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type: datablock
references: doi:10.13018/BMR27987
alternative label: bmr27987
title: Backbone, side chain and heme resonance assignment of the triheme cytochrome PpcA from Geobacter metallireducens in the oxidized state
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atom chem shift.auth atom id: CB
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atom chem shift.comp id: LEU
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: 46.673
atom chem shift.val err: 0.040

1,27987,34
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 34
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LEU
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: 29.484
atom chem shift.val err: 0.005

1,27987,35
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 35
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LEU
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: 24.851
atom chem shift.val err: 0.026

1,27987,36
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 36
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atom chem shift.comp id: LEU
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: 26.675
atom chem shift.val err: 0.023

1,27987,37
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 37
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: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 125.501
atom chem shift.val err: 0.009

1,27987,38
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 38
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atom chem shift.comp id: THR
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: 8.912
atom chem shift.val err: 0.002

1,27987,39
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 39
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atom chem shift.comp id: THR
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: 5.230
atom chem shift.val err: 0.001

1,27987,40
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 40
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.comp id: THR
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: 4.254
atom chem shift.val err: 0.003

1,27987,41
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 41
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: THR
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 1.559
atom chem shift.val err: 0.002

1,27987,42
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 42
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: THR
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 1.559
atom chem shift.val err: 0.002

1,27987,43
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 43
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 5
atom chem shift.val: 1.559
atom chem shift.val err: 0.002

1,27987,44
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 44
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 5
atom chem shift.val: 62.341
atom chem shift.val err: 0.077

1,27987,45
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 45
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 5
atom chem shift.val: 70.682
atom chem shift.val err: 0.032

1,27987,46
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 46
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atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 5
atom chem shift.val: 22.060
atom chem shift.val err: 0.017

1,27987,47
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 47
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: THR
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 5
atom chem shift.val: 118.018
atom chem shift.val err: 0.017

1,27987,48
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PHE
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 6
atom chem shift.val: 9.581
atom chem shift.val err: 0.002

1,27987,49
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.seq id: 6
atom chem shift.val: 5.134
atom chem shift.val err: 0.001

1,27987,50
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 50
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: PHE
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: 2.736
atom chem shift.val err: 0.002

1,27987,51
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 51
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atom chem shift.comp index id: 6
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atom chem shift.seq id: 6
atom chem shift.val: 3.101
atom chem shift.val err: 0.001

1,27987,52
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 52
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atom chem shift.comp index id: 6
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atom chem shift.seq id: 6
atom chem shift.val: 6.487
atom chem shift.val err: 0.002

1,27987,53
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 53
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atom chem shift.comp id: PHE
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: 5.821
atom chem shift.val err: 0.018

1,27987,54
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.val: 5.192
atom chem shift.val err: 0.000

1,27987,55
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.val: 54.976
atom chem shift.val err: 0.016

1,27987,56
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 39.456
atom chem shift.val err: 0.016

1,27987,57
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.val: 130.680
atom chem shift.val err: 0.092

1,27987,58
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.val: 130.581
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1,27987,59
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 128.213
atom chem shift.val err: 0.000

1,27987,60
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 6
atom chem shift.comp id: PHE
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: 128.311
atom chem shift.val err: 0.011

1,27987,61
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
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: 8.947
atom chem shift.val err: 0.001

1,27987,62
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 7
atom chem shift.val: 5.148
atom chem shift.val err: 0.000

1,27987,63
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 7
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atom chem shift.val: 1.845
atom chem shift.val err: 0.001

1,27987,64
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.940
atom chem shift.val err: 0.001

1,27987,65
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.val: 1.725
atom chem shift.val err: 0.001

1,27987,66
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,67
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.894
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1,27987,68
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.164
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1,27987,69
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val: 3.259
atom chem shift.val err: 0.000

1,27987,70
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 56.144
atom chem shift.val err: 0.030

1,27987,71
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 32.132
atom chem shift.val err: 0.027

1,27987,72
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 24.625
atom chem shift.val err: 0.022

1,27987,73
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,74
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.037

1,27987,75
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 7
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atom chem shift.val: 125.827
atom chem shift.val err: 0.026

1,27987,76
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.852
atom chem shift.val err: 0.001

1,27987,77
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.003

1,27987,78
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.001

1,27987,79
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,80
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,81
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,82
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,83
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 124.714
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1,27987,84
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,85
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,86
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of datablock: info:bmrb/27987
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1,27987,87
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of datablock: info:bmrb/27987
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1,27987,88
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,89
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of datablock: info:bmrb/27987
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1,27987,90
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of datablock: info:bmrb/27987
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1,27987,91
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of datablock: info:bmrb/27987
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1,27987,92
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of datablock: info:bmrb/27987
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1,27987,93
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,94
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of datablock: info:bmrb/27987
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1,27987,95
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,96
type: atom chem shift
of datablock: info:bmrb/27987
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type: atom chem shift
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1,27987,98
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,99
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,100
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1,27987,101
type: atom chem shift
of datablock: info:bmrb/27987
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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: ASN
atom chem shift.auth seq id: 10
atom chem shift.comp id: ASN
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: 114.834
atom chem shift.val err: 0.025

1,27987,106
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 106
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: HN
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 11
atom chem shift.comp id: GLY
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: 9.729
atom chem shift.val err: 0.002

1,27987,107
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 107
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA1
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 11
atom chem shift.comp id: GLY
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: 5.466
atom chem shift.val err: 0.001

1,27987,108
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 108
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA2
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 11
atom chem shift.comp id: GLY
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 7.128
atom chem shift.val err: 0.002

1,27987,109
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 109
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 11
atom chem shift.comp id: GLY
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: 47.812
atom chem shift.val err: 0.004

1,27987,110
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 110
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: 11
atom chem shift.comp id: GLY
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: 113.405
atom chem shift.val err: 0.024

1,27987,111
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 111
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: HN
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 12
atom chem shift.comp id: ASP
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 10.326
atom chem shift.val err: 0.001

1,27987,112
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 112
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: 12
atom chem shift.comp id: ASP
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 7.116
atom chem shift.val err: 0.000

1,27987,113
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 113
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 12
atom chem shift.comp id: ASP
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 3.552
atom chem shift.val err: 0.002

1,27987,114
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 114
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 12
atom chem shift.comp id: ASP
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 3.894
atom chem shift.val err: 0.000

1,27987,115
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 115
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 12
atom chem shift.comp id: ASP
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 57.979
atom chem shift.val err: 0.020

1,27987,116
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 116
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: 12
atom chem shift.comp id: ASP
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 42.479
atom chem shift.val err: 0.031

1,27987,117
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 117
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: 12
atom chem shift.comp id: ASP
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 133.360
atom chem shift.val err: 0.008

1,27987,118
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 118
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: HN
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 13
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: 10.712
atom chem shift.val err: 0.002

1,27987,119
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 119
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: 13
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: 6.659
atom chem shift.val err: 0.000

1,27987,120
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 120
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 13
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: 3.151
atom chem shift.val err: 0.000

1,27987,121
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 121
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 13
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: 0.804
atom chem shift.val err: 0.000

1,27987,122
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 122
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 13
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: 0.804
atom chem shift.val err: 0.000

1,27987,123
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 123
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 13
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: 0.804
atom chem shift.val err: 0.000

1,27987,124
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 124
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 13
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: 5.978
atom chem shift.val err: 0.002

1,27987,125
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 125
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 13
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: 5.978
atom chem shift.val err: 0.002

1,27987,126
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 126
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 13
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: 5.978
atom chem shift.val err: 0.002

1,27987,127
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 127
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: 13
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: 62.192
atom chem shift.val err: 0.042

1,27987,128
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 128
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: 13
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: 36.505
atom chem shift.val err: 0.010

1,27987,129
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 129
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 13
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: 21.479
atom chem shift.val err: 0.030

1,27987,130
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 130
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 13
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: 22.345
atom chem shift.val err: 0.031

1,27987,131
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 131
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: 13
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: 121.810
atom chem shift.val err: 0.048

1,27987,132
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 132
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: HN
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 14
atom chem shift.comp id: LYS
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: 9.718
atom chem shift.val err: 0.001

1,27987,133
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 133
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: 14
atom chem shift.comp id: LYS
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: 5.159
atom chem shift.val err: 0.001

1,27987,134
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 134
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 14
atom chem shift.comp id: LYS
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: 2.160
atom chem shift.val err: 0.000

1,27987,135
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 135
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 14
atom chem shift.comp id: LYS
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: 2.188
atom chem shift.val err: 0.000

1,27987,136
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 136
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 14
atom chem shift.comp id: LYS
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: 1.907
atom chem shift.val err: 0.001

1,27987,137
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 137
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 14
atom chem shift.comp id: LYS
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: 2.029
atom chem shift.val err: 0.000

1,27987,138
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 138
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 14
atom chem shift.comp id: LYS
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: 2.063
atom chem shift.val err: 0.000

1,27987,139
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 139
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 14
atom chem shift.comp id: LYS
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: 2.121
atom chem shift.val err: 0.000

1,27987,140
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 140
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 14
atom chem shift.comp id: LYS
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: 3.386
atom chem shift.val err: 0.000

1,27987,141
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 141
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.comp id: LYS
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 14
atom chem shift.val: 56.894
atom chem shift.val err: 0.019

1,27987,142
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 14
atom chem shift.val: 33.051
atom chem shift.val err: 0.033

1,27987,143
type: atom chem shift
of datablock: info:bmrb/27987
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: 14
atom chem shift.val: 25.363
atom chem shift.val err: 0.033

1,27987,144
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 14
atom chem shift.val: 29.274
atom chem shift.val err: 0.031

1,27987,145
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 14
atom chem shift.val: 42.349
atom chem shift.val err: 0.003

1,27987,146
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 14
atom chem shift.entity assembly id: 1
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atom chem shift.val: 129.577
atom chem shift.val err: 0.022

1,27987,147
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
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atom chem shift.val: 9.772
atom chem shift.val err: 0.001

1,27987,148
type: atom chem shift
of datablock: info:bmrb/27987
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: 5.819
atom chem shift.val err: 0.001

1,27987,149
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 15
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atom chem shift.val: 2.962
atom chem shift.val err: 0.001

