE

HHB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HHB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HHB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HHB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.587
chem comp atom.model cartn x ideal: 1.498
chem comp atom.model cartn y: -16.798
chem comp atom.model cartn y ideal: -4.508
chem comp atom.model cartn z: 35.072
chem comp atom.model cartn z ideal: 0.309
chem comp atom.pdb atom id: HHB
chem comp atom.pdbx ordinal: 44
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHC,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HHC
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HHC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HHC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.553
chem comp atom.model cartn x ideal: 5.786
chem comp atom.model cartn y: -22.268
chem comp atom.model cartn y ideal: 0.229
chem comp atom.model cartn z: 32.633
chem comp atom.model cartn z ideal: -0.153
chem comp atom.pdb atom id: HHC
chem comp atom.pdbx ordinal: 45
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHD,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HHD
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HHD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HHD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.802
chem comp atom.model cartn x ideal: 1.018
chem comp atom.model cartn y: -24.613
chem comp atom.model cartn y ideal: 4.543
chem comp atom.model cartn z: 38.472
chem comp atom.model cartn z ideal: -0.083
chem comp atom.pdb atom id: HHD
chem comp atom.pdbx ordinal: 46
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HMA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.316
chem comp atom.model cartn x ideal: -1.220
chem comp atom.model cartn y: -15.524
chem comp atom.model cartn y ideal: -5.306
chem comp atom.model cartn z: 37.249
chem comp atom.model cartn z ideal: -0.847
chem comp atom.pdb atom id: HMA
chem comp atom.pdbx ordinal: 47
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMAA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HMAA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMAA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.749
chem comp atom.model cartn x ideal: -0.328
chem comp atom.model cartn y: -15.149
chem comp atom.model cartn y ideal: -5.480
chem comp atom.model cartn z: 36.455
chem comp atom.model cartn z ideal: 0.683
chem comp atom.pdb atom id: HMAA
chem comp atom.pdbx ordinal: 48
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMAB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HMAB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMAB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.998
chem comp atom.model cartn x ideal: -2.097
chem comp atom.model cartn y: -14.743
chem comp atom.model cartn y ideal: -5.285
chem comp atom.model cartn z: 38.187
chem comp atom.model cartn z ideal: 0.702
chem comp atom.pdb atom id: HMAB
chem comp atom.pdbx ordinal: 49
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HAA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HAA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.905
chem comp atom.model cartn x ideal: -3.662
chem comp atom.model cartn y: -15.575
chem comp atom.model cartn y ideal: -3.862
chem comp atom.model cartn z: 40.197
chem comp atom.model cartn z ideal: 0.782
chem comp atom.pdb atom id: HAA
chem comp atom.pdbx ordinal: 50
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAAA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HAAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HAAA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HAAA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.268
chem comp atom.model cartn x ideal: -4.024
chem comp atom.model cartn y: -16.991
chem comp atom.model cartn y ideal: -2.121
chem comp atom.model cartn z: 41.102
chem comp atom.model cartn z ideal: 0.869
chem comp atom.pdb atom id: HAAA
chem comp atom.pdbx ordinal: 51
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HBA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.368
chem comp atom.model cartn x ideal: -3.825
chem comp atom.model cartn y: -18.237
chem comp atom.model cartn y ideal: -1.956
chem comp atom.model cartn z: 40.627
chem comp atom.model cartn z ideal: -1.597
chem comp atom.pdb atom id: HBA
chem comp atom.pdbx ordinal: 52
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBAA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HBAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HBAA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBAA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.004
chem comp atom.model cartn x ideal: -3.464
chem comp atom.model cartn y: -16.819
chem comp atom.model cartn y ideal: -3.697
chem comp atom.model cartn z: 39.725
chem comp atom.model cartn z ideal: -1.684
chem comp atom.pdb atom id: HBAA
chem comp atom.pdbx ordinal: 53
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HMB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.319
chem comp atom.model cartn x ideal: 3.256
chem comp atom.model cartn y: -17.449
chem comp atom.model cartn y ideal: -5.336
chem comp atom.model cartn z: 31.336
chem comp atom.model cartn z ideal: 0.660
chem comp atom.pdb atom id: HMB
chem comp atom.pdbx ordinal: 54
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMBA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HMBA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMBA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.753
chem comp atom.model cartn x ideal: 4.794
chem comp atom.model cartn y: -16.442
chem comp atom.model cartn y ideal: -5.175
chem comp atom.model cartn z: 32.711
chem comp atom.model cartn z ideal: -0.222
chem comp atom.pdb atom id: HMBA
chem comp atom.pdbx ordinal: 55
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMBB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HMBB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMBB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.435
chem comp atom.model cartn x ideal: 4.752
chem comp atom.model cartn y: -17.072
chem comp atom.model cartn y ideal: -4.948
chem comp atom.model cartn z: 32.692
chem comp atom.model cartn z ideal: 1.543
chem comp atom.pdb atom id: HMBB
chem comp atom.pdbx ordinal: 56
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HAB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HAB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.770
chem comp atom.model cartn x ideal: 6.927
chem comp atom.model cartn y: -21.100
chem comp atom.model cartn y ideal: -1.863
chem comp atom.model cartn z: 30.963
chem comp atom.model cartn z ideal: 1.011
chem comp atom.pdb atom id: HAB
chem comp atom.pdbx ordinal: 57
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HBB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.719
chem comp atom.model cartn x ideal: 7.994
chem comp atom.model cartn y: -19.927
chem comp atom.model cartn y ideal: -3.600
chem comp atom.model cartn z: 29.245
chem comp atom.model cartn z ideal: -0.277
chem comp atom.pdb atom id: HBB
chem comp atom.pdbx ordinal: 58
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBBA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HBBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HBBA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBBA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.308
chem comp atom.model cartn x ideal: 6.360
chem comp atom.model cartn y: -18.526
chem comp atom.model cartn y ideal: -3.987
chem comp atom.model cartn z: 30.414
chem comp atom.model cartn z ideal: -1.102
chem comp atom.pdb atom id: HBBA
chem comp atom.pdbx ordinal: 59
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMC,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMC
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HMC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.153
chem comp atom.model cartn x ideal: 6.554
chem comp atom.model cartn y: -25.793
chem comp atom.model cartn y ideal: 1.949
chem comp atom.model cartn z: 33.346
chem comp atom.model cartn z ideal: -0.639
chem comp atom.pdb atom id: HMC
chem comp atom.pdbx ordinal: 60
