info:bmrb/52307
type: datablock
references: doi:10.13018/BMR52307
alternative label: bmr52307
title: Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with GNF-5
datablock name: 52307
has assembly category: assemblyCategory
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52307,1
type: assembly
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reference to entry: entry
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assembly.id: 1
assembly.ambiguous conformational states: yes
assembly.details: ABL1 regulatory core SH3-SH2-Kinase domain (83-534) in complex with GNF-5
assembly.enzyme commission number: 2.7.10.2
assembly.metal ions: 0
assembly.molecular mass: 51696.57
assembly.molecules in chemical exchange: no
assembly.name: SH3SH2KD(83-534) in complex with GNF-5
assembly.non standard bonds: no
assembly.number of components: 2
assembly.organic ligands: 1
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: assembly_1

info:ec-code/2.7.10.2

ec-code:2.7.10.2

1,GNF-5 allosterically inhibits the tyrosine kinase ABL1,52307
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assembly bio function.biological function: GNF-5 allosterically inhibits the tyrosine kinase ABL1
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1M52,1,PDB,52307
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assembly db link.author supplied: yes
assembly db link.entry experimental method: X-ray
assembly db link.entry relation type: Abl kinase domain in complex with PD173955
assembly db link.entry structure resolution: 2.60

info:pdb/1M52

pdb:1M52

2FO0,1,PDB,52307
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info:pdb/2FO0

pdb:2FO0

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assembly db link.entry experimental method: X-ray
assembly db link.entry relation type: Abl kinase domain in complex with imatinib
assembly db link.entry structure resolution: 2.40

info:pdb/2HYY

pdb:2HYY

1,52307,1
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assembly interaction.mol interaction type: Extremely slow exchange

52307,1
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1,52307,3
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1,52307,11
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1,52307,12
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1,52307,13
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1,52307,14
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1,52307,15
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1,52307,16
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1,52307,17
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1,52307,18
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1,52307,19
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1,52307,20
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1,52307,32
type: atom chem shift
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1,52307,33
type: atom chem shift
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1,52307,34
type: atom chem shift
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1,52307,35
type: atom chem shift
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1,52307,36
type: atom chem shift
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1,52307,37
type: atom chem shift
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1,52307,38
type: atom chem shift
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1,52307,39
type: atom chem shift
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1,52307,40
type: atom chem shift
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1,52307,41
type: atom chem shift
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1,52307,42
type: atom chem shift
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1,52307,43
type: atom chem shift
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1,52307,44
type: atom chem shift
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1,52307,45
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1,52307,46
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1,52307,47
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1,52307,48
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1,52307,49
type: atom chem shift
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1,52307,50
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1,52307,51
type: atom chem shift
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1,52307,52
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1,52307,53
type: atom chem shift
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1,52307,54
type: atom chem shift
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1,52307,55
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1,52307,56
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1,52307,57
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1,52307,58
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1,52307,59
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1,52307,60
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1,52307,61
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1,52307,62
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1,52307,63
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1,52307,64
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1,52307,65
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1,52307,66
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1,52307,67
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1,52307,68
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1,52307,69
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1,52307,70
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLN
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: 120.128

1,52307,71
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 71
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 8.686

1,52307,72
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 72
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atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.auth atom id: N
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 112.862

1,52307,73
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 73
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 8.908

1,52307,74
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 74
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
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atom chem shift.val: 121.537

1,52307,75
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
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atom chem shift.val: 9.646

1,52307,76
type: atom chem shift
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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
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atom chem shift.comp id: VAL
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 115.721

1,52307,77
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: SER
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atom chem shift.val: 8.442

1,52307,78
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 78
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atom chem shift.comp id: SER
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 121.412

1,52307,79
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.291

1,52307,80
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
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atom chem shift.val: 113.869

1,52307,81
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 54
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atom chem shift.val: 7.849

1,52307,82
type: atom chem shift
of datablock: info:bmrb/52307
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: TYR
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atom chem shift.comp id: TYR
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 119.317

1,52307,83
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.336

1,52307,84
type: atom chem shift
of datablock: info:bmrb/52307
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.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 111.966

1,52307,85
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.572

1,52307,86
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: THR
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atom chem shift.val: 115.571

1,52307,87
type: atom chem shift
of datablock: info:bmrb/52307
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atom chem shift.val: 6.405