1,27987,150
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.473
atom chem shift.val err: 0.001

1,27987,151
type: atom chem shift
of datablock: info:bmrb/27987
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: 15
atom chem shift.val: 52.696
atom chem shift.val err: 0.035

1,27987,152
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 15
atom chem shift.entity assembly id: 1
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atom chem shift.val: 43.156
atom chem shift.val err: 0.018

1,27987,153
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 122.407
atom chem shift.val err: 0.012

1,27987,154
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 6.899
atom chem shift.val err: 0.001

1,27987,155
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,156
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.192
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1,27987,157
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,158
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,159
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.151
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1,27987,160
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,161
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 64.071
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1,27987,162
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,163
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,164
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,165
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,166
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,167
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,168
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,169
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,170
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,171
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,172
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,173
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,174
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,175
type: atom chem shift
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1,27987,176
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1,27987,177
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atom chem shift.val: 2.943
atom chem shift.val err: 0.002

1,27987,178
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.031
atom chem shift.val err: 0.001

1,27987,179
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.895
atom chem shift.val err: 0.002

1,27987,180
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 62.943
atom chem shift.val err: 0.023

1,27987,181
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 33.514
atom chem shift.val err: 0.036

1,27987,182
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,183
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 30.005
atom chem shift.val err: 0.022

1,27987,184
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 43.092
atom chem shift.val err: 0.036

1,27987,185
type: atom chem shift
of datablock: info:bmrb/27987
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: 127.202
atom chem shift.val err: 0.053

1,27987,186
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 10.947
atom chem shift.val err: 0.001

1,27987,187
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.536
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1,27987,188
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.328
atom chem shift.val err: 0.001

1,27987,189
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,190
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,191
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.001

1,27987,192
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,193
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.896
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1,27987,194
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,195
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,196
type: atom chem shift
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1,27987,197
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of datablock: info:bmrb/27987
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1,27987,198
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1,27987,199
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1,27987,200
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of datablock: info:bmrb/27987
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1,27987,201
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,202
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of datablock: info:bmrb/27987
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1,27987,203
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of datablock: info:bmrb/27987
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1,27987,204
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1,27987,205
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1,27987,206
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1,27987,207
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1,27987,208
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1,27987,209
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,210
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1,27987,211
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1,27987,212
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1,27987,213
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atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 21
atom chem shift.comp id: GLN
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: 0.208
atom chem shift.val err: 0.002

1,27987,214
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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: GLN
atom chem shift.auth seq id: 21
atom chem shift.comp id: GLN
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: 59.264
atom chem shift.val err: 0.028

1,27987,215
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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: GLN
atom chem shift.auth seq id: 21
atom chem shift.comp id: GLN
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: 27.027
atom chem shift.val err: 0.028

1,27987,216
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 216
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 21
atom chem shift.comp id: GLN
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: 33.532
atom chem shift.val err: 0.019

1,27987,217
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 217
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: 21
atom chem shift.comp id: GLN
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: 122.145
atom chem shift.val err: 0.041

1,27987,218
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 218
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: HN
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 8.530
atom chem shift.val err: 0.001

1,27987,219
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 219
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: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 4.347
atom chem shift.val err: 0.002

1,27987,220
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 220
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 2.597
atom chem shift.val err: 0.001

1,27987,221
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 221
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 2.936
atom chem shift.val err: 0.002

1,27987,222
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 222
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 2.783
atom chem shift.val err: 0.000

1,27987,223
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 223
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 3.090
atom chem shift.val err: 0.000

1,27987,224
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 224
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE21
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 7.214
atom chem shift.val err: 0.000

1,27987,225
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 225
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE22
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 7.866
atom chem shift.val err: 0.000

1,27987,226
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 58.686
atom chem shift.val err: 0.019

1,27987,227
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 29.263
atom chem shift.val err: 0.027

1,27987,228
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 228
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 34.249
atom chem shift.val err: 0.025

1,27987,229
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 229
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: 22
atom chem shift.comp id: GLN
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 22
atom chem shift.val: 117.548
atom chem shift.val err: 0.035

1,27987,230
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 230
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NE2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: NE2
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 22
atom chem shift.comp id: GLN
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: 111.871
atom chem shift.val err: 0.000

1,27987,231
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 231
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: HN
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 23
atom chem shift.comp id: VAL
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: 8.784
atom chem shift.val err: 0.001

1,27987,232
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 232
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: 23
atom chem shift.comp id: VAL
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: 4.090
atom chem shift.val err: 0.001

1,27987,233
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 233
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 23
atom chem shift.comp id: VAL
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: 2.580
atom chem shift.val err: 0.002

1,27987,234
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 234
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 23
atom chem shift.comp id: VAL
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: 1.012
atom chem shift.val err: 0.001

1,27987,235
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 235
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 23
atom chem shift.comp id: VAL
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: 1.012
atom chem shift.val err: 0.001

1,27987,236
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 236
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 23
atom chem shift.comp id: VAL
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: 1.012
atom chem shift.val err: 0.001

1,27987,237
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 237
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 23
atom chem shift.comp id: VAL
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: 1.467
atom chem shift.val err: 0.001

1,27987,238
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 238
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 23
atom chem shift.comp id: VAL
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: 1.467
atom chem shift.val err: 0.001

1,27987,239
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 239
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 23
atom chem shift.comp id: VAL
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: 1.467
atom chem shift.val err: 0.001

1,27987,240
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 240
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: 23
atom chem shift.comp id: VAL
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: 64.737
atom chem shift.val err: 0.028

1,27987,241
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 241
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: 23
atom chem shift.comp id: VAL
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: 33.132
atom chem shift.val err: 0.019

1,27987,242
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 242
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 23
atom chem shift.comp id: VAL
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: 21.358
atom chem shift.val err: 0.032

1,27987,243
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 243
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 23
atom chem shift.comp id: VAL
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: 22.058
atom chem shift.val err: 0.028

1,27987,244
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 244
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: 23
atom chem shift.comp id: VAL
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: 115.199
atom chem shift.val err: 0.081

1,27987,245
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 245
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: HN
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 24
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: 8.464
atom chem shift.val err: 0.001

1,27987,246
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 246
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: 24
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: 3.339
atom chem shift.val err: 0.001

1,27987,247
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 247
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 24
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: 1.170
atom chem shift.val err: 0.004

1,27987,248
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 248
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 24
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: -0.309
atom chem shift.val err: 0.002

1,27987,249
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 249
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 24
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: -0.309
atom chem shift.val err: 0.002

1,27987,250
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 250
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 24
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: -0.309
atom chem shift.val err: 0.002

1,27987,251
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 251
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 24
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: -0.432
atom chem shift.val err: 0.001

1,27987,252
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 252
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 24
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: -0.432
atom chem shift.val err: 0.001

1,27987,253
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 253
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 24
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: -0.432
atom chem shift.val err: 0.001

1,27987,254
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 254
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: 24
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: 63.724
atom chem shift.val err: 0.035

1,27987,255
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 255
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: 24
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: 30.534
atom chem shift.val err: 0.035

1,27987,256
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 256
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 24
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: 21.028
atom chem shift.val err: 0.043

1,27987,257
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 257
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 24
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: 21.950
atom chem shift.val err: 0.038

1,27987,258
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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: VAL
atom chem shift.auth seq id: 24
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: 119.586
atom chem shift.val err: 0.028

1,27987,259
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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: HN
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLY
atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 25
atom chem shift.val: 7.013
atom chem shift.val err: 0.002

1,27987,260
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 260
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA1
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLY
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: 3.574
atom chem shift.val err: 0.000

1,27987,261
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 261
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA2
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLY
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: 3.736
atom chem shift.val err: 0.000

1,27987,262
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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: GLY
atom chem shift.auth seq id: 25
atom chem shift.comp id: GLY
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: 46.575
atom chem shift.val err: 0.023

1,27987,263
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 263
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: 25
atom chem shift.comp id: GLY
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: 105.824
atom chem shift.val err: 0.009

1,27987,264
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 264
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: HN
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 26
atom chem shift.comp id: ASN
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: 6.679
atom chem shift.val err: 0.001

1,27987,265
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 265
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: 26
atom chem shift.comp id: ASN
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: 4.553
atom chem shift.val err: 0.005

1,27987,266
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 266
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 26
atom chem shift.comp id: ASN
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: 2.453
atom chem shift.val err: 0.000

1,27987,267
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 267
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 26
atom chem shift.comp id: ASN
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: 2.738
atom chem shift.val err: 0.002

1,27987,268
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 268
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD21
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 26
atom chem shift.comp id: ASN
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: 6.783
atom chem shift.val err: 0.000

1,27987,269
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 269
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD22
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 26
atom chem shift.comp id: ASN
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: 7.500
atom chem shift.val err: 0.000

1,27987,270
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 270
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: 26
atom chem shift.comp id: ASN
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: 52.304
atom chem shift.val err: 0.028

1,27987,271
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 271
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: ASN
atom chem shift.auth seq id: 26
atom chem shift.comp id: ASN
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: 39.290
atom chem shift.val err: 0.024

1,27987,272
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 272
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 26
atom chem shift.comp id: ASN
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: 115.539
atom chem shift.val err: 0.018

1,27987,273
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 273
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: ND2
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: ND2
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 26
atom chem shift.comp id: ASN
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 111.977
atom chem shift.val err: 0.003

1,27987,274
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 274
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: HN
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 27
atom chem shift.comp id: CYS
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: 8.295
atom chem shift.val err: 0.001

1,27987,275
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 275
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
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 27
atom chem shift.comp id: CYS
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: 2.974
atom chem shift.val err: 0.002

1,27987,276
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 276
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: CYS
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atom chem shift.comp id: CYS
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: 4.115
atom chem shift.val err: 0.000

1,27987,277
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 277
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 27
atom chem shift.comp id: CYS
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: 5.018
atom chem shift.val err: 0.002

1,27987,278
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 278
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 27
atom chem shift.comp id: CYS
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: 56.392
atom chem shift.val err: 0.026

1,27987,279
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 279
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 27
atom chem shift.comp id: CYS
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: 32.126
atom chem shift.val err: 0.034

1,27987,280
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 280
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 27
atom chem shift.comp id: CYS
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: 122.194
atom chem shift.val err: 0.014