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMCA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMCA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HMCA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMCA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.196
chem comp atom.model cartn x ideal: 6.110
chem comp atom.model cartn y: -24.182
chem comp atom.model cartn y ideal: 3.316
chem comp atom.model cartn z: 32.634
chem comp atom.model cartn z ideal: -1.689
chem comp atom.pdb atom id: HMCA
chem comp atom.pdbx ordinal: 61
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMCB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMCB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HMCB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMCB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.472
chem comp atom.model cartn x ideal: 6.362
chem comp atom.model cartn y: -24.846
chem comp atom.model cartn y ideal: 3.578
chem comp atom.model cartn z: 32.578
chem comp atom.model cartn z ideal: 0.053
chem comp atom.pdb atom id: HMCB
chem comp atom.pdbx ordinal: 62
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAC,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HAC
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HAC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HAC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.583
chem comp atom.model cartn x ideal: 3.303
chem comp atom.model cartn y: -25.916
chem comp atom.model cartn y ideal: 5.694
chem comp atom.model cartn z: 36.975
chem comp atom.model cartn z ideal: 0.042
chem comp atom.pdb atom id: HAC
chem comp atom.pdbx ordinal: 63
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBC,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HBC
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HBC
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBC
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.027
chem comp atom.model cartn x ideal: 4.614
chem comp atom.model cartn y: -28.035
chem comp atom.model cartn y ideal: 4.696
chem comp atom.model cartn z: 36.169
chem comp atom.model cartn z ideal: -2.523
chem comp atom.pdb atom id: HBC
chem comp atom.pdbx ordinal: 64
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBCA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HBCA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HBCA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBCA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.239
chem comp atom.model cartn x ideal: 4.235
chem comp atom.model cartn y: -27.263
chem comp atom.model cartn y ideal: 6.464
chem comp atom.model cartn z: 34.971
chem comp atom.model cartn z ideal: -2.043
chem comp atom.pdb atom id: HBCA
chem comp atom.pdbx ordinal: 65
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMD,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMD
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HMD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.142
chem comp atom.model cartn x ideal: -0.715
chem comp atom.model cartn y: -23.919
chem comp atom.model cartn y ideal: 5.415
chem comp atom.model cartn z: 42.238
chem comp atom.model cartn z ideal: 0.639
chem comp atom.pdb atom id: HMD
chem comp atom.pdbx ordinal: 66
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMDA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMDA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HMDA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMDA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.006
chem comp atom.model cartn x ideal: -2.394
chem comp atom.model cartn y: -24.304
chem comp atom.model cartn y ideal: 5.185
chem comp atom.model cartn z: 40.902
chem comp atom.model cartn z ideal: 0.094
chem comp atom.pdb atom id: HMDA
chem comp atom.pdbx ordinal: 67
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMDB,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HMDB
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HMDB
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HMDB
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.680
chem comp atom.model cartn x ideal: -1.994
chem comp atom.model cartn y: -24.954
chem comp atom.model cartn y ideal: 5.055
chem comp atom.model cartn z: 40.872
chem comp atom.model cartn z ideal: 1.824
chem comp atom.pdb atom id: HMDB
chem comp atom.pdbx ordinal: 68
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAD,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HAD
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HAD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HAD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.055
chem comp atom.model cartn x ideal: -4.052
chem comp atom.model cartn y: -22.216
chem comp atom.model cartn y ideal: 1.687
chem comp atom.model cartn z: 42.999
chem comp atom.model cartn z ideal: 1.738
chem comp atom.pdb atom id: HAD
chem comp atom.pdbx ordinal: 69
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HADA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HADA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HADA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HADA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.943
chem comp atom.model cartn x ideal: -3.893
chem comp atom.model cartn y: -20.719
chem comp atom.model cartn y ideal: 3.459
chem comp atom.model cartn z: 42.554
chem comp atom.model cartn z ideal: 1.677
chem comp atom.pdb atom id: HADA
chem comp atom.pdbx ordinal: 70
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBD,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HBD
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HBD
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBD
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.767
chem comp atom.model cartn x ideal: -4.262
chem comp atom.model cartn y: -19.646
chem comp atom.model cartn y ideal: 3.408
chem comp atom.model cartn z: 41.835
chem comp atom.model cartn z ideal: -0.775
chem comp atom.pdb atom id: HBD
chem comp atom.pdbx ordinal: 71
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBDA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HBDA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 0
chem comp atom.alt atom id: HBDA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HBDA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.119
chem comp atom.model cartn x ideal: -4.421
chem comp atom.model cartn y: -21.141
chem comp atom.model cartn y ideal: 1.636
chem comp atom.model cartn z: 42.290
chem comp atom.model cartn z ideal: -0.714
chem comp atom.pdb atom id: HBDA
chem comp atom.pdbx ordinal: 72
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2A,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: H2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: H2A
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2A
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.201
chem comp atom.model cartn x ideal: -7.082
chem comp atom.model cartn y: -16.682
chem comp atom.model cartn y ideal: -3.510
chem comp atom.model cartn z: 43.632
chem comp atom.model cartn z ideal: -2.254
chem comp atom.pdb atom id: H2A
chem comp atom.pdbx ordinal: 73
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2D,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: H2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: H2D
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H2D
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.445
chem comp atom.model cartn x ideal: -7.877
chem comp atom.model cartn y: -20.063
chem comp atom.model cartn y ideal: 2.847
chem comp atom.model cartn z: 45.395
chem comp atom.model cartn z ideal: -0.512
chem comp atom.pdb atom id: H2D
chem comp atom.pdbx ordinal: 74
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHA,HEM,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: HHA
chem comp atom.comp id: HEM
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: HHA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: HHA
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.913
chem comp atom.model cartn x ideal: -3.246
chem comp atom.model cartn y: -19.150
chem comp atom.model cartn y ideal: -0.188
chem comp atom.model cartn z: 40.893
chem comp atom.model cartn z ideal: 0.567
chem comp atom.pdb atom id: HHA
chem comp atom.pdbx ordinal: 75
chem comp atom.stereo config: N
chem comp atom.type symbol: H