1,52307,88
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: TRP
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atom chem shift.val: 110.836

1,52307,89
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.787

1,52307,90
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,91
type: atom chem shift
of datablock: info:bmrb/52307
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atom chem shift.val: 5.889

1,52307,92
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,93
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,94
type: atom chem shift
of datablock: info:bmrb/52307
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atom chem shift.id: 94
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atom chem shift.assembly atom id: 0
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1,52307,95
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,96
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,97
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,98
type: atom chem shift
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1,52307,99
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,100
type: atom chem shift
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1,52307,101
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,102
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,103
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,104
type: atom chem shift
of datablock: info:bmrb/52307
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atom chem shift.entry id: 52307
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1,52307,105
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,106
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atom chem shift.comp id: GLY
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1,52307,107
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1,52307,108
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1,52307,109
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1,52307,111
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1,52307,113
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1,52307,115
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1,52307,116
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1,52307,117
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1,52307,118
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1,52307,119
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1,52307,120
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1,52307,121
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1,52307,122
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1,52307,123
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1,52307,124
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1,52307,125
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1,52307,126
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1,52307,127
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1,52307,128
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1,52307,129
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1,52307,130
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1,52307,131
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1,52307,133
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1,52307,134
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1,52307,135
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1,52307,138
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1,52307,139
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1,52307,140
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1,52307,141
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1,52307,142
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1,52307,143
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atom chem shift.val: 122.098

1,52307,147
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.802

1,52307,148
type: atom chem shift
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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.comp index id: 114
atom chem shift.entity assembly id: 1
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atom chem shift.val: 125.645

1,52307,149
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.281

1,52307,150
type: atom chem shift
of datablock: info:bmrb/52307
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.entity assembly id: 1
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atom chem shift.val: 123.218

1,52307,151
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.760

1,52307,152
type: atom chem shift
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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.entity assembly id: 1
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atom chem shift.val: 128.974

1,52307,153
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,154
type: atom chem shift
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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.entity assembly id: 1
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atom chem shift.val: 114.520

1,52307,155
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.669

1,52307,156
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 130.108

1,52307,157
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.813

1,52307,158
type: atom chem shift
of datablock: info:bmrb/52307
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.entity assembly id: 1
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atom chem shift.val: 118.557

1,52307,159
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.133

1,52307,160
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,161
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,162
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,163
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,164
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,165
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1,52307,166
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atom chem shift.assigned chem shift list id: 1
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1,52307,167
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,168
type: atom chem shift
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1,52307,169
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1,52307,170
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1,52307,171
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1,52307,172
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1,52307,173
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1,52307,174
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1,52307,175
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1,52307,176
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1,52307,177
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1,52307,178
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1,52307,179
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1,52307,180
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1,52307,181
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1,52307,182
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1,52307,183
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1,52307,184
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 140
atom chem shift.entity assembly id: 1
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atom chem shift.val: 121.221

1,52307,185
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 185
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: 141
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 7.700

1,52307,186
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 186
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: 221
atom chem shift.comp id: HIS
atom chem shift.comp index id: 141
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 141
atom chem shift.val: 115.980

1,52307,187
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 187
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
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atom chem shift.comp id: SER
atom chem shift.comp index id: 142
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 142
atom chem shift.val: 7.565

1,52307,188
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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: SER
atom chem shift.auth seq id: 222
atom chem shift.comp id: SER
atom chem shift.comp index id: 142
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 142
atom chem shift.val: 116.052

1,52307,189
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 189
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 144
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 7.629

1,52307,190
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 190
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
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 144
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 121.506

1,52307,191
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 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: 145
atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.252

1,52307,192
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 192
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.atom type: N
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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: 145
atom chem shift.entity assembly id: 1
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atom chem shift.val: 128.331

1,52307,193
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 193
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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: ASP
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 146
atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.334

1,52307,194
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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: ASP
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 146
atom chem shift.entity assembly id: 1
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atom chem shift.val: 116.914

1,52307,195
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 195
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: 147
atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.190

1,52307,196
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 196
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
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 147
atom chem shift.entity assembly id: 1
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atom chem shift.val: 105.907

1,52307,197
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.auth comp id: LEU
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atom chem shift.comp index id: 148
atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.247

1,52307,198
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 198
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: 148
atom chem shift.entity assembly id: 1
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atom chem shift.val: 120.206