1,27987,281
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 281
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: HN
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 28
atom chem shift.comp id: LYS
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: 8.439
atom chem shift.val err: 0.001

1,27987,282
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 282
atom chem shift.ambiguity code: 1
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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: LYS
atom chem shift.auth seq id: 28
atom chem shift.comp id: LYS
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: 5.693
atom chem shift.val err: 0.001

1,27987,283
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 283
atom chem shift.ambiguity code: 2
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atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 28
atom chem shift.comp id: LYS
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: 2.318
atom chem shift.val err: 0.001

1,27987,284
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 284
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 28
atom chem shift.comp id: LYS
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: 2.338
atom chem shift.val err: 0.000

1,27987,285
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 285
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 28
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1,27987,286
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1,27987,287
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1,27987,288
type: atom chem shift
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1,27987,289
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1,27987,290
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1,27987,291
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1,27987,292
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1,27987,293
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1,27987,294
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1,27987,295
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1,27987,296
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1,27987,297
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1,27987,298
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1,27987,299
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1,27987,300
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1,27987,301
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1,27987,302
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1,27987,303
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1,27987,304
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1,27987,305
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1,27987,306
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1,27987,307
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1,27987,308
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1,27987,309
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1,27987,310
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1,27987,311
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1,27987,314
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1,27987,315
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1,27987,316
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1,27987,317
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1,27987,319
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atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 23.342
atom chem shift.val err: 0.034

1,27987,322
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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
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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: 31
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 121.405
atom chem shift.val err: 0.041

1,27987,323
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 323
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atom chem shift.comp id: GLU
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: 10.777
atom chem shift.val err: 0.001

1,27987,324
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 324
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atom chem shift.comp id: GLU
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: 5.237
atom chem shift.val err: 0.001

1,27987,325
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 325
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atom chem shift.comp id: GLU
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: 2.911
atom chem shift.val err: 0.000

1,27987,326
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 32
atom chem shift.val: 3.011
atom chem shift.val err: 0.003

1,27987,327
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 327
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atom chem shift.comp id: GLU
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: 2.968
atom chem shift.val err: 0.000

1,27987,328
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.006
atom chem shift.val err: 0.000

1,27987,329
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 32
atom chem shift.val: 61.528
atom chem shift.val err: 0.014

1,27987,330
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 32
atom chem shift.val: 31.071
atom chem shift.val err: 0.010

1,27987,331
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 36.882
atom chem shift.val err: 0.010

1,27987,332
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: GLU
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: 129.801
atom chem shift.val err: 0.020

1,27987,333
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.val: 10.328
atom chem shift.val err: 0.002

1,27987,334
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.364
atom chem shift.val err: 0.001

1,27987,335
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.721
atom chem shift.val err: 0.002

1,27987,336
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.802
atom chem shift.val err: 0.001

1,27987,337
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.041
atom chem shift.val err: 0.000

1,27987,338
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.186
atom chem shift.val err: 0.000

1,27987,339
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.400
atom chem shift.val err: 0.000

1,27987,340
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 56.297
atom chem shift.val err: 0.042

1,27987,341
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,342
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.014

1,27987,343
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 29.463
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1,27987,344
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val: 42.649
atom chem shift.val err: 0.002

1,27987,345
type: atom chem shift
of datablock: info:bmrb/27987
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.val err: 0.009

1,27987,346
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,347
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,348
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,349
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val: 45.175
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1,27987,350
type: atom chem shift
of datablock: info:bmrb/27987
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: 108.817
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1,27987,351
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,352
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val: -0.909
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1,27987,353
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,354
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,355
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,356
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,357
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of datablock: info:bmrb/27987
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atom chem shift.val: 4.275
atom chem shift.val err: 0.000

1,27987,358
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 64.589
atom chem shift.val err: 0.021

1,27987,359
type: atom chem shift
of datablock: info:bmrb/27987
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: 30.930
atom chem shift.val err: 0.035

1,27987,360
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 27.058
atom chem shift.val err: 0.035

1,27987,361
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 50.194
atom chem shift.val err: 0.018

1,27987,362
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.430
atom chem shift.val err: 0.002

1,27987,363
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.616
atom chem shift.val err: 0.001

1,27987,364
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val: 44.032
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1,27987,365
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.369
atom chem shift.val err: 0.001

1,27987,366
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.791
atom chem shift.val err: 0.002

1,27987,367
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,368
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,369
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val err: 0.003

1,27987,370
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,371
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,372
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,373
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,374
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,375
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of datablock: info:bmrb/27987
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1,27987,376
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of datablock: info:bmrb/27987
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1,27987,377
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of datablock: info:bmrb/27987
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1,27987,378
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,379
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of datablock: info:bmrb/27987
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1,27987,380
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of datablock: info:bmrb/27987
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1,27987,381
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of datablock: info:bmrb/27987
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1,27987,382
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1,27987,388
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1,27987,390
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,391
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of datablock: info:bmrb/27987
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of datablock: info:bmrb/27987
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 14.204
atom chem shift.val err: 0.033

1,27987,394
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 394
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 38
atom chem shift.comp id: ILE
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 128.920
atom chem shift.val err: 0.041

1,27987,395
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 395
atom chem shift.ambiguity code: 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: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 9.418
atom chem shift.val err: 0.002

1,27987,396
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 396
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 39
atom chem shift.comp id: GLU
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: 4.076
atom chem shift.val err: 0.001

1,27987,397
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 397
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atom chem shift.atom id: HB2
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atom chem shift.comp id: GLU
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: 2.189
atom chem shift.val err: 0.000

1,27987,398
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 398
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atom chem shift.comp id: GLU
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: 2.221
atom chem shift.val err: 0.001

1,27987,399
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 399
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atom chem shift.comp id: GLU
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: 2.383
atom chem shift.val err: 0.001

1,27987,400
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 400
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atom chem shift.comp id: GLU
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: 2.433
atom chem shift.val err: 0.000

1,27987,401
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: GLU
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: 58.242
atom chem shift.val err: 0.024

1,27987,402
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 402
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 29.212
atom chem shift.val err: 0.019

1,27987,403
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 403
atom chem shift.ambiguity code: 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: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 36.081
atom chem shift.val err: 0.004

1,27987,404
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 404
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 comp id: GLU
atom chem shift.auth seq id: 39
atom chem shift.comp id: GLU
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: 132.065
atom chem shift.val err: 0.019

1,27987,405
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 405
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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: 9.000
atom chem shift.val err: 0.001

1,27987,406
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 406
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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.seq id: 40
atom chem shift.val: 3.674
atom chem shift.val err: 0.002

1,27987,407
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 40
atom chem shift.val: 4.071
atom chem shift.val err: 0.004

1,27987,408
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 408
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atom chem shift.comp id: GLY
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: 45.057
atom chem shift.val err: 0.014

1,27987,409
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 409
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 40
atom chem shift.comp id: GLY
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: 113.046
atom chem shift.val err: 0.016

1,27987,410
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 410
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atom chem shift.comp id: PHE
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: 7.424
atom chem shift.val err: 0.002

1,27987,411
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 411
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atom chem shift.comp id: PHE
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: 2.731
atom chem shift.val err: 0.000

1,27987,412
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 412
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: PHE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.026
atom chem shift.val err: 0.001

1,27987,413
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 413
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atom chem shift.val: 2.169
atom chem shift.val err: 0.000

1,27987,414
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.val: 5.347
atom chem shift.val err: 0.000

1,27987,415
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 60.582
atom chem shift.val err: 0.035

1,27987,416
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PHE
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 41
atom chem shift.val: 38.434
atom chem shift.val err: 0.027

1,27987,417
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: PHE
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 41
atom chem shift.val: 129.556
atom chem shift.val err: 0.000

1,27987,418
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 418
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: PHE
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atom chem shift.comp id: PHE
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: 120.085
atom chem shift.val err: 0.009

1,27987,419
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: GLY
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atom chem shift.val: 2.079
atom chem shift.val err: 0.000

1,27987,420
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,27987,421
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLY
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 42
atom chem shift.val: 43.109
atom chem shift.val err: 0.010

1,27987,422
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
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atom chem shift.val: 7.245
atom chem shift.val err: 0.002

1,27987,423
type: atom chem shift
of datablock: info:bmrb/27987
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.val: -0.089
atom chem shift.val err: 0.003

1,27987,424
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.comp index id: 43
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atom chem shift.val: -0.748
atom chem shift.val err: 0.004

1,27987,425
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
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atom chem shift.val: 0.929
atom chem shift.val err: 0.004

1,27987,426
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
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atom chem shift.val: 4.104
atom chem shift.val err: 0.004

1,27987,427
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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1,27987,428
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,429
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.comp id: LYS
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: 3.896
atom chem shift.val err: 0.002

1,27987,430
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 430
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
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: 58.705
atom chem shift.val err: 0.031

1,27987,431
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 431
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: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
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: 31.733
atom chem shift.val err: 0.027

1,27987,432
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 432
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
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: 25.471
atom chem shift.val err: 0.036

1,27987,433
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 433
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CD
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
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: 30.761
atom chem shift.val err: 0.012

1,27987,434
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 434
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: CE
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CE
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
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: 43.526
atom chem shift.val err: 0.039

1,27987,435
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 435
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: 43
atom chem shift.comp id: LYS
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: 120.771
atom chem shift.val err: 0.009

1,27987,436
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 436
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atom chem shift.auth seq id: 44
atom chem shift.comp id: ASP
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: 8.653
atom chem shift.val err: 0.002

1,27987,437
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 437
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HA
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atom chem shift.auth atom id: HA
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atom chem shift.auth seq id: 44
atom chem shift.comp id: ASP
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: 6.880
atom chem shift.val err: 0.000

1,27987,438
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 438
atom chem shift.ambiguity code: 2
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atom chem shift.auth seq id: 44
atom chem shift.comp id: ASP
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: 3.220
atom chem shift.val err: 0.000

1,27987,439
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 439
atom chem shift.ambiguity code: 2
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atom chem shift.atom id: HB3
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 44
atom chem shift.comp id: ASP
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: 3.578
atom chem shift.val err: 0.000