C,CYN,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: C
chem comp atom.comp id: CYN
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: C
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C
chem comp atom.charge: -1
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.708
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: -5.042
chem comp atom.model cartn y ideal: 0.000
chem comp atom.model cartn z: 17.519
chem comp atom.model cartn z ideal: -0.611
chem comp atom.pdb atom id: C
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: C

N,CYN,51847
type: chem comp atom
of datablock: info:bmrb/51847
reference to entry: entry
chem comp atom.atom id: N
chem comp atom.comp id: CYN
chem comp atom.entry id: 51847
chem comp atom.align: 1
chem comp atom.alt atom id: N
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: N
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.693
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: -5.522
chem comp atom.model cartn y ideal: 0.000
chem comp atom.model cartn z: 16.471
chem comp atom.model cartn z ideal: 0.524
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: N

HEM,51847,1
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: C1A
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

CYN,51847,2
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: CYN
chem comp bond.entry id: 51847
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: N
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: TRIP

HEM,51847,3
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: C4D
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,4
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 4
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: HHA
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,5
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 5
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,6
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 6
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: C1B
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,7
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 7
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: HHB
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,8
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 8
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: C4B
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,9
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 9
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: C1C
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,10
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 10
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: HHC
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,11
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 11
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: C4C
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,12
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 12
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: C1D
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,13
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 13
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: HHD
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,14
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 14
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1A
chem comp bond.atom id 2: C2A
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,15
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 15
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1A
chem comp bond.atom id 2: NA
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,16
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 16
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2A
chem comp bond.atom id 2: C3A
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,17
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 17
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2A
chem comp bond.atom id 2: CAA
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,18
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 18
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3A
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,19
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 19
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3A
chem comp bond.atom id 2: CMA
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,20
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 20
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C4A
chem comp bond.atom id 2: NA
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,21
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 21
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMA
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,22
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 22
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMAA
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,23
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 23
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMAB
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,24
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 24
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: CBA
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,25
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: HAA
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,26
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 26
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: HAAA
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,27
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: CGA
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,28
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: HBA
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,29
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: HBAA
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,30
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 30
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGA
chem comp bond.atom id 2: O1A
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,31
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 31
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGA
chem comp bond.atom id 2: O2A
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,32
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 32
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1B
chem comp bond.atom id 2: C2B
chem comp bond.ordinal: 31
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,33
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 33
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1B
chem comp bond.atom id 2: NB
chem comp bond.ordinal: 32
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,34
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 34
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2B
chem comp bond.atom id 2: C3B
chem comp bond.ordinal: 33
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,35
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 35
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2B
chem comp bond.atom id 2: CMB
chem comp bond.ordinal: 34
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,36
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 36
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3B
chem comp bond.atom id 2: C4B
chem comp bond.ordinal: 35
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,37
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 37
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3B
chem comp bond.atom id 2: CAB
chem comp bond.ordinal: 36
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,38
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 38
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4B
chem comp bond.atom id 2: NB
chem comp bond.ordinal: 37
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,39
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 39
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMB
chem comp bond.ordinal: 38
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,40
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 40
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMBA
chem comp bond.ordinal: 39
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,41
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 41
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMBB
chem comp bond.ordinal: 40
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,42
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 42
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAB
chem comp bond.atom id 2: CBB
chem comp bond.ordinal: 41
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,43
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 43
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAB
chem comp bond.atom id 2: HAB
chem comp bond.ordinal: 42
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,44
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 44
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBB
chem comp bond.atom id 2: HBB
chem comp bond.ordinal: 43
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,45
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 45
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBB
chem comp bond.atom id 2: HBBA
chem comp bond.ordinal: 44
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,46
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 46
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1C
chem comp bond.atom id 2: C2C
chem comp bond.ordinal: 45
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,47
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 47
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1C
chem comp bond.atom id 2: NC
chem comp bond.ordinal: 46
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,48
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 48
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2C
chem comp bond.atom id 2: C3C
chem comp bond.ordinal: 47
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,49
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 49
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2C
chem comp bond.atom id 2: CMC
chem comp bond.ordinal: 48
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,50
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 50
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3C
chem comp bond.atom id 2: C4C
chem comp bond.ordinal: 49
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,51
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 51
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3C
chem comp bond.atom id 2: CAC
chem comp bond.ordinal: 50
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,52
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 52
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C4C
chem comp bond.atom id 2: NC
chem comp bond.ordinal: 51
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,53
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 53
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMC
chem comp bond.ordinal: 52
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,54
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 54
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMCA
chem comp bond.ordinal: 53
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,55
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 55
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMCB
chem comp bond.ordinal: 54
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,56
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 56
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: CBC
chem comp bond.ordinal: 55
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,57
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 57
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: HAC
chem comp bond.ordinal: 56
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,58
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 58
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBC
chem comp bond.atom id 2: HBC
chem comp bond.ordinal: 57
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,59
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 59
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBC
chem comp bond.atom id 2: HBCA
chem comp bond.ordinal: 58
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,60
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 60
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1D
chem comp bond.atom id 2: C2D
chem comp bond.ordinal: 59
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,61
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 61
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1D
chem comp bond.atom id 2: ND
chem comp bond.ordinal: 60
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,62
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 62
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2D
chem comp bond.atom id 2: C3D
chem comp bond.ordinal: 61
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,63
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 63
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2D
chem comp bond.atom id 2: CMD
chem comp bond.ordinal: 62
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,64
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 64
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3D
chem comp bond.atom id 2: C4D
chem comp bond.ordinal: 63
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,65
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 65
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3D
chem comp bond.atom id 2: CAD
chem comp bond.ordinal: 64
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,66
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 66
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4D
chem comp bond.atom id 2: ND
chem comp bond.ordinal: 65
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,67
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 67
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMD
chem comp bond.ordinal: 66
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,68
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 68
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMDA
chem comp bond.ordinal: 67
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,69
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 69
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMDB
chem comp bond.ordinal: 68
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,70
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 70
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: CBD
chem comp bond.ordinal: 69
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,71
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 71
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: HAD
chem comp bond.ordinal: 70
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,72
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 72
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: HADA
chem comp bond.ordinal: 71
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,73
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 73
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: CGD
chem comp bond.ordinal: 72
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,74
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 74
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: HBD
chem comp bond.ordinal: 73
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,75
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 75
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: HBDA
chem comp bond.ordinal: 74
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,76
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 76
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGD
chem comp bond.atom id 2: O1D
chem comp bond.ordinal: 75
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,51847,77
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 77
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGD
chem comp bond.atom id 2: O2D
chem comp bond.ordinal: 76
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,78
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 78
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2A
chem comp bond.atom id 2: H2A
chem comp bond.ordinal: 77
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,79
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 79
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2D
chem comp bond.atom id 2: H2D
chem comp bond.ordinal: 78
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,80
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 80
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NA
chem comp bond.ordinal: 79
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,81
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 81
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NB
chem comp bond.ordinal: 80
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,82
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 82
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NC
chem comp bond.ordinal: 81
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,51847,83
type: chem comp bond
of datablock: info:bmrb/51847
chem comp bond.comp id: HEM
chem comp bond.entry id: 51847
chem comp bond.id: 83
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: ND
chem comp bond.ordinal: 82
chem comp bond.stereo config: N
chem comp bond.value order: SING

http://bmrbpub.pdbj.org/rdf/bmr51847/chem_comp_descriptor/HEM,C%3D1c3c(c(c4C%3DC5C(%3DC(C%3D6C%3DC7C(%3DC(C8%3DCC%3D2C(%3DC(C%3D1N%3D2%5BFe%5D(n34)(N5%3D6,51847,ACD,12.01,SMILES
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
chem comp descriptor.entry id: 51847
chem comp descriptor.program: ACD
chem comp descriptor.program version: 12.01
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr51847/chem_comp_descriptor/HEM,CC1%3DC(CCC(O)%3DO)C2%3DCc3n4%5BFe%5D5%7C6%7CN2%3DC1C%3Dc7n5c(%3DCC8%3DN%7C6C(%3DCc4c(C)c3,51847,CACTVS,3.385,SMILES
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
chem comp descriptor.entry id: 51847
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.385
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr51847/chem_comp_descriptor/HEM,CC1%3DC(CCC(O)%3DO)C2%3DCc3n4%5BFe%5D5%7C6%7CN2%3DC1C%3Dc7n5c(%3DCC8%3DN%7C6C(%3DCc4c(C)c3,51847,CACTVS,3.385,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
chem comp descriptor.entry id: 51847
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.385
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr51847/chem_comp_descriptor/HEM,Cc1c2n3c(c1CCC(%3DO)O)C%3DC4C(%3DC(C5%3D%5BN%5D4%5BFe%5D36%5BN%5D7%3DC(C%3DC8N6C(%3DC5)C(%3D,51847,OECHEM,1.7.6,SMILES
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
chem comp descriptor.entry id: 51847
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.6
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr51847/chem_comp_descriptor/HEM,Cc1c2n3c(c1CCC(%3DO)O)C%3DC4C(%3DC(C5%3D%5BN%5D4%5BFe%5D36%5BN%5D7%3DC(C%3DC8N6C(%3DC5)C(%3D,51847,OECHEM,1.7.6,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
chem comp descriptor.entry id: 51847
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.6
chem comp descriptor.type: SMILES_CANONICAL

HEM,,51847,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
chem comp descriptor.entry id: 51847
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

HEM,KABFMIBPWCXCRK-RGGAHWMASA-L,51847,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: KABFMIBPWCXCRK-RGGAHWMASA-L
chem comp descriptor.entry id: 51847
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr51847/chem_comp_descriptor/CYN,InChI%3D1S%2FCN%2Fc1-2%2Fq-1,51847,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: CYN
chem comp descriptor.descriptor: InChI=1S/CN/c1-2/q-1
chem comp descriptor.entry id: 51847
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

CYN,XFXPMWWXUTWYJX-UHFFFAOYSA-N,51847,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: CYN
chem comp descriptor.descriptor: XFXPMWWXUTWYJX-UHFFFAOYSA-N
chem comp descriptor.entry id: 51847
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

CYN,[C-]#N,51847,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: CYN
chem comp descriptor.descriptor: [C-]#N
chem comp descriptor.entry id: 51847
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

CYN,[C-]#N,51847,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: CYN
chem comp descriptor.descriptor: [C-]#N
chem comp descriptor.entry id: 51847
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

CYN,[C-]#N,51847,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: CYN
chem comp descriptor.descriptor: [C-]#N
chem comp descriptor.entry id: 51847
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

CYN,[C-]#N,51847,CACTVS,3.341,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: CYN
chem comp descriptor.descriptor: [C-]#N
chem comp descriptor.entry id: 51847
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

CYN,[C-]#N,51847,OECHEM,1.5.0,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/51847
chem comp descriptor.comp id: CYN
chem comp descriptor.descriptor: [C-]#N
chem comp descriptor.entry id: 51847
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

HEM,51847,3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,OECHEM,1.6.1,systematic name
type: chem comp identifier
of datablock: info:bmrb/51847
chem comp identifier.comp id: HEM
chem comp identifier.entry id: 51847
chem comp identifier.identifier: 3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.6.1
chem comp identifier.type: systematic name

