info:bmrb/7296
type: datablock
references: doi:10.13018/BMR7296
alternative label: bmr7296
title: Solution Conformation of the His 47 to Ala 47 Mutant of Pseudomonas stutzeri ZoBell Ferrocytochrome c-551
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assembly.details: Histidine 47 to alanine 47 mutant of cyt c-551
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atom chem shift.val: 0.977
atom chem shift.val err: 0.03

1,7296,33
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,34
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,35
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,36
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,37
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,38
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,39
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,40
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,41
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,42
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,43
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,44
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,45
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,46
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,47
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,48
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,49
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,50
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,51
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,52
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,53
type: atom chem shift
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1,7296,54
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,55
type: atom chem shift
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1,7296,56
type: atom chem shift
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1,7296,57
type: atom chem shift
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1,7296,58
type: atom chem shift
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1,7296,59
type: atom chem shift
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1,7296,60
type: atom chem shift
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1,7296,61
type: atom chem shift
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1,7296,62
type: atom chem shift
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1,7296,63
type: atom chem shift
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1,7296,64
type: atom chem shift
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1,7296,65
type: atom chem shift
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1,7296,66
type: atom chem shift
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1,7296,67
type: atom chem shift
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1,7296,68
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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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: 2.656
atom chem shift.val err: 0.03

1,7296,69
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 69
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 11
atom chem shift.val: 2.308
atom chem shift.val err: 0.03

1,7296,70
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 70
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.308
atom chem shift.val err: 0.03

1,7296,71
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 71
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.214
atom chem shift.val err: 0.03

1,7296,72
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 72
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atom chem shift.val: 3.924
atom chem shift.val err: 0.03

1,7296,73
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.091
atom chem shift.val err: 0.03

1,7296,74
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.89
atom chem shift.val err: 0.03

1,7296,75
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.689
atom chem shift.val err: 0.03

1,7296,76
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.279
atom chem shift.val err: 0.03

1,7296,77
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.025
atom chem shift.val err: 0.03

1,7296,78
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.175
atom chem shift.val err: 0.03

1,7296,79
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.132
atom chem shift.val err: 0.03

1,7296,80
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.132
atom chem shift.val err: 0.03

1,7296,81
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.132
atom chem shift.val err: 0.03

1,7296,82
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.903
atom chem shift.val err: 0.03

1,7296,83
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.187
atom chem shift.val err: 0.03

1,7296,84
type: atom chem shift
of datablock: info:bmrb/7296
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atom chem shift.val: 1.718
atom chem shift.val err: 0.03

1,7296,85
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.718
atom chem shift.val err: 0.03

1,7296,86
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,87
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,88
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,89
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,90
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.891
atom chem shift.val err: 0.03

1,7296,91
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,92
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,93
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,94
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,95
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,96
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,97
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,98
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,99
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,100
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,101
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,102
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,103
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,104
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 104
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: 18
atom chem shift.comp id: VAL
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 1.854
atom chem shift.val err: 0.03

1,7296,105
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 105
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: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 18
atom chem shift.comp id: VAL
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 0.737
atom chem shift.val err: 0.03

1,7296,106
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 106
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: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 18
atom chem shift.comp id: VAL
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 0.737
atom chem shift.val err: 0.03

1,7296,107
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 107
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: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 18
atom chem shift.comp id: VAL
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 0.737
atom chem shift.val err: 0.03

1,7296,108
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 108
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: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 18
atom chem shift.comp id: VAL
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 0.795
atom chem shift.val err: 0.03

1,7296,109
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 109
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: HG21
atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 0.795
atom chem shift.val err: 0.03

1,7296,110
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 110
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: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 18
atom chem shift.comp id: VAL
atom chem shift.comp index id: 18
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 18
atom chem shift.val: 0.795
atom chem shift.val err: 0.03

1,7296,111
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 111
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 19
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 7.874
atom chem shift.val err: 0.03

1,7296,112
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 112
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HA
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atom chem shift.atom type: H
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 19
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 4.579
atom chem shift.val err: 0.03

1,7296,113
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 113
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HB2
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atom chem shift.atom type: H
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atom chem shift.auth seq id: 19
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 2.491
atom chem shift.val err: 0.03