1,27987,440
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 440
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: 44
atom chem shift.comp id: ASP
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: 59.473
atom chem shift.val err: 0.019

1,27987,441
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 441
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: CB
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 44
atom chem shift.comp id: ASP
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: 40.793
atom chem shift.val err: 0.025

1,27987,442
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 442
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: 44
atom chem shift.comp id: ASP
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: 118.754
atom chem shift.val err: 0.083

1,27987,443
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 443
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 45
atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 8.890
atom chem shift.val err: 0.001

1,27987,444
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 444
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 45
atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 4.096
atom chem shift.val err: 0.001

1,27987,445
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 445
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 45
atom chem shift.val: 2.247
atom chem shift.val err: 0.000

1,27987,446
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 45
atom chem shift.val: 3.167
atom chem shift.val err: 0.002

1,27987,447
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 447
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atom chem shift.comp id: TRP
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: 7.221
atom chem shift.val err: 0.005

1,27987,448
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 448
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atom chem shift.auth comp id: TRP
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atom chem shift.comp id: TRP
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: 10.436
atom chem shift.val err: 0.000

1,27987,449
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 449
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 45
atom chem shift.val: 5.527
atom chem shift.val err: 0.002

1,27987,450
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: TRP
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: 7.430
atom chem shift.val err: 0.003

1,27987,451
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 451
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 45
atom chem shift.val: 3.925
atom chem shift.val err: 0.002

1,27987,452
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 452
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: TRP
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: 4.481
atom chem shift.val err: 0.000

1,27987,453
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 453
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 45
atom chem shift.val: 62.006
atom chem shift.val err: 0.036

1,27987,454
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 454
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atom chem shift.comp id: TRP
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: 31.461
atom chem shift.val err: 0.016

1,27987,455
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 455
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atom chem shift.comp id: TRP
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: 128.214
atom chem shift.val err: 0.056

1,27987,456
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 456
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atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 45
atom chem shift.val: 119.822
atom chem shift.val err: 0.091

1,27987,457
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 457
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atom chem shift.comp id: TRP
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: 115.244
atom chem shift.val err: 0.009

1,27987,458
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 458
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: TRP
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: 117.598
atom chem shift.val err: 0.005

1,27987,459
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 459
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 45
atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 121.673
atom chem shift.val err: 0.019

1,27987,460
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 460
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 45
atom chem shift.comp id: TRP
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: 122.331
atom chem shift.val err: 0.015

1,27987,461
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 461
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth seq id: 45
atom chem shift.comp id: TRP
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 45
atom chem shift.val: 131.520
atom chem shift.val err: 0.000

1,27987,462
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 462
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 46
atom chem shift.val: 8.133
atom chem shift.val err: 0.001

1,27987,463
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 463
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 46
atom chem shift.val: 2.501
atom chem shift.val err: 0.001

1,27987,464
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 464
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 46
atom chem shift.val: -2.686
atom chem shift.val err: 0.013

1,27987,465
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 465
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atom chem shift.comp id: ALA
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: -2.686
atom chem shift.val err: 0.013

1,27987,466
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 466
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HB3
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 46
atom chem shift.comp id: ALA
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: -2.686
atom chem shift.val err: 0.013

1,27987,467
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 467
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: 46
atom chem shift.comp id: ALA
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: 55.159
atom chem shift.val err: 0.035

1,27987,468
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 468
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: 46
atom chem shift.comp id: ALA
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: 15.833
atom chem shift.val err: 0.055

1,27987,469
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 469
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: 46
atom chem shift.comp id: ALA
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: 119.277
atom chem shift.val err: 0.022

1,27987,470
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 470
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
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atom chem shift.auth atom id: HN
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 47
atom chem shift.comp id: HIS
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: 12.624
atom chem shift.val err: 0.003

1,27987,471
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 471
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: HIS
atom chem shift.auth seq id: 47
atom chem shift.comp id: HIS
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: 8.178
atom chem shift.val err: 0.003

1,27987,472
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 472
atom chem shift.ambiguity code: 2
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atom chem shift.atom id: HB2
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atom chem shift.comp id: HIS
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: 15.459
atom chem shift.val err: 0.000

1,27987,473
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 473
atom chem shift.ambiguity code: 2
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atom chem shift.atom id: HB3
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atom chem shift.auth seq id: 47
atom chem shift.comp id: HIS
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: 18.034
atom chem shift.val err: 0.000

1,27987,474
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 474
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: HIS
atom chem shift.auth seq id: 47
atom chem shift.comp id: HIS
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: 63.436
atom chem shift.val err: 0.039

1,27987,475
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 475
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: 47
atom chem shift.comp id: HIS
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: 24.825
atom chem shift.val err: 0.023

1,27987,476
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 476
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: 47
atom chem shift.comp id: HIS
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 122.073
atom chem shift.val err: 0.029

1,27987,477
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 477
atom chem shift.ambiguity code: 1
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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: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 9.445
atom chem shift.val err: 0.002

1,27987,478
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 478
atom chem shift.ambiguity code: 1
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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: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 5.170
atom chem shift.val err: 0.001

1,27987,479
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 479
atom chem shift.ambiguity code: 2
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atom chem shift.auth seq id: 48
atom chem shift.comp id: LYS
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: 2.172
atom chem shift.val err: 0.003

1,27987,480
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 480
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 48
atom chem shift.val: 2.648
atom chem shift.val err: 0.001

1,27987,481
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 481
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atom chem shift.assembly atom id: 0
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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: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 1.590
atom chem shift.val err: 0.003

1,27987,482
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 482
atom chem shift.ambiguity code: 2
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atom chem shift.auth seq id: 48
atom chem shift.comp id: LYS
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: 1.990
atom chem shift.val err: 0.002

1,27987,483
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 483
atom chem shift.ambiguity code: 2
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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: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 1.942
atom chem shift.val err: 0.000

1,27987,484
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 484
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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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: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 2.056
atom chem shift.val err: 0.002

1,27987,485
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 485
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: LYS
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: 3.234
atom chem shift.val err: 0.001

1,27987,486
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 486
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
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: 60.007
atom chem shift.val err: 0.028

1,27987,487
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 487
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 48
atom chem shift.val: 33.631
atom chem shift.val err: 0.029

1,27987,488
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 488
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
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: 25.212
atom chem shift.val err: 0.032

1,27987,489
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 489
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
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: 29.585
atom chem shift.val err: 0.018

1,27987,490
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 490
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
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: 42.405
atom chem shift.val err: 0.007

1,27987,491
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 491
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: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 120.473
atom chem shift.val err: 0.022

1,27987,492
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 492
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atom chem shift.comp id: THR
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: 8.057
atom chem shift.val err: 0.001

1,27987,493
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 493
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atom chem shift.comp id: THR
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: 2.744
atom chem shift.val err: 0.001

1,27987,494
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 494
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atom chem shift.comp id: THR
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: 1.076
atom chem shift.val err: 0.003

1,27987,495
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: THR
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: -1.494
atom chem shift.val err: 0.003

1,27987,496
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 496
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atom chem shift.comp id: THR
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: -1.494
atom chem shift.val err: 0.003

1,27987,497
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 497
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atom chem shift.comp id: THR
atom chem shift.comp index id: 49
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atom chem shift.val: -1.494
atom chem shift.val err: 0.003

1,27987,498
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 498
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atom chem shift.comp id: THR
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
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atom chem shift.val: 65.020
atom chem shift.val err: 0.053

1,27987,499
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 499
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atom chem shift.comp id: THR
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: 67.121
atom chem shift.val err: 0.013

1,27987,500
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 500
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atom chem shift.comp id: THR
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: 19.495
atom chem shift.val err: 0.023

1,27987,501
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 501
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
atom chem shift.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 49
atom chem shift.comp id: THR
atom chem shift.comp index id: 49
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atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 114.291
atom chem shift.val err: 0.013

1,27987,502
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: CYS
atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 6.172
atom chem shift.val err: 0.003

1,27987,503
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: CYS
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: -2.989
atom chem shift.val err: 0.002

1,27987,504
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 504
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atom chem shift.comp id: CYS
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: -0.802
atom chem shift.val err: 0.005

1,27987,505
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 505
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atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 50
atom chem shift.val: 0.439
atom chem shift.val err: 0.001

1,27987,506
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 506
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atom chem shift.comp id: CYS
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: 54.981
atom chem shift.val err: 0.024

1,27987,507
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: CYS
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: 34.020
atom chem shift.val err: 0.043

1,27987,508
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 508
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atom chem shift.comp id: CYS
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: 117.733
atom chem shift.val err: 0.043

1,27987,509
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 509
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atom chem shift.comp id: LYS
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: 6.181
atom chem shift.val err: 0.003

1,27987,510
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 51
atom chem shift.val: 5.727
atom chem shift.val err: 0.001

1,27987,511
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 511
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 51
atom chem shift.val: 1.821
atom chem shift.val err: 0.004

1,27987,512
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 512
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 51
atom chem shift.val: 3.434
atom chem shift.val err: 0.001

1,27987,513
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
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: 2.172
atom chem shift.val err: 0.001

1,27987,514
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 514
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: LYS
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: 2.907
atom chem shift.val err: 0.003

1,27987,515
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 51
atom chem shift.val: 3.958
atom chem shift.val err: 0.000

1,27987,516
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 516
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 51
atom chem shift.val: 60.803
atom chem shift.val err: 0.025

1,27987,517
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 51
atom chem shift.val: 33.307
atom chem shift.val err: 0.037

1,27987,518
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 51
atom chem shift.val: 26.388
atom chem shift.val err: 0.017

1,27987,519
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 51
atom chem shift.val: 30.647
atom chem shift.val err: 0.032

1,27987,520
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.seq id: 51
atom chem shift.val: 42.290
atom chem shift.val err: 0.022

1,27987,521
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 521
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atom chem shift.auth seq id: 51
atom chem shift.comp id: LYS
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 51
atom chem shift.val: 114.373
atom chem shift.val err: 0.039

1,27987,522
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 6.946
atom chem shift.val err: 0.002

1,27987,523
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.178
atom chem shift.val err: 0.001

1,27987,524
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.408
atom chem shift.val err: 0.002

1,27987,525
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 47.799
atom chem shift.val err: 0.013