HEM,51847,[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,ACD,12.01,systematic name
type: chem comp identifier
of datablock: info:bmrb/51847
chem comp identifier.comp id: HEM
chem comp identifier.entry id: 51847
chem comp identifier.identifier: [3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]iron
chem comp identifier.program: ACD
chem comp identifier.program version: 12.01
chem comp identifier.type: systematic name

CYN,51847,cyanide,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/51847
chem comp identifier.comp id: CYN
chem comp identifier.entry id: 51847
chem comp identifier.identifier: cyanide
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

CYN,51847,cyanide,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/51847
chem comp identifier.comp id: CYN
chem comp identifier.entry id: 51847
chem comp identifier.identifier: cyanide
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

1,51847,1
type: chem shift experiment
of datablock: info:bmrb/51847
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 51847
chem shift experiment.experiment id: 1
chem shift experiment.experiment name: 2D 1H-15N HSQC
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,51847,2
type: chem shift experiment
of datablock: info:bmrb/51847
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 51847
chem shift experiment.experiment id: 2
chem shift experiment.experiment name: 3D HNCO
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,51847,3
type: chem shift experiment
of datablock: info:bmrb/51847
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 51847
chem shift experiment.experiment id: 3
chem shift experiment.experiment name: 3D CBCA(CO)NH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,51847,4
type: chem shift experiment
of datablock: info:bmrb/51847
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 51847
chem shift experiment.experiment id: 4
chem shift experiment.experiment name: 3D HNCACB
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,51847,5
type: chem shift experiment
of datablock: info:bmrb/51847
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 51847
chem shift experiment.experiment id: 5
chem shift experiment.experiment name: 3D HBHA(CO)NH
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,51847,6
type: chem shift experiment
of datablock: info:bmrb/51847
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 51847
chem shift experiment.experiment id: 6
chem shift experiment.experiment name: 3D HCCH-TOCSY
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,51847,7
type: chem shift experiment
of datablock: info:bmrb/51847
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 51847
chem shift experiment.experiment id: 7
chem shift experiment.experiment name: 3D (H)CCH-TOCSY
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

2,51847,8
type: chem shift experiment
of datablock: info:bmrb/51847
chem shift experiment.assigned chem shift list id: 2
chem shift experiment.entry id: 51847
chem shift experiment.experiment id: 8
chem shift experiment.experiment name: 1D 1H
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

2,51847,9
type: chem shift experiment
of datablock: info:bmrb/51847
chem shift experiment.assigned chem shift list id: 2
chem shift experiment.entry id: 51847
chem shift experiment.experiment id: 9
chem shift experiment.experiment name: 2D DQF-COSY
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

2,51847,10
type: chem shift experiment
of datablock: info:bmrb/51847
chem shift experiment.assigned chem shift list id: 2
chem shift experiment.entry id: 51847
chem shift experiment.experiment id: 10
chem shift experiment.experiment name: 2D 1H-1H TOCSY
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

2,51847,11
type: chem shift experiment
of datablock: info:bmrb/51847
chem shift experiment.assigned chem shift list id: 2
chem shift experiment.entry id: 51847
chem shift experiment.experiment id: 11
chem shift experiment.experiment name: 2D 1H-1H NOESY
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

13,C,1,51847,DSS
type: chem shift ref
of datablock: info:bmrb/51847
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: 51847
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: 0.2514495
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: na
chem shift ref.ref type: indirect

1,H,1,51847,water
type: chem shift ref
of datablock: info:bmrb/51847
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: 51847
chem shift ref.mol common name: water
chem shift ref.atom group: protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 4.77
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: direct

15,N,1,51847,DSS
type: chem shift ref
of datablock: info:bmrb/51847
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: 51847
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: 0.1013291
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: na
chem shift ref.ref type: indirect

51847,1
type: chem shift reference
of datablock: info:bmrb/51847
reference to entry: entry
chem shift reference.entry id: 51847
chem shift reference.id: 1
chem shift reference.name: reference_1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chem_shift_reference_1

1,51847,3
type: chem shift software
of datablock: info:bmrb/51847
chem shift software.assigned chem shift list id: 1
chem shift software.entry id: 51847
chem shift software.software id: 3
chem shift software.method id: 0
chem shift software.software label: software_3

1,51847,4
type: chem shift software
of datablock: info:bmrb/51847
chem shift software.assigned chem shift list id: 1
chem shift software.entry id: 51847
chem shift software.software id: 4
chem shift software.method id: 0
chem shift software.software label: software_4

1,51847,5
type: chem shift software
of datablock: info:bmrb/51847
chem shift software.assigned chem shift list id: 1
chem shift software.entry id: 51847
chem shift software.software id: 5
chem shift software.method id: 0
chem shift software.software label: software_5

2,51847,3
type: chem shift software
of datablock: info:bmrb/51847
chem shift software.assigned chem shift list id: 2
chem shift software.entry id: 51847
chem shift software.software id: 3
chem shift software.method id: 0
chem shift software.software label: software_3

2,51847,4
type: chem shift software
of datablock: info:bmrb/51847
chem shift software.assigned chem shift list id: 2
chem shift software.entry id: 51847
chem shift software.software id: 4
chem shift software.method id: 0
chem shift software.software label: software_4

2,51847,5
type: chem shift software
of datablock: info:bmrb/51847
chem shift software.assigned chem shift list id: 2
chem shift software.entry id: 51847
chem shift software.software id: 5
chem shift software.method id: 0
chem shift software.software label: software_5

51847,1
type: citation
of datablock: info:bmrb/51847
reference to entry: entry
citation.entry id: 51847
citation.id: 1
citation.class: entry citation
citation.doi: 10.1016/j.bpj.2023.06.016
citation.journal abbrev: Biophys. J.
citation.journal issn: 0006-3495
citation.journal issue: 15
citation.journal name full: Biophysical journal
citation.journal volume: 122
citation.page first: 3117
citation.page last: 3132
citation.pubmed id: 37353934
citation.sf category: citations
citation.sf framecode: citations_1
citation.status: published
citation.title: Architectural digest: Thermodynamic stability and domain structure of a consensus monomeric globin.
citation.type: journal
citation.year: 2023

info:doi/10.1016/j.bpj.2023.06.016

doi:10.1016/j.bpj.2023.06.016

urn:ISSN:0006-3495

issn:0006-3495

info:pmid/37353934

pubmed:37353934

1,51847,1
type: citation author
of datablock: info:bmrb/51847
citation author.citation id: 1
citation author.entry id: 51847
citation author.ordinal: 1
citation author.family name: Martinez Grundman
citation author.given name: Jaime
citation author.middle initials: E.
citation author.pdbx name: Martinez Grundman, J.E.

1,51847,2
type: citation author
of datablock: info:bmrb/51847
citation author.citation id: 1
citation author.entry id: 51847
citation author.ordinal: 2
citation author.family name: Johnson
citation author.given name: Eric
citation author.middle initials: A.
citation author.pdbx name: Johnson, E.A.

1,51847,3
type: citation author
of datablock: info:bmrb/51847
citation author.citation id: 1
citation author.entry id: 51847
citation author.ordinal: 3
citation author.family name: Lecomte
citation author.given name: Juliette
citation author.middle initials: T.J.
citation author.pdbx name: Lecomte, J.T.J.