1,52307,199
type: atom chem shift
of datablock: info:bmrb/52307
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.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.111

1,52307,200
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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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: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 149
atom chem shift.entity assembly id: 1
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atom chem shift.val: 118.816

1,52307,201
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.auth comp id: THR
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atom chem shift.comp id: THR
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 6.764

1,52307,202
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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atom chem shift.assembly atom id: 0
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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: 150
atom chem shift.entity assembly id: 1
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atom chem shift.val: 111.713

1,52307,203
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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atom chem shift.comp id: THR
atom chem shift.comp index id: 151
atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.248

1,52307,204
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: THR
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atom chem shift.comp id: THR
atom chem shift.comp index id: 151
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atom chem shift.val: 107.055

1,52307,205
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,206
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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1,52307,207
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,208
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atom chem shift.comp id: HIS
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1,52307,209
type: atom chem shift
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1,52307,210
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ALA
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1,52307,211
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,212
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
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1,52307,213
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,214
type: atom chem shift
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1,52307,215
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1,52307,216
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1,52307,217
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1,52307,218
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1,52307,219
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1,52307,220
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1,52307,221
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1,52307,222
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1,52307,223
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.779

1,52307,224
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: SER
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 115.427

1,52307,225
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,226
type: atom chem shift
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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: 120.190

1,52307,227
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,228
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,229
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,230
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,231
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,232
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,233
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,234
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,235
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,236
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,237
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,238
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,239
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,240
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,241
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,52307,242
type: atom chem shift
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1,52307,243
type: atom chem shift
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1,52307,244
type: atom chem shift
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1,52307,245
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1,52307,246
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1,52307,247
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1,52307,248
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1,52307,249
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1,52307,250
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1,52307,251
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1,52307,252
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1,52307,253
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1,52307,254
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1,52307,255
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1,52307,256
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1,52307,257
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1,52307,258
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1,52307,259
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1,52307,260
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1,52307,261
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.auth comp id: GLU
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 273
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 273
atom chem shift.val: 7.215

1,52307,262
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 262
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 seq id: 353
atom chem shift.comp id: GLU
atom chem shift.comp index id: 273
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 273
atom chem shift.val: 119.169

1,52307,263
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 263
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atom chem shift.assembly atom id: 0
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atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 274
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 274
atom chem shift.val: 8.398

1,52307,264
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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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: 354
atom chem shift.comp id: VAL
atom chem shift.comp index id: 274
atom chem shift.entity assembly id: 1
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atom chem shift.val: 123.173

1,52307,265
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 275
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atom chem shift.val: 6.723

1,52307,266
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 275
atom chem shift.entity assembly id: 1
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atom chem shift.val: 120.515

1,52307,267
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ALA
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atom chem shift.val: 9.065

1,52307,268
type: atom chem shift
of datablock: info:bmrb/52307
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.comp id: ALA
atom chem shift.comp index id: 276
atom chem shift.entity assembly id: 1
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atom chem shift.val: 119.544

1,52307,269
type: atom chem shift
of datablock: info:bmrb/52307
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.comp id: VAL
atom chem shift.comp index id: 277
atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.332

1,52307,270
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 15
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atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 277
atom chem shift.entity assembly id: 1
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atom chem shift.val: 115.404

1,52307,271
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 278
atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.469

1,52307,272
type: atom chem shift
of datablock: info:bmrb/52307
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.atom isotope number: 15
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atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 278
atom chem shift.entity assembly id: 1
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atom chem shift.val: 122.661

1,52307,273
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.463

1,52307,274
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 120.384

1,52307,275
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.332

1,52307,276
type: atom chem shift
of datablock: info:bmrb/52307
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.comp id: TYR
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 122.359