1,27987,526
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 52
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 52
atom chem shift.val: 103.810
atom chem shift.val err: 0.016

1,27987,527
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 6.779
atom chem shift.val err: 0.002

1,27987,528
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.267
atom chem shift.val err: 0.000

1,27987,529
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -0.197
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1,27987,530
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.077
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1,27987,531
type: atom chem shift
of datablock: info:bmrb/27987
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: 53
atom chem shift.val: 57.778
atom chem shift.val err: 0.026

1,27987,532
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 28.177
atom chem shift.val err: 0.029

1,27987,533
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 533
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atom chem shift.comp id: CYS
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
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atom chem shift.val: 119.732
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1,27987,534
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 10.378
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1,27987,535
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.041
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1,27987,536
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 18.202
atom chem shift.val err: 0.000

1,27987,537
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.seq id: 54
atom chem shift.val: 21.624
atom chem shift.val err: 0.000

1,27987,538
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 54
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 54
atom chem shift.val: 60.565
atom chem shift.val err: 0.035

1,27987,539
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 54
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 54
atom chem shift.val: 13.496
atom chem shift.val err: 0.035

1,27987,540
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 540
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.comp id: HIS
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: 118.745
atom chem shift.val err: 0.046

1,27987,541
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 541
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atom chem shift.comp id: GLU
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: 10.013
atom chem shift.val err: 0.001

1,27987,542
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 4.888
atom chem shift.val err: 0.002

1,27987,543
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.639
atom chem shift.val err: 0.002

1,27987,544
type: atom chem shift
of datablock: info:bmrb/27987
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: 2.972
atom chem shift.val err: 0.001

1,27987,545
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 2.952
atom chem shift.val err: 0.002

1,27987,546
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
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: 3.304
atom chem shift.val err: 0.002

1,27987,547
type: atom chem shift
of datablock: info:bmrb/27987
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: 60.360
atom chem shift.val err: 0.029

1,27987,548
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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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: 30.426
atom chem shift.val err: 0.038

1,27987,549
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 37.653
atom chem shift.val err: 0.035

1,27987,550
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
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: 119.904
atom chem shift.val err: 0.012

1,27987,551
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.582
atom chem shift.val err: 0.001

1,27987,552
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.303
atom chem shift.val err: 0.002

1,27987,553
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.202
atom chem shift.val err: 0.000

1,27987,554
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.306
atom chem shift.val err: 0.000

1,27987,555
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.321
atom chem shift.val err: 0.001

1,27987,556
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.001

1,27987,557
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.012

1,27987,558
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val: 30.214
atom chem shift.val err: 0.016

1,27987,559
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val err: 0.029

1,27987,560
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 56
atom chem shift.entity assembly id: 1
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atom chem shift.val: 121.305
atom chem shift.val err: 0.004

1,27987,561
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.002

1,27987,562
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val err: 0.003

1,27987,563
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,564
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,565
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val: 2.530
atom chem shift.val err: 0.002

1,27987,566
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,27987,567
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,568
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,569
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,570
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,571
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,572
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of datablock: info:bmrb/27987
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atom chem shift.val: 114.648
atom chem shift.val err: 0.012

1,27987,574
type: atom chem shift
of datablock: info:bmrb/27987
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: 8.301
atom chem shift.val err: 0.002

1,27987,575
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.330
atom chem shift.val err: 0.003

1,27987,576
type: atom chem shift
of datablock: info:bmrb/27987
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: 2.083
atom chem shift.val err: 0.002

1,27987,577
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.222
atom chem shift.val err: 0.002

1,27987,578
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.585
atom chem shift.val err: 0.001

1,27987,579
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.801
atom chem shift.val err: 0.001

1,27987,580
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.928
atom chem shift.val err: 0.002

1,27987,581
type: atom chem shift
of datablock: info:bmrb/27987
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: 3.182
atom chem shift.val err: 0.000

1,27987,582
type: atom chem shift
of datablock: info:bmrb/27987
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: 58
atom chem shift.val: 57.369
atom chem shift.val err: 0.006

1,27987,583
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 29.173
atom chem shift.val err: 0.029

1,27987,584
type: atom chem shift
of datablock: info:bmrb/27987
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: 25.184
atom chem shift.val err: 0.017

1,27987,585
type: atom chem shift
of datablock: info:bmrb/27987
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: 29.244
atom chem shift.val err: 0.022

1,27987,586
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 42.644
atom chem shift.val err: 0.008

1,27987,587
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 115.623
atom chem shift.val err: 0.025

1,27987,588
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.614
atom chem shift.val err: 0.002

1,27987,589
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.179
atom chem shift.val err: 0.001

1,27987,590
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,591
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,592
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,593
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,594
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,595
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of datablock: info:bmrb/27987
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1,27987,596
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,597
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,598
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,599
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,600
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of datablock: info:bmrb/27987
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1,27987,601
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,602
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,603
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,604
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,605
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,606
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,607
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,608
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,609
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 61
atom chem shift.val: -0.263
atom chem shift.val err: 0.003

1,27987,610
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 61
atom chem shift.val: 1.698
atom chem shift.val err: 0.001

1,27987,611
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 1.848
atom chem shift.val err: 0.001

1,27987,612
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
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atom chem shift.val: 63.078
atom chem shift.val err: 0.030

1,27987,613
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 33.586
atom chem shift.val err: 0.028

1,27987,614
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 28.740
atom chem shift.val err: 0.036

1,27987,615
type: atom chem shift
of datablock: info:bmrb/27987
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: 50.124
atom chem shift.val err: 0.030

1,27987,616
type: atom chem shift
of datablock: info:bmrb/27987
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.entity assembly id: 1
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atom chem shift.seq id: 62
atom chem shift.val: 9.411
atom chem shift.val err: 0.001

1,27987,617
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 62
atom chem shift.val: 4.955
atom chem shift.val err: 0.005

1,27987,618
type: atom chem shift
of datablock: info:bmrb/27987
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: 62
atom chem shift.val: 2.472
atom chem shift.val err: 0.001

1,27987,619
type: atom chem shift
of datablock: info:bmrb/27987
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: 2.472
atom chem shift.val err: 0.001

1,27987,620
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.472
atom chem shift.val err: 0.001

1,27987,621
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 62.741
atom chem shift.val err: 0.033

1,27987,622
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 62
atom chem shift.val: 70.941
atom chem shift.val err: 0.028

1,27987,623
type: atom chem shift
of datablock: info:bmrb/27987
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: 62
atom chem shift.val: 23.651
atom chem shift.val err: 0.017

1,27987,624
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
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atom chem shift.val: 113.629
atom chem shift.val err: 0.016

1,27987,625
type: atom chem shift
of datablock: info:bmrb/27987
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: 7.971
atom chem shift.val err: 0.001

1,27987,626
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.838
atom chem shift.val err: 0.001

1,27987,627
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.293
atom chem shift.val err: 0.002

1,27987,628
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.002

1,27987,629
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.484
atom chem shift.val err: 0.001

1,27987,630
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.192
atom chem shift.val err: 0.000

1,27987,631
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,632
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.852
atom chem shift.val err: 0.001

1,27987,633
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 55.422
atom chem shift.val err: 0.027

1,27987,634
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,635
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,636
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 24.881
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1,27987,637
type: atom chem shift
of datablock: info:bmrb/27987
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.val: 41.882
atom chem shift.val err: 0.013

1,27987,638
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
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atom chem shift.val: 123.771
atom chem shift.val err: 0.016

1,27987,639
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: CYS
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atom chem shift.val: 6.681
atom chem shift.val err: 0.001

1,27987,640
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: CYS
atom chem shift.comp index id: 64
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atom chem shift.val: -1.171
atom chem shift.val err: 0.003

1,27987,641
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -0.734
atom chem shift.val err: 0.002

1,27987,642
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,643
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,644
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 33.732
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1,27987,645
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 64
atom chem shift.comp id: CYS
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: 117.160
atom chem shift.val err: 0.078

1,27987,646
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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
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atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 8.446
atom chem shift.val err: 0.001

1,27987,647
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 647
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 3.891
atom chem shift.val err: 0.002

1,27987,648
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 648
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA2
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 5.255
atom chem shift.val err: 0.000

1,27987,649
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 649
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 45.795
atom chem shift.val err: 0.019

1,27987,650
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 650
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 65
atom chem shift.comp id: GLY
atom chem shift.comp index id: 65
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 65
atom chem shift.val: 103.309
atom chem shift.val err: 0.023

1,27987,651
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 651
atom chem shift.ambiguity code: 1
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atom chem shift.auth atom id: HN
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 66
atom chem shift.comp id: ASP
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: 7.060
atom chem shift.val err: 0.001

1,27987,652
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 652
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: 66
atom chem shift.comp id: ASP
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: 4.677
atom chem shift.val err: 0.002

1,27987,653
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 653
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 66
atom chem shift.comp id: ASP
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: 2.189
atom chem shift.val err: 0.002

1,27987,654
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 654
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 66
atom chem shift.comp id: ASP
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: 2.338
atom chem shift.val err: 0.001

1,27987,655
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 655
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: 66
atom chem shift.comp id: ASP
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: 54.928
atom chem shift.val err: 0.019

1,27987,656
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 656
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: 66
atom chem shift.comp id: ASP
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: 40.909
atom chem shift.val err: 0.030

1,27987,657
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 657
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: 66
atom chem shift.comp id: ASP
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: 116.796
atom chem shift.val err: 0.009

1,27987,658
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 658
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
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atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 67
atom chem shift.comp id: CYS
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: 6.843
atom chem shift.val err: 0.002

1,27987,659
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 659
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: CYS
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: 5.434
atom chem shift.val err: 0.001

1,27987,660
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 660
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: CYS
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atom chem shift.comp id: CYS
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: 1.820
atom chem shift.val err: 0.001

1,27987,661
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 661
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atom chem shift.comp id: CYS
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: 3.032
atom chem shift.val err: 0.000

1,27987,662
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 662
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.auth seq id: 67
atom chem shift.comp id: CYS
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: 57.329
atom chem shift.val err: 0.017

1,27987,663
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 663
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CB
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atom chem shift.auth seq id: 67
atom chem shift.comp id: CYS
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: 39.483
atom chem shift.val err: 0.028