1,51847,consensus sequence; heme binding
type: citation keyword
of datablock: info:bmrb/51847
citation keyword.citation id: 1
citation keyword.entry id: 51847
citation keyword.keyword: consensus sequence; heme binding

51847,assigned chemical shifts
type: data set
of datablock: info:bmrb/51847
reference to entry: entry
data set.entry id: 51847
data set.type: assigned_chemical_shifts
data set.count: 2

51847,13C chemical shifts
type: datum
of datablock: info:bmrb/51847
reference to entry: entry
datum.entry id: 51847
datum.type: 13C chemical shifts
datum.count: 336

51847,15N chemical shifts
type: datum
of datablock: info:bmrb/51847
reference to entry: entry
datum.entry id: 51847
datum.type: 15N chemical shifts
datum.count: 112

51847,1H chemical shifts
type: datum
of datablock: info:bmrb/51847
reference to entry: entry
datum.entry id: 51847
datum.type: 1H chemical shifts
datum.count: 235

51847,1
type: entity
of datablock: info:bmrb/51847
reference to entry: entry
entity.entry id: 51847
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: yes
entity.formula weight: 13210.59
entity.name: entity 1
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.number of monomers: 119
entity.paramagnetic: no
entity.parent entity id: 1
entity.polymer author defined seq: 2,S
entity.polymer author seq details: Initial Met (Met1) is cleaved
entity.polymer seq one letter code: SSLYERIGGEEAVEAVVDDFYKRVLADDRLAPFFEGTDMERQRAHQKAFLTAALGGPVEYTGRDMREAHAGLGITDEHFDAVAEHLVATLRELGVPEELIDEVLAIVASLRDDVLNRNK
entity.polymer seq one letter code can: SSLYERIGGEEAVEAVVDDFYKRVLADDRLAPFFEGTDMERQRAHQKAFLTAALGGPVEYTGRDMREAHAGLGITDEHFDAVAEHLVATLRELGVPEELIDEVLAIVASLRDDVLNRNK
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: entity_1
entity.thiol state: not present
entity.type: polymer

51847,2
type: entity
of datablock: info:bmrb/51847
reference to entry: entry
entity.entry id: 51847
entity.id: 2
entity.bmrb code: HEM
entity.formula weight: 616.487
entity.name: entity HEM
entity.nonpolymer comp id: HEM
entity.nonpolymer comp label: chem_comp_HEM
entity.number of nonpolymer components: 1
entity.parent entity id: 2
entity.polymer seq one letter code can: (HEM)
entity.sf category: entity
entity.sf framecode: entity_HEM
entity.type: non-polymer

51847,3
type: entity
of datablock: info:bmrb/51847
reference to entry: entry
entity.entry id: 51847
entity.id: 3
entity.bmrb code: CYN
entity.formula weight: 26.017
entity.name: entity CYN
entity.nonpolymer comp id: CYN
entity.nonpolymer comp label: chem_comp_CYN
entity.number of nonpolymer components: 1
entity.parent entity id: 3
entity.polymer seq one letter code can: (CYN)
entity.sf category: entity
entity.sf framecode: entity_CYN
entity.type: non-polymer

1,51847,1
type: entity assembly
of datablock: info:bmrb/51847
entity assembly.assembly id: 1
entity assembly.entry id: 51847
entity assembly.id: 1
entity assembly.chemical exchange state: yes
entity assembly.conformational isomer: yes
entity assembly.entity assembly name: cGlbN
entity assembly.entity id: 1
entity assembly.entity label: entity_1
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,51847,2
type: entity assembly
of datablock: info:bmrb/51847
entity assembly.assembly id: 1
entity assembly.entry id: 51847
entity assembly.id: 2
entity assembly.chemical exchange state: yes
entity assembly.conformational isomer: yes
entity assembly.entity assembly name: heme
entity assembly.entity id: 2
entity assembly.entity label: entity_HEM
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,51847,3
type: entity assembly
of datablock: info:bmrb/51847
entity assembly.assembly id: 1
entity assembly.entry id: 51847
entity assembly.id: 3
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: cyanide
entity assembly.entity id: 3
entity assembly.entity label: entity_CYN
entity assembly.experimental data reported: no
entity assembly.physical state: native

2,51847,PROTOPORPHYRIN IX CONTAINING FE,BMRB
type: entity common name
of datablock: info:bmrb/51847
entity common name.entity id: 2
entity common name.entry id: 51847
entity common name.name: PROTOPORPHYRIN IX CONTAINING FE
entity common name.type: BMRB

3,51847,CYANIDE ION,BMRB
type: entity common name
of datablock: info:bmrb/51847
entity common name.entity id: 3
entity common name.entry id: 51847
entity common name.name: CYANIDE ION
entity common name.type: BMRB

1,51847,1
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 1
entity comp index.auth seq id: 2
entity comp index.comp id: SER

1,51847,2
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 2
entity comp index.auth seq id: 3
entity comp index.comp id: SER

1,51847,3
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 3
entity comp index.auth seq id: 4
entity comp index.comp id: LEU

1,51847,4
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 4
entity comp index.auth seq id: 5
entity comp index.comp id: TYR

1,51847,5
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 5
entity comp index.auth seq id: 6
entity comp index.comp id: GLU

1,51847,6
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 6
entity comp index.auth seq id: 7
entity comp index.comp id: ARG

1,51847,7
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 7
entity comp index.auth seq id: 8
entity comp index.comp id: ILE

1,51847,8
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 8
entity comp index.auth seq id: 9
entity comp index.comp id: GLY

1,51847,9
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 9
entity comp index.auth seq id: 10
entity comp index.comp id: GLY

1,51847,10
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 10
entity comp index.auth seq id: 11
entity comp index.comp id: GLU

1,51847,11
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 11
entity comp index.auth seq id: 12
entity comp index.comp id: GLU

1,51847,12
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 12
entity comp index.auth seq id: 13
entity comp index.comp id: ALA

1,51847,13
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 13
entity comp index.auth seq id: 14
entity comp index.comp id: VAL

1,51847,14
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 14
entity comp index.auth seq id: 15
entity comp index.comp id: GLU

1,51847,15
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 15
entity comp index.auth seq id: 16
entity comp index.comp id: ALA

1,51847,16
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 16
entity comp index.auth seq id: 17
entity comp index.comp id: VAL

1,51847,17
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 17
entity comp index.auth seq id: 18
entity comp index.comp id: VAL

1,51847,18
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 18
entity comp index.auth seq id: 19
entity comp index.comp id: ASP

1,51847,19
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 19
entity comp index.auth seq id: 20
entity comp index.comp id: ASP

1,51847,20
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 20
entity comp index.auth seq id: 21
entity comp index.comp id: PHE

1,51847,21
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 21
entity comp index.auth seq id: 22
entity comp index.comp id: TYR

1,51847,22
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 22
entity comp index.auth seq id: 23
entity comp index.comp id: LYS

1,51847,23
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 23
entity comp index.auth seq id: 24
entity comp index.comp id: ARG

1,51847,24
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 24
entity comp index.auth seq id: 25
entity comp index.comp id: VAL

1,51847,25
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 25
entity comp index.auth seq id: 26
entity comp index.comp id: LEU

1,51847,26
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 26
entity comp index.auth seq id: 27
entity comp index.comp id: ALA

1,51847,27
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 27
entity comp index.auth seq id: 28
entity comp index.comp id: ASP

1,51847,28
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 28
entity comp index.auth seq id: 29
entity comp index.comp id: ASP

1,51847,29
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 29
entity comp index.auth seq id: 30
entity comp index.comp id: ARG

1,51847,30
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 30
entity comp index.auth seq id: 31
entity comp index.comp id: LEU

1,51847,31
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 31
entity comp index.auth seq id: 32
entity comp index.comp id: ALA

1,51847,32
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 32
entity comp index.auth seq id: 33
entity comp index.comp id: PRO

1,51847,33
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 33
entity comp index.auth seq id: 34
entity comp index.comp id: PHE

1,51847,34
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 34
entity comp index.auth seq id: 35
entity comp index.comp id: PHE

1,51847,35
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 35
entity comp index.auth seq id: 36
entity comp index.comp id: GLU

1,51847,36
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 36
entity comp index.auth seq id: 37
entity comp index.comp id: GLY

1,51847,37
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 37
entity comp index.auth seq id: 38
entity comp index.comp id: THR

1,51847,38
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 38
entity comp index.auth seq id: 39
entity comp index.comp id: ASP

1,51847,39
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 39
entity comp index.auth seq id: 40
entity comp index.comp id: MET