1,52307,277
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.419

1,52307,278
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 117.796

1,52307,279
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 10.631

1,52307,280
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 127.135

1,52307,281
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,282
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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1,52307,283
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,284
type: atom chem shift
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1,52307,285
type: atom chem shift
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1,52307,286
type: atom chem shift
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1,52307,287
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1,52307,288
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ARG
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1,52307,289
type: atom chem shift
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1,52307,290
type: atom chem shift
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1,52307,291
type: atom chem shift
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1,52307,292
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1,52307,293
type: atom chem shift
of datablock: info:bmrb/52307
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1,52307,294
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
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1,52307,295
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1,52307,296
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1,52307,297
type: atom chem shift
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1,52307,298
type: atom chem shift
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atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
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1,52307,299
type: atom chem shift
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1,52307,300
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1,52307,301
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1,52307,302
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1,52307,303
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1,52307,304
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1,52307,305
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1,52307,306
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1,52307,307
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1,52307,308
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1,52307,309
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1,52307,310
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1,52307,311
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1,52307,312
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1,52307,313
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1,52307,314
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1,52307,315
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1,52307,316
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1,52307,317
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1,52307,318
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1,52307,319
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1,52307,321
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1,52307,322
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1,52307,323
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1,52307,326
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1,52307,329
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1,52307,330
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atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 465
atom chem shift.comp id: SER
atom chem shift.comp index id: 385
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 385
atom chem shift.val: 8.464

1,52307,338
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 338
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: 465
atom chem shift.comp id: SER
atom chem shift.comp index id: 385
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 385
atom chem shift.val: 113.166

1,52307,339
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 339
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: 466
atom chem shift.comp id: GLN
atom chem shift.comp index id: 386
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 386
atom chem shift.val: 7.909

1,52307,340
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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: GLN
atom chem shift.auth seq id: 466
atom chem shift.comp id: GLN
atom chem shift.comp index id: 386
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 386
atom chem shift.val: 120.317

1,52307,341
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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: VAL
atom chem shift.auth seq id: 467
atom chem shift.comp id: VAL
atom chem shift.comp index id: 387
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 387
atom chem shift.val: 6.905

1,52307,342
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 342
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: 467
atom chem shift.comp id: VAL
atom chem shift.comp index id: 387
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 387
atom chem shift.val: 119.605

1,52307,343
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 343
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: 468
atom chem shift.comp id: TYR
atom chem shift.comp index id: 388
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 388
atom chem shift.val: 8.675

1,52307,344
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 344
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: 468
atom chem shift.comp id: TYR
atom chem shift.comp index id: 388
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 388
atom chem shift.val: 120.228

1,52307,345
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 345
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: 469
atom chem shift.comp id: GLU
atom chem shift.comp index id: 389
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 389
atom chem shift.val: 8.221

1,52307,346
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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: GLU
atom chem shift.auth seq id: 469
atom chem shift.comp id: GLU
atom chem shift.comp index id: 389
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 389
atom chem shift.val: 118.101

1,52307,347
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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: LEU
atom chem shift.auth seq id: 471
atom chem shift.comp id: LEU
atom chem shift.comp index id: 391
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 391
atom chem shift.val: 8.553

1,52307,348
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 348
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: 471
atom chem shift.comp id: LEU
atom chem shift.comp index id: 391
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 391
atom chem shift.val: 121.078

1,52307,349
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 349
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: 472
atom chem shift.comp id: GLU
atom chem shift.comp index id: 392
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 392
atom chem shift.val: 8.602

1,52307,350
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 350
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: 472
atom chem shift.comp id: GLU
atom chem shift.comp index id: 392
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 392
atom chem shift.val: 123.460

1,52307,351
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 351
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: 473
atom chem shift.comp id: LYS
atom chem shift.comp index id: 393
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 393
atom chem shift.val: 7.216

1,52307,352
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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: LYS
atom chem shift.auth seq id: 473
atom chem shift.comp id: LYS
atom chem shift.comp index id: 393
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 393
atom chem shift.val: 118.715

1,52307,353
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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: ASP
atom chem shift.auth seq id: 474
atom chem shift.comp id: ASP
atom chem shift.comp index id: 394
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 394
atom chem shift.val: 7.684

1,52307,354
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 354
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: 474
atom chem shift.comp id: ASP
atom chem shift.comp index id: 394
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 394
atom chem shift.val: 113.266

1,52307,355
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 355
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: 475
atom chem shift.comp id: TYR
atom chem shift.comp index id: 395
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 395
atom chem shift.val: 8.101

1,52307,356
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 356
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: 475
atom chem shift.comp id: TYR
atom chem shift.comp index id: 395
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 395
atom chem shift.val: 121.472

1,52307,357
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 357
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: 476
atom chem shift.comp id: ARG
atom chem shift.comp index id: 396
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 396
atom chem shift.val: 6.853

1,52307,358
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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: 476
atom chem shift.comp id: ARG
atom chem shift.comp index id: 396
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 396
atom chem shift.val: 125.943