1,27987,664
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 664
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 67
atom chem shift.comp id: CYS
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: 114.677
atom chem shift.val err: 0.019

1,27987,665
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 665
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atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 68
atom chem shift.comp id: HIS
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: 11.714
atom chem shift.val err: 0.003

1,27987,666
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 666
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atom chem shift.comp id: HIS
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: 10.578
atom chem shift.val err: 0.002

1,27987,667
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 667
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 68
atom chem shift.val: 9.146
atom chem shift.val err: 0.004

1,27987,668
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 668
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: HIS
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: 12.632
atom chem shift.val err: 0.007

1,27987,669
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 669
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: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 80.111
atom chem shift.val err: 0.022

1,27987,670
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 670
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atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 68
atom chem shift.comp id: HIS
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: 24.054
atom chem shift.val err: 0.029

1,27987,671
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 671
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: 68
atom chem shift.comp id: HIS
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: 121.425
atom chem shift.val err: 0.027

1,27987,672
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 672
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
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: 10.538
atom chem shift.val err: 0.001

1,27987,673
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 673
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
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: 5.958
atom chem shift.val err: 0.001

1,27987,674
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 674
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 69
atom chem shift.comp id: LYS
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: 2.777
atom chem shift.val err: 0.002

1,27987,675
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 675
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
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: 2.964
atom chem shift.val err: 0.000

1,27987,676
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 676
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 69
atom chem shift.val: 2.220
atom chem shift.val err: 0.000

1,27987,677
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 677
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 69
atom chem shift.comp id: LYS
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: 2.281
atom chem shift.val err: 0.001

1,27987,678
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 69
atom chem shift.val: 2.239
atom chem shift.val err: 0.000

1,27987,679
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 679
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 69
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atom chem shift.val: 3.307
atom chem shift.val err: 0.000

1,27987,680
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 69
atom chem shift.val: 57.012
atom chem shift.val err: 0.014

1,27987,681
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 35.150
atom chem shift.val err: 0.010

1,27987,682
type: atom chem shift
of datablock: info:bmrb/27987
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.seq id: 69
atom chem shift.val: 25.600
atom chem shift.val err: 0.010

1,27987,683
type: atom chem shift
of datablock: info:bmrb/27987
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.seq id: 69
atom chem shift.val: 29.638
atom chem shift.val err: 0.010

1,27987,684
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
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: 42.844
atom chem shift.val err: 0.011

1,27987,685
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
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atom chem shift.val: 127.700
atom chem shift.val err: 0.012

1,27987,686
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.200
atom chem shift.val err: 0.001

1,27987,687
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.078
atom chem shift.val err: 0.000

1,27987,688
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.002

1,27987,689
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.001

1,27987,690
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.168
atom chem shift.val err: 0.001

1,27987,691
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.233
atom chem shift.val err: 0.002

1,27987,692
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.454
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1,27987,693
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,694
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,695
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,696
type: atom chem shift
of datablock: info:bmrb/27987
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of datablock: info:bmrb/27987
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1,27987,698
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val err: 0.010

1,27987,699
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,700
type: atom chem shift
of datablock: info:bmrb/27987
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type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,702
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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type: atom chem shift
of datablock: info:bmrb/27987
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type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,705
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,706
type: atom chem shift
of datablock: info:bmrb/27987
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type: atom chem shift
of datablock: info:bmrb/27987
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type: atom chem shift
of datablock: info:bmrb/27987
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type: atom chem shift
of datablock: info:bmrb/27987
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of datablock: info:bmrb/27987
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of datablock: info:bmrb/27987
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of datablock: info:bmrb/27987
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of datablock: info:bmrb/27987
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of datablock: info:bmrb/27987
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of datablock: info:bmrb/27987
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atom chem shift.val: 87.327
atom chem shift.val err: 0.013

1,27987,718
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -9.853
atom chem shift.val err: 0.000

1,27987,719
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 20.944
atom chem shift.val err: 0.000

1,27987,720
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 28.376
atom chem shift.val err: 0.000

1,27987,721
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -39.300
atom chem shift.val err: 0.000

1,27987,722
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val: -39.053
atom chem shift.val err: 0.000

1,27987,723
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val: -14.820
atom chem shift.val err: 0.000

1,27987,724
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,725
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 19.945
atom chem shift.val err: 0.000

1,27987,726
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 6.259
atom chem shift.val err: 0.000

1,27987,727
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 25.009
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1,27987,728
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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of datablock: info:bmrb/27987
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1,27987,730
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of datablock: info:bmrb/27987
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1,27987,731
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,732
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of datablock: info:bmrb/27987
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atom chem shift.val err: 0.000

1,27987,733
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val: 3.073
atom chem shift.val err: 0.000

1,27987,734
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
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1,27987,735
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val err: 0.000

1,27987,736
type: atom chem shift
of datablock: info:bmrb/27987
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of datablock: info:bmrb/27987
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1,27987,738
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,739
type: atom chem shift
of datablock: info:bmrb/27987
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of datablock: info:bmrb/27987
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type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val err: 0.000

1,27987,742
type: atom chem shift
of datablock: info:bmrb/27987
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type: atom chem shift
of datablock: info:bmrb/27987
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type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.val: -60.222
atom chem shift.val err: 0.010

1,27987,746
type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,747
type: atom chem shift
of datablock: info:bmrb/27987
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type: atom chem shift
of datablock: info:bmrb/27987
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1,27987,749
type: atom chem shift
of datablock: info:bmrb/27987
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atom chem shift.atom type: C
atom chem shift.auth atom id: CMD
atom chem shift.auth comp id: HEM
atom chem shift.auth seq id: 67
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 4
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: -36.825
atom chem shift.val err: 0.000

1,27987,789
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 789
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: QM1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QM1
atom chem shift.auth comp id: HEM
atom chem shift.auth seq id: 67
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 4
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 14.401
atom chem shift.val err: 0.000

1,27987,790
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 790
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: QM3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QM3
atom chem shift.auth comp id: HEM
atom chem shift.auth seq id: 67
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 4
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 10.992
atom chem shift.val err: 0.000

1,27987,791
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 791
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: QM5
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QM5
atom chem shift.auth comp id: HEM
atom chem shift.auth seq id: 67
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 4
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 15.563
atom chem shift.val err: 0.000

1,27987,792
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 792
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: QM8
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QM8
atom chem shift.auth comp id: HEM
atom chem shift.auth seq id: 67
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 4
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 15.401
atom chem shift.val err: 0.000

1,27987,793
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 793
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: QT2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QT2
atom chem shift.auth comp id: HEM
atom chem shift.auth seq id: 67
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 4
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 1.720
atom chem shift.val err: 0.000

1,27987,794
type: atom chem shift
of datablock: info:bmrb/27987
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 27987
atom chem shift.id: 794
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: QT4
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: QT4
atom chem shift.auth comp id: HEM
atom chem shift.auth seq id: 67
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 4
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 1.217
atom chem shift.val err: 0.000

27987,HEM
type: chem comp
of datablock: info:bmrb/27987
reference to entry: entry
chem comp.entry id: 27987
chem comp.id: HEM
chem comp.ambiguous flag: yes
chem comp.aromatic: yes
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: 2016-01-19Z
chem comp.model coordinates db code: 3IA3
chem comp.model coordinates missing flag: no
chem comp.modified date: 2016-01-19Z
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

CHA,HEM,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CHA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CHB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CHC
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CHD
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C1A
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C3A
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C4A
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CMA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CGA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: O1A
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: O2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C1B
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C2B
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C3B
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C4B
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CMB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C1C
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C2C
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C3C
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C4C
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CMC
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CAC
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CBC
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C1D
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C3D
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: C4D
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CMD
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CAD
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CBD
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: CGD
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: O1D
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: O2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: NA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: NB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: NC
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: ND
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: FE
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HHB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HHC
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HHD
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HAAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HBAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HBBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMC
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMCA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMCB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HAC
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HBC
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HBCA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMD
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMDA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HMDB
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HAD
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HADA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HBD
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HBDA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: H2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: H2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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,27987
type: chem comp atom
of datablock: info:bmrb/27987
reference to entry: entry
chem comp atom.atom id: HHA
chem comp atom.comp id: HEM
chem comp atom.entry id: 27987
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

HEM,27987,1
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
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

HEM,27987,2
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 2
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,27987,3
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 3
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,27987,4
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 4
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,27987,5
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 5
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,27987,6
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 6
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,27987,7
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 7
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,27987,8
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 8
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,27987,9
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 9
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,27987,10
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 10
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,27987,11
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 11
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,27987,12
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 12
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,27987,13
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 13
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,27987,14
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 14
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,27987,15
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 15
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,27987,16
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 16
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,27987,17
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 17
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,27987,18
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 18
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,27987,19
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 19
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,27987,20
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 20
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,27987,21
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 21
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,27987,22
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 22
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,27987,23
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 23
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,27987,24
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 24
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,27987,25
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 25
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,27987,26
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 26
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,27987,27
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 27
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,27987,28
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 28
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,27987,29
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 29
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,27987,30
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 30
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,27987,31
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 31
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,27987,32
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 32
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,27987,33
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 33
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,27987,34
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 34
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,27987,35
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 35
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,27987,36
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 36
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,27987,37
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 37
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,27987,38
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 38
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,27987,39
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 39
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,27987,40
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 40
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,27987,41
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 41
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,27987,42
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 42
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,27987,43
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 43
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,27987,44
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 44
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,27987,45
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 45
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,27987,46
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 46
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,27987,47
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 47
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,27987,48
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 48
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,27987,49
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 49
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,27987,50
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 50
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,27987,51
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 51
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,27987,52
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 52
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,27987,53
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 53
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,27987,54
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 54
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,27987,55
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 55
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,27987,56
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 56
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,27987,57
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 57
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,27987,58
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 58
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,27987,59
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 59
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,27987,60
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 60
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,27987,61
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 61
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,27987,62
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 62
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,27987,63
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 63
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,27987,64
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 64
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,27987,65
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 65
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,27987,66
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 66
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,27987,67
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 67
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,27987,68
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 68
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,27987,69
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 69
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,27987,70
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 70
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,27987,71
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 71
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,27987,72
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 72
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,27987,73
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 73
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,27987,74
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 74
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,27987,75
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 75
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,27987,76
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 76
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,27987,77
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 77
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,27987,78
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 78
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,27987,79
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 79
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,27987,80
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 80
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,27987,81
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 81
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,27987,82
type: chem comp bond
of datablock: info:bmrb/27987
chem comp bond.comp id: HEM
chem comp bond.entry id: 27987
chem comp bond.id: 82
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/bmr27987/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%3D6,27987,ACD,12.01,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27987
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: 27987
chem comp descriptor.program: ACD
chem comp descriptor.program version: 12.01
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr27987/chem_comp_descriptor/HEM,CC1%3DC(CCC(O)%3DO)C2%3DCc3n4%5BFe%5D5%7C6%7CN2%3DC1C%3Dc7n5c(%3DCC8%3DN%7C6C(%3DCc4c(C)c3,27987,CACTVS,3.385,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27987
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: 27987
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.385
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr27987/chem_comp_descriptor/HEM,CC1%3DC(CCC(O)%3DO)C2%3DCc3n4%5BFe%5D5%7C6%7CN2%3DC1C%3Dc7n5c(%3DCC8%3DN%7C6C(%3DCc4c(C)c3,27987,CACTVS,3.385,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/27987
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: 27987
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.385
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr27987/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,27987,OECHEM,1.7.6,SMILES
type: chem comp descriptor
of datablock: info:bmrb/27987
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: 27987
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.6
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr27987/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,27987,OECHEM,1.7.6,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/27987
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: 27987
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.6
chem comp descriptor.type: SMILES_CANONICAL