1,51847,40
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 40
entity comp index.auth seq id: 41
entity comp index.comp id: GLU

1,51847,41
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 41
entity comp index.auth seq id: 42
entity comp index.comp id: ARG

1,51847,42
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 42
entity comp index.auth seq id: 43
entity comp index.comp id: GLN

1,51847,43
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 43
entity comp index.auth seq id: 44
entity comp index.comp id: ARG

1,51847,44
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 44
entity comp index.auth seq id: 45
entity comp index.comp id: ALA

1,51847,45
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 45
entity comp index.auth seq id: 46
entity comp index.comp id: HIS

1,51847,46
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 46
entity comp index.auth seq id: 47
entity comp index.comp id: GLN

1,51847,47
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 47
entity comp index.auth seq id: 48
entity comp index.comp id: LYS

1,51847,48
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 48
entity comp index.auth seq id: 49
entity comp index.comp id: ALA

1,51847,49
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 49
entity comp index.auth seq id: 50
entity comp index.comp id: PHE

1,51847,50
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 50
entity comp index.auth seq id: 51
entity comp index.comp id: LEU

1,51847,51
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 51
entity comp index.auth seq id: 52
entity comp index.comp id: THR

1,51847,52
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 52
entity comp index.auth seq id: 53
entity comp index.comp id: ALA

1,51847,53
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 53
entity comp index.auth seq id: 54
entity comp index.comp id: ALA

1,51847,54
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 54
entity comp index.auth seq id: 55
entity comp index.comp id: LEU

1,51847,55
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 55
entity comp index.auth seq id: 56
entity comp index.comp id: GLY

1,51847,56
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 56
entity comp index.auth seq id: 57
entity comp index.comp id: GLY

1,51847,57
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 57
entity comp index.auth seq id: 58
entity comp index.comp id: PRO

1,51847,58
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 58
entity comp index.auth seq id: 59
entity comp index.comp id: VAL

1,51847,59
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 59
entity comp index.auth seq id: 60
entity comp index.comp id: GLU

1,51847,60
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 60
entity comp index.auth seq id: 61
entity comp index.comp id: TYR

1,51847,61
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 61
entity comp index.auth seq id: 62
entity comp index.comp id: THR

1,51847,62
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 62
entity comp index.auth seq id: 63
entity comp index.comp id: GLY

1,51847,63
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 63
entity comp index.auth seq id: 64
entity comp index.comp id: ARG

1,51847,64
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 64
entity comp index.auth seq id: 65
entity comp index.comp id: ASP

1,51847,65
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 65
entity comp index.auth seq id: 66
entity comp index.comp id: MET

1,51847,66
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 66
entity comp index.auth seq id: 67
entity comp index.comp id: ARG

1,51847,67
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 67
entity comp index.auth seq id: 68
entity comp index.comp id: GLU

1,51847,68
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 68
entity comp index.auth seq id: 69
entity comp index.comp id: ALA

1,51847,69
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 69
entity comp index.auth seq id: 70
entity comp index.comp id: HIS

1,51847,70
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 70
entity comp index.auth seq id: 71
entity comp index.comp id: ALA

1,51847,71
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 71
entity comp index.auth seq id: 72
entity comp index.comp id: GLY

1,51847,72
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 72
entity comp index.auth seq id: 73
entity comp index.comp id: LEU

1,51847,73
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 73
entity comp index.auth seq id: 74
entity comp index.comp id: GLY

1,51847,74
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 74
entity comp index.auth seq id: 75
entity comp index.comp id: ILE

1,51847,75
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 75
entity comp index.auth seq id: 76
entity comp index.comp id: THR

1,51847,76
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 76
entity comp index.auth seq id: 77
entity comp index.comp id: ASP

1,51847,77
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 77
entity comp index.auth seq id: 78
entity comp index.comp id: GLU

1,51847,78
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 78
entity comp index.auth seq id: 79
entity comp index.comp id: HIS

1,51847,79
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 79
entity comp index.auth seq id: 80
entity comp index.comp id: PHE

1,51847,80
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 80
entity comp index.auth seq id: 81
entity comp index.comp id: ASP

1,51847,81
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 81
entity comp index.auth seq id: 82
entity comp index.comp id: ALA

1,51847,82
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 82
entity comp index.auth seq id: 83
entity comp index.comp id: VAL

1,51847,83
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 83
entity comp index.auth seq id: 84
entity comp index.comp id: ALA

1,51847,84
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 84
entity comp index.auth seq id: 85
entity comp index.comp id: GLU

1,51847,85
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 85
entity comp index.auth seq id: 86
entity comp index.comp id: HIS

1,51847,86
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 86
entity comp index.auth seq id: 87
entity comp index.comp id: LEU

1,51847,87
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 87
entity comp index.auth seq id: 88
entity comp index.comp id: VAL

1,51847,88
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 88
entity comp index.auth seq id: 89
entity comp index.comp id: ALA

1,51847,89
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 89
entity comp index.auth seq id: 90
entity comp index.comp id: THR

1,51847,90
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 90
entity comp index.auth seq id: 91
entity comp index.comp id: LEU

1,51847,91
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 91
entity comp index.auth seq id: 92
entity comp index.comp id: ARG

1,51847,92
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 92
entity comp index.auth seq id: 93
entity comp index.comp id: GLU

1,51847,93
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 93
entity comp index.auth seq id: 94
entity comp index.comp id: LEU

1,51847,94
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 94
entity comp index.auth seq id: 95
entity comp index.comp id: GLY

1,51847,95
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 95
entity comp index.auth seq id: 96
entity comp index.comp id: VAL

1,51847,96
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 96
entity comp index.auth seq id: 97
entity comp index.comp id: PRO

1,51847,97
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 97
entity comp index.auth seq id: 98
entity comp index.comp id: GLU

1,51847,98
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 98
entity comp index.auth seq id: 99
entity comp index.comp id: GLU

1,51847,99
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 99
entity comp index.auth seq id: 100
entity comp index.comp id: LEU

1,51847,100
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 100
entity comp index.auth seq id: 101
entity comp index.comp id: ILE

1,51847,101
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 101
entity comp index.auth seq id: 102
entity comp index.comp id: ASP

1,51847,102
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 102
entity comp index.auth seq id: 103
entity comp index.comp id: GLU

1,51847,103
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 103
entity comp index.auth seq id: 104
entity comp index.comp id: VAL

1,51847,104
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 104
entity comp index.auth seq id: 105
entity comp index.comp id: LEU

1,51847,105
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 105
entity comp index.auth seq id: 106
entity comp index.comp id: ALA

1,51847,106
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 106
entity comp index.auth seq id: 107
entity comp index.comp id: ILE

1,51847,107
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 107
entity comp index.auth seq id: 108
entity comp index.comp id: VAL

1,51847,108
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 108
entity comp index.auth seq id: 109
entity comp index.comp id: ALA

1,51847,109
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 109
entity comp index.auth seq id: 110
entity comp index.comp id: SER

1,51847,110
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 110
entity comp index.auth seq id: 111
entity comp index.comp id: LEU

1,51847,111
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 111
entity comp index.auth seq id: 112
entity comp index.comp id: ARG

1,51847,112
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 112
entity comp index.auth seq id: 113
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1,51847,113
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 113
entity comp index.auth seq id: 114
entity comp index.comp id: ASP

1,51847,114
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 114
entity comp index.auth seq id: 115
entity comp index.comp id: VAL

1,51847,115
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 115
entity comp index.auth seq id: 116
entity comp index.comp id: LEU

1,51847,116
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 116
entity comp index.auth seq id: 117
entity comp index.comp id: ASN

1,51847,117
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 117
entity comp index.auth seq id: 118
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1,51847,118
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 118
entity comp index.auth seq id: 119
entity comp index.comp id: ASN

1,51847,119
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 1
entity comp index.entry id: 51847
entity comp index.id: 119
entity comp index.auth seq id: 120
entity comp index.comp id: LYS