1,52307,359
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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: MET
atom chem shift.auth seq id: 477
atom chem shift.comp id: MET
atom chem shift.comp index id: 397
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 397
atom chem shift.val: 7.237

1,52307,360
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 360
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: 477
atom chem shift.comp id: MET
atom chem shift.comp index id: 397
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 397
atom chem shift.val: 117.073

1,52307,361
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 361
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: GLU
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 398
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 398
atom chem shift.val: 8.624

1,52307,362
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 362
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: 478
atom chem shift.comp id: GLU
atom chem shift.comp index id: 398
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 398
atom chem shift.val: 120.847

1,52307,363
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 363
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
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 399
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 399
atom chem shift.val: 8.305

1,52307,364
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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
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atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 479
atom chem shift.comp id: ARG
atom chem shift.comp index id: 399
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 399
atom chem shift.val: 125.138

1,52307,365
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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: VAL
atom chem shift.auth seq id: 487
atom chem shift.comp id: VAL
atom chem shift.comp index id: 407
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 407
atom chem shift.val: 7.036

1,52307,366
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 366
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: 487
atom chem shift.comp id: VAL
atom chem shift.comp index id: 407
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 407
atom chem shift.val: 117.128

1,52307,367
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 367
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atom chem shift.atom type: H
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atom chem shift.auth comp id: TYR
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 408
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 408
atom chem shift.val: 7.714

1,52307,368
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 368
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
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 408
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 408
atom chem shift.val: 122.529

1,52307,369
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 369
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atom chem shift.atom type: H
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 410
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atom chem shift.entity id: 1
atom chem shift.seq id: 410
atom chem shift.val: 6.891

1,52307,370
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 370
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
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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: 410
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 121.976

1,52307,371
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 371
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: ALA
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 413
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 413
atom chem shift.val: 7.617

1,52307,372
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 372
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: 493
atom chem shift.comp id: ALA
atom chem shift.comp index id: 413
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 413
atom chem shift.val: 124.886

1,52307,373
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 373
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLN
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 416
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 416
atom chem shift.val: 6.958

1,52307,374
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 374
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: 496
atom chem shift.comp id: GLN
atom chem shift.comp index id: 416
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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1,52307,375
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
atom chem shift.id: 375
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: TRP
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1,52307,376
type: atom chem shift
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atom chem shift.val: 125.757

1,52307,377
type: atom chem shift
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1,52307,378
type: atom chem shift
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atom chem shift.val: 116.897

1,52307,379
type: atom chem shift
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1,52307,380
type: atom chem shift
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1,52307,381
type: atom chem shift
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1,52307,382
type: atom chem shift
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1,52307,383
type: atom chem shift
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1,52307,384
type: atom chem shift
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1,52307,385
type: atom chem shift
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1,52307,386
type: atom chem shift
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1,52307,387
type: atom chem shift
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1,52307,388
type: atom chem shift
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1,52307,389
type: atom chem shift
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atom chem shift.val: 8.945

1,52307,390
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,391
type: atom chem shift
of datablock: info:bmrb/52307
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atom chem shift.val: 7.830

1,52307,392
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 52307
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atom chem shift.val: 119.738

1,52307,393
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,394
type: atom chem shift
of datablock: info:bmrb/52307
atom chem shift.assigned chem shift list id: 1
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1,52307,395
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of datablock: info:bmrb/52307
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1,52307,396
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atom chem shift.val: 116.826

1,52307,397
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of datablock: info:bmrb/52307
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1,52307,398
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of datablock: info:bmrb/52307
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1,52307,399
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1,52307,400
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1,52307,401
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1,52307,402
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1,52307,403
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1,52307,404
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1,52307,405
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1,52307,406
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1,52307,407
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1,52307,408
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52307,1
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chem comp.aromatic: yes
chem comp.details: SMILES: C1=CC(=CC(=C1)C(=O)NCCO)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F CAS No. 778277-15-9
chem comp.formula: C20H17F3N4O3
chem comp.formula weight: 418.37
chem comp.name: GNF-5
chem comp.paramagnetic: no
chem comp.provenance: na
chem comp.sf category: chem_comp
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15,N,1,52307,water
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1,52307,1
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52307,1
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citation.entry id: 52307
citation.id: 1
citation.class: entry citation
citation.doi: 10.7554/eLife.92324
citation.journal abbrev: Elife
citation.journal name full: eLife
citation.journal volume: 12
citation.page first: 92324
citation.page last: 92324
citation.pubmed id: 38588001
citation.sf category: citations
citation.sf framecode: citations_1
citation.status: published
citation.title: The molecular basis of Abelson kinase regulation by its αI-helix.
citation.type: journal
citation.year: 2024