HEM,,27987,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27987
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: 27987
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

HEM,KABFMIBPWCXCRK-RGGAHWMASA-L,27987,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/27987
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: KABFMIBPWCXCRK-RGGAHWMASA-L
chem comp descriptor.entry id: 27987
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

HEM,27987,3-[(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/27987
chem comp identifier.comp id: HEM
chem comp identifier.entry id: 27987
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,27987,[3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,ACD,12.01,systematic name
type: chem comp identifier
of datablock: info:bmrb/27987
chem comp identifier.comp id: HEM
chem comp identifier.entry id: 27987
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

1,27987,1
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 1
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 279870301

1,27987,2
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 2
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,3
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 3
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,4
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 4
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.700
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.625
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 279870301

1,27987,5
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 5
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 279870301

1,27987,6
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,7
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 7
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.583
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 279870301

1,27987,8
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 8
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,9
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 9
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.700
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 33
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.625
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 279870301

1,27987,10
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 10
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 34
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 279870301

1,27987,11
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 11
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.917
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,12
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 12
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.667
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 36
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 279870301

1,27987,13
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 13
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 37
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 279870301

1,27987,14
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 14
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.714
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 38
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.600
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 279870301

1,27987,15
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 15
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 39
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,16
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 16
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 40
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 279870301

1,27987,17
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 17
chem shift completeness char.arom chem shift 13c coverage: 0.200
chem shift completeness char.arom chem shift 1h coverage: 0.200
chem shift completeness char.arom chem shift coverage: 0.200
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.556
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.429
chem shift completeness char.sc chem shift coverage: 0.385
chem shift completeness char.sf id: 279870301

1,27987,18
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 18
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.667
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 42
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 279870301

1,27987,19
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 19
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.800
chem shift completeness char.chem shift coverage: 0.824
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 43
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 279870301

1,27987,20
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 20
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 44
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,21
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 21
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.875
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.950
chem shift completeness char.comp id: TRP
chem shift completeness char.comp index id: 45
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,22
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 22
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 46
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,23
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 23
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.583
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 47
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 279870301

1,27987,24
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 24
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 48
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 279870301

1,27987,25
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 25
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 49
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,26
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 26
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 50
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,27
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 27
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.700
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 51
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.625
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 279870301

1,27987,28
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 28
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 52
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 279870301

1,27987,29
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 29
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 53
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,30
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 30
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.583
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 54
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 279870301

1,27987,31
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 31
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,32
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 32
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 56
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,33
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 33
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.846
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 57
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.875
chem shift completeness char.sf id: 279870301

1,27987,34
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 34
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.800
chem shift completeness char.chem shift coverage: 0.824
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 58
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 279870301

1,27987,35
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 35
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.800
chem shift completeness char.chem shift coverage: 0.824
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 59
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 279870301

1,27987,36
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 36
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.667
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 60
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 279870301

1,27987,37
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 37
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 61
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,38
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 38
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.778
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 62
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 279870301

1,27987,39
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 39
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.941
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 279870301

1,27987,40
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 40
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 64
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,41
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 41
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 65
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 279870301

1,27987,42
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 42
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 66
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,43
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 43
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,44
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 44
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.583
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 68
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 279870301

1,27987,45
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 45
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.800
chem shift completeness char.chem shift coverage: 0.824
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 279870301

1,27987,46
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 46
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.700
chem shift completeness char.chem shift coverage: 0.765
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 70
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.625
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 279870301

1,27987,47
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 47
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.571
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,48
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 48
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 2
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,49
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 49
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.833
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 279870301

1,27987,50
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 50
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,51
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 51
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,52
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 52
chem shift completeness char.arom chem shift 13c coverage: 0.600
chem shift completeness char.arom chem shift 1h coverage: 0.600
chem shift completeness char.arom chem shift coverage: 0.600
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.625
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.778
chem shift completeness char.chem shift coverage: 0.722
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.667
chem shift completeness char.sc chem shift 1h coverage: 0.714
chem shift completeness char.sc chem shift coverage: 0.692
chem shift completeness char.sf id: 279870301

1,27987,53
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 53
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 279870301

1,27987,54
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 54
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,55
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 55
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 279870301

1,27987,56
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 56
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.636
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 10
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 279870301

1,27987,57
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 57
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 279870301

1,27987,58
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 58
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,59
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 59
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.167
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.182
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.250
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 279870301

1,27987,60
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 60
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 279870301

1,27987,61
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 61
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.444
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.231
chem shift completeness char.sf id: 279870301

1,27987,62
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 62
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.917
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,63
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 63
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.583
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 279870301

1,27987,64
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 64
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.941
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,65
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 65
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.941
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,66
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 66
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.583
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 279870301

1,27987,67
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 67
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.625
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.556
chem shift completeness char.sf id: 279870301

1,27987,68
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 68
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,69
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 69
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 23
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 279870301

1,27987,70
type: chem shift completeness char
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 27987
chem shift completeness char.id: 70
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.400
chem shift completeness char.chem shift coverage: 0.636
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 279870301

1,27987
type: chem shift completeness list
of datablock: info:bmrb/27987
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 27987
chem shift completeness list.arom chem shift 13c fraction: 9/32
chem shift completeness list.arom chem shift 15n fraction: 1/1
chem shift completeness list.arom chem shift 1h fraction: 10/33
chem shift completeness list.arom chem shift fraction: 20/66
chem shift completeness list.assigned residue coverage: 1.000
chem shift completeness list.bb chem shift 13c fraction: 135/201
chem shift completeness list.bb chem shift 15n fraction: 63/67
chem shift completeness list.bb chem shift 1h fraction: 137/146
chem shift completeness list.bb chem shift fraction: 335/414
chem shift completeness list.chem shift 13c fraction: 224/314
chem shift completeness list.chem shift 15n fraction: 66/72
chem shift completeness list.chem shift 1h fraction: 373/446
chem shift completeness list.chem shift fraction: 663/832
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr27987_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 15/16
chem shift completeness list.methyl chem shift 1h fraction: 14/16
chem shift completeness list.methyl chem shift fraction: 29/32
chem shift completeness list.output file name: bmr27987_chem_shift_completeness.str
chem shift completeness list.queried date: 2020-07-22Z
chem shift completeness list.sc chem shift 13c fraction: 149/174
chem shift completeness list.sc chem shift 15n fraction: 3/5
chem shift completeness list.sc chem shift 1h fraction: 236/300
chem shift completeness list.sc chem shift fraction: 388/479
chem shift completeness list.sf category: chem_shift_completeness_list
chem shift completeness list.sf framecode: chem_shift_completeness_list_1
chem shift completeness list.sf id: 279870301

1,27987,1
type: chem shift experiment
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chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 27987
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

1,27987,2
type: chem shift experiment
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chem shift experiment.entry id: 27987
chem shift experiment.experiment id: 2
chem shift experiment.experiment name: 3D HNCA
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chem shift experiment.sample state: isotropic

1,27987,3
type: chem shift experiment
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chem shift experiment.entry id: 27987
chem shift experiment.experiment id: 3
chem shift experiment.experiment name: 3D HNCACB
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1,27987,4
type: chem shift experiment
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chem shift experiment.experiment id: 4
chem shift experiment.experiment name: 3D HN(CO)CA
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1,27987,5
type: chem shift experiment
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chem shift experiment.experiment id: 5
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1,27987,6
type: chem shift experiment
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chem shift experiment.experiment id: 6
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1,27987,7
type: chem shift experiment
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chem shift experiment.experiment id: 7
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1,27987,8
type: chem shift experiment
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chem shift experiment.experiment id: 8
chem shift experiment.experiment name: 2D 1H-1H NOESY
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1,27987,9
type: chem shift experiment
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chem shift experiment.sample id: 0
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1,27987,10
type: chem shift experiment
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chem shift experiment.experiment id: 10
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1,27987,11
type: chem shift experiment
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chem shift experiment.assigned chem shift list id: 1
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chem shift experiment.experiment id: 11
chem shift experiment.experiment name: 2D 1H-1H TOCSY
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,27987,12
type: chem shift experiment
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chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 27987
chem shift experiment.experiment id: 12
chem shift experiment.experiment name: 2D 1H-1H NOESY
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

13,C,1,27987,DSS
type: chem shift ref
of datablock: info:bmrb/27987
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: 27987
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: 0.0
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,1,27987,DSS
type: chem shift ref
of datablock: info:bmrb/27987
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: 27987
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: 0.0
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1.000000
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: direct

15,N,1,27987,DSS
type: chem shift ref
of datablock: info:bmrb/27987
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: 27987
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: 0.0
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

27987,1
type: chem shift reference
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reference to entry: entry
chem shift reference.entry id: 27987
chem shift reference.id: 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chemical_shift_reference_1

27987,1
type: citation
of datablock: info:bmrb/27987
reference to entry: entry
citation.entry id: 27987
citation.id: 1
citation.class: entry citation
citation.doi: 10.1007/s12104-019-09916-8
citation.journal abbrev: Biomol. NMR Assign.
citation.journal issn: 1874-2718
citation.journal issue: 1
citation.journal name full: Biomolecular NMR assignments
citation.journal volume: 14
citation.page first: 31
citation.page last: 36
citation.pubmed id: 31617060
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: Backbone, side chain and heme resonance assignment of the triheme cytochrome PpcA from Geobacter metallireducens in the oxidized state.
citation.type: journal
citation.year: 2019

info:doi/10.1007/s12104-019-09916-8

doi:10.1007/s12104-019-09916-8

urn:ISSN:1874-2718

issn:1874-2718

info:pmid/31617060

pubmed:31617060

1,27987,1
type: citation author
of datablock: info:bmrb/27987
citation author.citation id: 1
citation author.entry id: 27987
citation author.ordinal: 1
citation author.family name: Portela
citation author.given name: Pilar
citation author.middle initials: C.
citation author.pdbx name: Portela, P.C.