2,51847,120
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 2
entity comp index.entry id: 51847
entity comp index.id: 120
entity comp index.auth seq id: 1
entity comp index.comp id: HEM
entity comp index.comp label: chem_comp_HEM

3,51847,121
type: entity comp index
of datablock: info:bmrb/51847
entity comp index.entity id: 3
entity comp index.entry id: 51847
entity comp index.id: 121
entity comp index.auth seq id: 1
entity comp index.comp id: CYN
entity comp index.comp label: chem_comp_CYN

1,51847,1
type: entity experimental src
of datablock: info:bmrb/51847
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 51847
entity experimental src.id: 1
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 1
entity experimental src.entity label: entity_1
entity experimental src.host org genus: Escherichia
entity experimental src.host org name common: E. coli
entity experimental src.host org ncbi taxonomy id: 562
entity experimental src.host org scientific name: Escherichia coli
entity experimental src.host org species: coli
entity experimental src.host org strain: BL21[DE3]
entity experimental src.production method: recombinant technology
entity experimental src.vector name: pJExpress414
entity experimental src.vector type: plasmid

info:taxonomy/562

taxonomy:562

1,51847,2
type: entity experimental src
of datablock: info:bmrb/51847
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 51847
entity experimental src.id: 2
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 2
entity experimental src.entity label: entity_HEM
entity experimental src.host org genus: Not applicable
entity experimental src.host org name common: unidentified
entity experimental src.host org scientific name: unidentified
entity experimental src.host org species: unidentified
entity experimental src.production method: obtained from a vendor
entity experimental src.vector type: plasmid

51847,1
type: entity experimental src list
of datablock: info:bmrb/51847
reference to entry: entry
entity experimental src list.entry id: 51847
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source_1

1,51847,1
type: entity natural src
of datablock: info:bmrb/51847
reference to entry: entry
entity natural src.entity natural src list id: 1
entity natural src.entry id: 51847
entity natural src.id: 1
entity natural src.citation id: 0
entity natural src.entity chimera segment id: 0
entity natural src.entity id: 1
entity natural src.entity label: entity_1
entity natural src.genus: Sus
entity natural src.kingdom: Metazoa
entity natural src.ncbi taxonomy id: 9823
entity natural src.organism name common: pig
entity natural src.organism name scientific: Sus scrofa
entity natural src.species: scrofa
entity natural src.superkingdom: Eukaryota
entity natural src.type: organism

info:taxonomy/9823

taxonomy:9823

51847,1
type: entity natural src list
of datablock: info:bmrb/51847
reference to entry: entry
entity natural src list.entry id: 51847
entity natural src list.id: 1
entity natural src list.sf category: natural_source
entity natural src list.sf framecode: natural_source_1

1,51847,1
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 1
entity poly seq.comp index id: 1
entity poly seq.mon id: SER

1,51847,2
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 2
entity poly seq.comp index id: 2
entity poly seq.mon id: SER

1,51847,3
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 3
entity poly seq.comp index id: 3
entity poly seq.mon id: LEU

1,51847,4
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 4
entity poly seq.comp index id: 4
entity poly seq.mon id: TYR

1,51847,5
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 5
entity poly seq.comp index id: 5
entity poly seq.mon id: GLU

1,51847,6
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 6
entity poly seq.comp index id: 6
entity poly seq.mon id: ARG

1,51847,7
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 7
entity poly seq.comp index id: 7
entity poly seq.mon id: ILE

1,51847,8
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 8
entity poly seq.comp index id: 8
entity poly seq.mon id: GLY

1,51847,9
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 9
entity poly seq.comp index id: 9
entity poly seq.mon id: GLY

1,51847,10
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 10
entity poly seq.comp index id: 10
entity poly seq.mon id: GLU

1,51847,11
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 11
entity poly seq.comp index id: 11
entity poly seq.mon id: GLU

1,51847,12
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 12
entity poly seq.comp index id: 12
entity poly seq.mon id: ALA

1,51847,13
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 13
entity poly seq.comp index id: 13
entity poly seq.mon id: VAL

1,51847,14
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 14
entity poly seq.comp index id: 14
entity poly seq.mon id: GLU

1,51847,15
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 15
entity poly seq.comp index id: 15
entity poly seq.mon id: ALA

1,51847,16
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 16
entity poly seq.comp index id: 16
entity poly seq.mon id: VAL

1,51847,17
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 17
entity poly seq.comp index id: 17
entity poly seq.mon id: VAL

1,51847,18
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 18
entity poly seq.comp index id: 18
entity poly seq.mon id: ASP

1,51847,19
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 19
entity poly seq.comp index id: 19
entity poly seq.mon id: ASP

1,51847,20
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 20
entity poly seq.comp index id: 20
entity poly seq.mon id: PHE

1,51847,21
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 21
entity poly seq.comp index id: 21
entity poly seq.mon id: TYR

1,51847,22
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 22
entity poly seq.comp index id: 22
entity poly seq.mon id: LYS

1,51847,23
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 23
entity poly seq.comp index id: 23
entity poly seq.mon id: ARG

1,51847,24
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 24
entity poly seq.comp index id: 24
entity poly seq.mon id: VAL

1,51847,25
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 25
entity poly seq.comp index id: 25
entity poly seq.mon id: LEU

1,51847,26
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 26
entity poly seq.comp index id: 26
entity poly seq.mon id: ALA

1,51847,27
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 27
entity poly seq.comp index id: 27
entity poly seq.mon id: ASP

1,51847,28
type: entity poly seq
of datablock: info:bmrb/51847
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entity poly seq.num: 28
entity poly seq.comp index id: 28
entity poly seq.mon id: ASP

1,51847,29
type: entity poly seq
of datablock: info:bmrb/51847
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entity poly seq.num: 29
entity poly seq.comp index id: 29
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1,51847,30
type: entity poly seq
of datablock: info:bmrb/51847
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entity poly seq.entry id: 51847
entity poly seq.num: 30
entity poly seq.comp index id: 30
entity poly seq.mon id: LEU

1,51847,31
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 31
entity poly seq.comp index id: 31
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1,51847,32
type: entity poly seq
of datablock: info:bmrb/51847
entity poly seq.entity id: 1
entity poly seq.entry id: 51847
entity poly seq.num: 32
entity poly seq.comp index id: 32
entity poly seq.mon id: PRO

1,51847,33
type: entity poly seq
of datablock: info:bmrb/51847
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entity poly seq.entry id: 51847
entity poly seq.num: 33
entity poly seq.comp index id: 33
entity poly seq.mon id: PHE

1,51847,34
type: entity poly seq
of datablock: info:bmrb/51847
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entity poly seq.entry id: 51847
entity poly seq.num: 34
entity poly seq.comp index id: 34
entity poly seq.mon id: PHE

1,51847,35
type: entity poly seq
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entity poly seq.entry id: 51847
entity poly seq.num: 35
entity poly seq.comp index id: 35
entity poly seq.mon id: GLU

1,51847,36
type: entity poly seq
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entity poly seq.entry id: 51847
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entity poly seq.comp index id: 36
entity poly seq.mon id: GLY

1,51847,37
type: entity poly seq
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entity poly seq.mon id: THR

1,51847,38
type: entity poly seq
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1,51847,39
type: entity poly seq
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entity poly seq.entry id: 51847
entity poly seq.num: 39
entity poly seq.comp index id: 39
entity poly seq.mon id: MET

1,51847,40
type: entity poly seq
of datablock: info:bmrb/51847
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entity poly seq.entry id: 51847
entity poly seq.num: 40
entity poly seq.comp index id: 40
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1,51847,41
type: entity poly seq
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entity poly seq.comp index id: 41
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1,51847,42
type: entity poly seq
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entity poly seq.entry id: 51847
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entity poly seq.comp index id: 42
entity poly seq.mon id: GLN