info:doi/10.7554/eLife.92324

doi:10.7554/eLife.92324

info:pmid/38588001

pubmed:38588001

1,52307,1
type: citation author
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citation author.ordinal: 1
citation author.family name: Paladini
citation author.given name: Johannes
citation author.pdbx name: Paladini, J.

1,52307,2
type: citation author
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citation author.citation id: 1
citation author.entry id: 52307
citation author.ordinal: 2
citation author.family name: Maier
citation author.given name: Annalena
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1,52307,3
type: citation author
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citation author.ordinal: 3
citation author.family name: Habazettl
citation author.given name: Judith
citation author.middle initials: M.
citation author.pdbx name: Habazettl, J.M.

1,52307,4
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citation author.family name: Hertel
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1,52307,5
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citation author.family name: Sonti
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citation author.ordinal: 6
citation author.family name: Grzesiek
citation author.given name: Stephan
citation author.pdbx name: Grzesiek, S.

1,52307,Abelson tyrosine kinase, cancer, chronic myelogenous leukemia
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citation keyword.entry id: 52307
citation keyword.keyword: Abelson tyrosine kinase, cancer, chronic myelogenous leukemia, allosteric activation, aI-helix, asciminib, NMR

52307,assigned chemical shifts
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52307,15N chemical shifts
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52307,1H chemical shifts
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52307,1
type: entity
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entity.entry id: 52307
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.ec number: 2.7.10.2
entity.formula weight: 51695.93
entity.fragment: ABL1 SH3-SH2-Kinase Domain (residues 83-534, isoform 1b)
entity.name: entity 1
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.number of monomers: 454
entity.paramagnetic: no
entity.parent entity id: 1
entity.polymer author seq details: first two amino acids (GP) from cleavage site
entity.polymer seq one letter code: GPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKQGV
entity.polymer seq one letter code can: GPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNSLEKHSWYHGPVSRNAAEYLLSSGINGSFLVRESESSPGQRSISLRYEGRVYHYRINTASDGKLYVSSESRFNTLAELVHHHSTVADGLITTLHYPAPKRNKPTVYGVSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIITEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGKQGV
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: entity_1
entity.thiol state: all free
entity.type: polymer

52307,2
type: entity
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entity.entry id: 52307
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entity.ambiguous conformational states: no
entity.name: entity 2
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entity.nonpolymer comp label: chem_comp_1
entity.nstd chirality: no
entity.nstd linkage: no
entity.paramagnetic: no
entity.parent entity id: 2
entity.sf category: entity
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entity.thiol state: not present
entity.type: non-polymer

1,52307,1
type: entity assembly
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entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: SH3SH2KD
entity assembly.entity id: 1
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entity assembly.experimental data reported: yes
entity assembly.physical state: native

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type: entity assembly
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entity assembly.entity assembly name: GNF-5
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entity assembly.entity label: entity_2
entity assembly.experimental data reported: no
entity assembly.physical state: native
entity assembly.role: allosteric inhibitor of ABL1

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Cell adhesion,1,52307
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Apoptosis,1,52307
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DNA damage,1,52307
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DNA repair,1,52307
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DNA-binding,1,52307
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Endocytosis,1,52307
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Kinase,1,52307
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Transferase,1,52307
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Tyrosine-protein kinase,1,52307
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P00519,SP,1,52307
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info:uniprot/P00519

uniprot:P00519

1,52307,1
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entity experimental src.host org genus: Escherichia
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entity experimental src.host org species: coli
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info:taxonomy/562

taxonomy:562

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entity natural src.kingdom: Metazoa
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entity natural src.organism name common: human
entity natural src.organism name scientific: Homo sapiens
entity natural src.species: sapiens
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info:taxonomy/9606

taxonomy:9606

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entry.accession date: 2024-02-04Z
entry.experimental method: NMR
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entry.title: Abl 1b isoform wild type SH3-SH2-KD (aa 83-534) in complex with GNF-5
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