1,27987,2
type: citation author
of datablock: info:bmrb/27987
citation author.citation id: 1
citation author.entry id: 27987
citation author.ordinal: 2
citation author.family name: Dantas
citation author.given name: Joana
citation author.middle initials: M.
citation author.pdbx name: Dantas, J.M.

1,27987,3
type: citation author
of datablock: info:bmrb/27987
citation author.citation id: 1
citation author.entry id: 27987
citation author.ordinal: 3
citation author.family name: Salgueiro
citation author.given name: Carlos
citation author.middle initials: A.
citation author.pdbx name: Salgueiro, C.A.

27987,assigned chemical shifts
type: data set
of datablock: info:bmrb/27987
reference to entry: entry
data set.entry id: 27987
data set.type: assigned_chemical_shifts
data set.count: 1

27987,13C chemical shifts
type: datum
of datablock: info:bmrb/27987
reference to entry: entry
datum.entry id: 27987
datum.type: 13C chemical shifts
datum.count: 263

27987,15N chemical shifts
type: datum
of datablock: info:bmrb/27987
reference to entry: entry
datum.entry id: 27987
datum.type: 15N chemical shifts
datum.count: 66

27987,1H chemical shifts
type: datum
of datablock: info:bmrb/27987
reference to entry: entry
datum.entry id: 27987
datum.type: 1H chemical shifts
datum.count: 465

27987,1
type: entity
of datablock: info:bmrb/27987
reference to entry: entry
entity.entry id: 27987
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 7832.995
entity.name: PpcA Polypeptide
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.number of monomers: 70
entity.paramagnetic: yes
entity.parent entity id: 0
entity.polymer seq one letter code: ADELTFKAKNGDVKFPHKKHQQVVGNCKKCHEKGPGKIEGFGKDWAHKTCKGCHEEMKKGPTKCGDCHKK
entity.polymer seq one letter code can: ADELTFKAKNGDVKFPHKKHQQVVGNCKKCHEKGPGKIEGFGKDWAHKTCKGCHEEMKKGPTKCGDCHKK
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: PpcA_Polypeptide
entity.thiol state: all other bound
entity.type: polymer

27987,2
type: entity
of datablock: info:bmrb/27987
reference to entry: entry
entity.entry id: 27987
entity.id: 2
entity.bmrb code: HEM
entity.formula weight: 616.487
entity.name: PROTOPORPHYRIN IX CONTAINING FE
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

1,27987,1
type: entity assembly
of datablock: info:bmrb/27987
entity assembly.assembly id: 1
entity assembly.entry id: 27987
entity assembly.id: 1
entity assembly.asym id: A
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: PpcA_Polypeptide
entity assembly.entity id: 1
entity assembly.entity label: PpcA_Polypeptide
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,27987,2
type: entity assembly
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entity assembly.assembly id: 1
entity assembly.entry id: 27987
entity assembly.id: 2
entity assembly.asym id: A
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: HEM 1
entity assembly.entity id: 2
entity assembly.entity label: entity_HEM
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,27987,3
type: entity assembly
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entity assembly.assembly id: 1
entity assembly.entry id: 27987
entity assembly.id: 3
entity assembly.asym id: A
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: HEM 2
entity assembly.entity id: 2
entity assembly.entity label: entity_HEM
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,27987,4
type: entity assembly
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entity assembly.assembly id: 1
entity assembly.entry id: 27987
entity assembly.id: 4
entity assembly.asym id: A
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: HEM 3
entity assembly.entity id: 2
entity assembly.entity label: entity_HEM
entity assembly.experimental data reported: yes
entity assembly.physical state: native

2,27987,PROTOPORPHYRIN IX CONTAINING FE,BMRB
type: entity common name
of datablock: info:bmrb/27987
entity common name.entity id: 2
entity common name.entry id: 27987
entity common name.name: PROTOPORPHYRIN IX CONTAINING FE
entity common name.type: BMRB

1,27987,1
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 27987
entity comp index.id: 1
entity comp index.comp id: ALA

1,27987,2
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entity comp index.comp id: ASP

1,27987,3
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1,27987,4
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entity comp index.entry id: 27987
entity comp index.id: 4
entity comp index.comp id: LEU

1,27987,5
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entity comp index.id: 5
entity comp index.comp id: THR

1,27987,6
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1,27987,7
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1,27987,8
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1,27987,9
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1,27987,11
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1,27987,12
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1,27987,14
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1,27987,15
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1,27987,16
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1,27987,20
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1,27987,23
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1,27987,25
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1,27987,26
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1,27987,30
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taxonomy:562

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entity natural src.kingdom: Not applicable
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info:taxonomy/269799

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entity poly seq.mon id: HIS

1,27987,69
type: entity poly seq
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entity poly seq.num: 69
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entity poly seq.mon id: LYS

1,27987,70
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2,27987,BMRB
type: entity systematic name
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entity systematic name.entity id: 2
entity systematic name.entry id: 27987
entity systematic name.naming system: BMRB
entity systematic name.name: PROTOPORPHYRIN IX CONTAINING FE

2,27987,Three letter code
type: entity systematic name
of datablock: info:bmrb/27987
entity systematic name.entity id: 2
entity systematic name.entry id: 27987
entity systematic name.naming system: Three letter code
entity systematic name.name: HEM

http://bmrbpub.pdbj.org/rdf/bmr27987/entry/27987
type: entry
of datablock: info:bmrb/27987
entry.id: 27987
entry.accession date: 2019-07-23Z
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2019-07-23Z
entry.nmr star version: 3.2.6.0
entry.original nmr star version: 3.1
entry.original release date: 2019-07-23Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information
entry.submission date: 2019-07-23Z
entry.title: Backbone, side chain and heme resonance assignment of the triheme cytochrome PpcA from Geobacter metallireducens in the oxidized state
entry.type: macromolecule
entry.version type: original

27987,1
type: entry author
of datablock: info:bmrb/27987
reference to entry: entry
entry author.entry id: 27987
entry author.ordinal: 1
entry author.family name: Portela
entry author.given name: Pilar
entry author.middle initials: C.
entry author.pdbx name: Portela, P.C.

27987,2
type: entry author
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reference to entry: entry
entry author.entry id: 27987
entry author.ordinal: 2
entry author.family name: Dantas
entry author.given name: Joana
entry author.middle initials: M.
entry author.pdbx name: Dantas, J.M.

27987,3
type: entry author
of datablock: info:bmrb/27987
reference to entry: entry
entry author.entry id: 27987
entry author.ordinal: 3
entry author.family name: Salgueiro
entry author.given name: Carlos
entry author.middle initials: A.
entry author.pdbx name: Salgueiro, C.A.

27987,1,1
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27987,1,2
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27987,1,3
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27987,1,4
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27987,1,5
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27987,1,6
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27987,1,7
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27987,1,8
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27987,1,9
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27987,1,10
type: experiment
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27987,1,11
type: experiment
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27987,1,12
type: experiment
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27987,1
type: experiment list
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27987,1
type: nmr spectrometer
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nmr spectrometer.field strength: 600
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: Avance
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27987,1
type: nmr spectrometer list
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27987,1,spectrometer 1,1
type: nmr spectrometer view
of datablock: info:bmrb/27987
nmr spectrometer view.entry id: 27987
nmr spectrometer view.id: 1
nmr spectrometer view.name: spectrometer_1
nmr spectrometer view.nmr spectrometer list id: 1
nmr spectrometer view.citation id: 0
nmr spectrometer view.field strength: 600
nmr spectrometer view.manufacturer: Bruker
nmr spectrometer view.model: Avance

27987,2
type: release
of datablock: info:bmrb/27987
reference to entry: entry
release.entry id: 27987
release.release number: 2
release.author: BMRB
release.date: 2020-03-30Z
release.detail: update entry citation
release.submission date: 2019-07-23Z
release.type: update

27987,1
type: release
of datablock: info:bmrb/27987
reference to entry: entry
release.entry id: 27987
release.release number: 1
release.author: author
release.date: 2019-11-06Z
release.detail: original release
release.submission date: 2019-07-23Z
release.type: original

27987,1
type: sample
of datablock: info:bmrb/27987
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sample.sf category: sample
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sample.solvent system: 92% H2O/8% D2O
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27987,2
type: sample
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27987,3
type: sample
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27987,1,1
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sample component.entity label: PpcA_Polypeptide
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27987,2,1
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27987,3,1
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27987,4,1
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27987,5,1
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27987,6,1
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27987,7,2
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27987,8,2
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27987,9,2
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27987,10,2
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27987,11,2
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27987,12,2
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27987,13,3
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27987,14,3
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27987,15,3
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27987,16,3
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27987,17,3
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27987,1
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27987,1,ionic strength
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27987,1,pH
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27987,1,pressure
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27987,1,temperature
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27987,1
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27987,1,chemical shift assignment
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27987,Goddard,1
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vendor.name: Goddard
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