1,51847,43
type: entity poly seq
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1,51847,44
type: entity poly seq
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1,51847,45
type: entity poly seq
of datablock: info:bmrb/51847
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entity poly seq.entry id: 51847
entity poly seq.num: 45
entity poly seq.comp index id: 45
entity poly seq.mon id: HIS

1,51847,46
type: entity poly seq
of datablock: info:bmrb/51847
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entity poly seq.entry id: 51847
entity poly seq.num: 46
entity poly seq.comp index id: 46
entity poly seq.mon id: GLN

1,51847,47
type: entity poly seq
of datablock: info:bmrb/51847
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entity poly seq.num: 47
entity poly seq.comp index id: 47
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1,51847,48
type: entity poly seq
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1,51847,49
type: entity poly seq
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entity poly seq.comp index id: 49
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1,51847,50
type: entity poly seq
of datablock: info:bmrb/51847
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1,51847,51
type: entity poly seq
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1,51847,52
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1,51847,53
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1,51847,54
type: entity poly seq
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1,51847,55
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1,51847,56
type: entity poly seq
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1,51847,57
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1,51847,58
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1,51847,59
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1,51847,60
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1,51847,61
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1,51847,62
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1,51847,63
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1,51847,64
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1,51847,65
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entity poly seq.comp index id: 65
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1,51847,66
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http://bmrbpub.pdbj.org/rdf/bmr51847/entry/51847
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entry.id: 51847
entry.accession date: 2023-02-19Z
entry.details: Backbone chemical shift of a consensus hemoglobin in the cyanomet state
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2023-02-19Z
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entry.original nmr star version: 3.1
entry.original release date: 2023-02-19Z
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entry.title: cyanomet cGlbN
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related entries.relationship: cGlbN Fe3-bisHis

info:bmrb/51848

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info:bmrb/51849

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release.entry id: 51847
release.release number: 2
release.author: BMRB
release.date: 2023-08-09Z
release.detail: update entry citation
release.submission date: 2023-02-19Z
release.type: update

51847,1
type: release
of datablock: info:bmrb/51847
reference to entry: entry
release.entry id: 51847
release.release number: 1
release.author: author
release.date: 2023-06-28Z
release.detail: original release
release.submission date: 2023-02-19Z
release.type: original

51847,1
type: sample
of datablock: info:bmrb/51847
reference to entry: entry
sample.entry id: 51847
sample.id: 1
sample.aggregate sample number: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.details: pH 7.2
sample.name: sample_1
sample.sf category: sample
sample.sf framecode: sample_1
sample.solvent system: 90% H2O/10% D2O
sample.type: solution

51847,2
type: sample
of datablock: info:bmrb/51847
reference to entry: entry
sample.entry id: 51847
sample.id: 2
sample.aggregate sample number: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.details: pH* 7.0
sample.name: sample_2
sample.sf category: sample
sample.sf framecode: sample_2
sample.solvent system: 100% D2O
sample.type: solution

51847,1,1
type: sample component
of datablock: info:bmrb/51847
sample component.entry id: 51847
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 2
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: entity_1
sample component.isotopic labeling: [U-13C; U-15N]
sample component.mol common name: cGlbN

51847,2,1
type: sample component
of datablock: info:bmrb/51847
sample component.entry id: 51847
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 15
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: potassium phosphate

51847,3,1
type: sample component
of datablock: info:bmrb/51847
sample component.entry id: 51847
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 5
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: KCN

51847,4,2
type: sample component
of datablock: info:bmrb/51847
sample component.entry id: 51847
sample component.id: 4
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 1.4
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: entity_1
sample component.isotopic labeling: natural abundance
sample component.mol common name: cGlbN

51847,5,2
type: sample component
of datablock: info:bmrb/51847
sample component.entry id: 51847
sample component.id: 5
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 8
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: potassium phosphate

51847,6,2
type: sample component
of datablock: info:bmrb/51847
sample component.entry id: 51847
sample component.id: 6
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 7
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: KCN

51847,1
type: sample condition list
of datablock: info:bmrb/51847
reference to entry: entry
sample condition list.entry id: 51847
sample condition list.id: 1
sample condition list.name: conditions_1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

51847,2
type: sample condition list
of datablock: info:bmrb/51847
reference to entry: entry
sample condition list.entry id: 51847
sample condition list.id: 2
sample condition list.name: conditions_2
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_2

51847,1,ionic strength
type: sample condition variable
of datablock: info:bmrb/51847
sample condition variable.entry id: 51847
sample condition variable.sample condition list id: 1
sample condition variable.type: ionic strength
sample condition variable.val: 0.039
sample condition variable.val units: M

51847,1,pH
type: sample condition variable
of datablock: info:bmrb/51847
sample condition variable.entry id: 51847
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 7.2
sample condition variable.val units: pH

51847,1,pressure
type: sample condition variable
of datablock: info:bmrb/51847
sample condition variable.entry id: 51847
sample condition variable.sample condition list id: 1
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

51847,1,temperature
type: sample condition variable
of datablock: info:bmrb/51847
sample condition variable.entry id: 51847
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

51847,2,ionic strength
type: sample condition variable
of datablock: info:bmrb/51847
sample condition variable.entry id: 51847
sample condition variable.sample condition list id: 2
sample condition variable.type: ionic strength
sample condition variable.val: 0.022
sample condition variable.val units: M

51847,2,pH
type: sample condition variable
of datablock: info:bmrb/51847
sample condition variable.entry id: 51847
sample condition variable.sample condition list id: 2
sample condition variable.type: pH
sample condition variable.val: 7.0
sample condition variable.val units: pH

51847,2,pressure
type: sample condition variable
of datablock: info:bmrb/51847
sample condition variable.entry id: 51847
sample condition variable.sample condition list id: 2
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

51847,2,temperature
type: sample condition variable
of datablock: info:bmrb/51847
sample condition variable.entry id: 51847
sample condition variable.sample condition list id: 2
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

51847,1
type: software
of datablock: info:bmrb/51847
reference to entry: entry
software.entry id: 51847
software.id: 1
software.name: TOPSPIN
software.sf category: software
software.sf framecode: software_1

51847,2
type: software
of datablock: info:bmrb/51847
reference to entry: entry
software.entry id: 51847
software.id: 2
software.name: NMRPipe
software.sf category: software
software.sf framecode: software_2

51847,3
type: software
of datablock: info:bmrb/51847
reference to entry: entry
software.entry id: 51847
software.id: 3
software.name: CARA
software.sf category: software
software.sf framecode: software_3

51847,4
type: software
of datablock: info:bmrb/51847
reference to entry: entry
software.entry id: 51847
software.id: 4
software.name: SPARKY
software.sf category: software
software.sf framecode: software_4

51847,5
type: software
of datablock: info:bmrb/51847
reference to entry: entry
software.entry id: 51847
software.id: 5
software.name: CcpNMR
software.sf category: software
software.sf framecode: software_5

51847,3,chemical shift assignment
type: task
of datablock: info:bmrb/51847
task.entry id: 51847
task.software id: 3
task.task: chemical shift assignment

51847,4,chemical shift assignment
type: task
of datablock: info:bmrb/51847
task.entry id: 51847
task.software id: 4
task.task: chemical shift assignment

51847,5,chemical shift assignment
type: task
of datablock: info:bmrb/51847
task.entry id: 51847
task.software id: 5
task.task: chemical shift assignment

51847,1,collection
type: task
of datablock: info:bmrb/51847
task.entry id: 51847
task.software id: 1
task.task: collection

51847,3,data analysis
type: task
of datablock: info:bmrb/51847
task.entry id: 51847
task.software id: 3
task.task: data analysis

51847,4,data analysis
type: task
of datablock: info:bmrb/51847
task.entry id: 51847
task.software id: 4
task.task: data analysis

51847,5,data analysis
type: task
of datablock: info:bmrb/51847
task.entry id: 51847
task.software id: 5
task.task: data analysis

51847,2,processing
type: task
of datablock: info:bmrb/51847
task.entry id: 51847
task.software id: 2
task.task: processing