1,7296,114
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 114
atom chem shift.ambiguity code: 1
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
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 19
atom chem shift.comp id: ASP
atom chem shift.comp index id: 19
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 19
atom chem shift.val: 2.491
atom chem shift.val err: 0.03

1,7296,115
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 115
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atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.auth atom id: HN
atom chem shift.auth comp id: THR
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atom chem shift.comp id: THR
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 7.381
atom chem shift.val err: 0.03

1,7296,116
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 116
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HA
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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: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 4.446
atom chem shift.val err: 0.03

1,7296,117
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 117
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atom chem shift.comp id: THR
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 3.81
atom chem shift.val err: 0.03

1,7296,118
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 118
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 1.042
atom chem shift.val err: 0.03

1,7296,119
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 119
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: 20
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 20
atom chem shift.val: 1.042
atom chem shift.val err: 0.03

1,7296,120
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.ambiguity code: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 20
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.042
atom chem shift.val err: 0.03

1,7296,121
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 121
atom chem shift.ambiguity code: 1
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atom chem shift.auth atom id: HN
atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 21
atom chem shift.val: 8.732
atom chem shift.val err: 0.03

1,7296,122
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 21
atom chem shift.val: 3.568
atom chem shift.val err: 0.03

1,7296,123
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 123
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 21
atom chem shift.val: 1.631
atom chem shift.val err: 0.03

1,7296,124
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 21
atom chem shift.val: 1.808
atom chem shift.val err: 0.03

1,7296,125
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 21
atom chem shift.val: 1.154
atom chem shift.val err: 0.03

1,7296,126
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 126
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.154
atom chem shift.val err: 0.03

1,7296,127
type: atom chem shift
of datablock: info:bmrb/7296
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: 21
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.631
atom chem shift.val err: 0.03

1,7296,128
type: atom chem shift
of datablock: info:bmrb/7296
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: 21
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.631
atom chem shift.val err: 0.03

1,7296,129
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 21
atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.884
atom chem shift.val err: 0.03

1,7296,130
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: LYS
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atom chem shift.val: 2.884
atom chem shift.val err: 0.03

1,7296,131
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: MET
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.345
atom chem shift.val err: 0.03

1,7296,132
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: MET
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.394
atom chem shift.val err: 0.03

1,7296,133
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: MET
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.732
atom chem shift.val err: 0.03

1,7296,134
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: MET
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 22
atom chem shift.val: 1.386
atom chem shift.val err: 0.03

1,7296,135
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: MET
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 22
atom chem shift.val: 2.038
atom chem shift.val err: 0.03

1,7296,136
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: MET
atom chem shift.comp index id: 22
atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.038
atom chem shift.val err: 0.03

1,7296,137
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.091
atom chem shift.val err: 0.03

1,7296,138
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
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atom chem shift.val: 3.967
atom chem shift.val err: 0.03

1,7296,139
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.935
atom chem shift.val err: 0.03

1,7296,140
type: atom chem shift
of datablock: info:bmrb/7296
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atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 23
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 23
atom chem shift.val: 1.222
atom chem shift.val err: 0.03

1,7296,141
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 141
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.222
atom chem shift.val err: 0.03

1,7296,142
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 142
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.222
atom chem shift.val err: 0.03

1,7296,143
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.654
atom chem shift.val err: 0.03

1,7296,144
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,145
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,146
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 6.595
atom chem shift.val err: 0.03

1,7296,147
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.773
atom chem shift.val err: 0.03

1,7296,148
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,149
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.598
atom chem shift.val err: 0.03

1,7296,150
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.975
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1,7296,151
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.48
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1,7296,152
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -0.065
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1,7296,153
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,154
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,155
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,156
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,157
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,158
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,159
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,160
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,161
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,162
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,163
type: atom chem shift
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1,7296,164
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,165
type: atom chem shift
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1,7296,166
type: atom chem shift
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1,7296,167
type: atom chem shift
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1,7296,168
type: atom chem shift
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1,7296,169
type: atom chem shift
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1,7296,170
type: atom chem shift
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1,7296,171
type: atom chem shift
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1,7296,172
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,173
type: atom chem shift
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1,7296,174
type: atom chem shift
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1,7296,175
type: atom chem shift
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1,7296,176
type: atom chem shift
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 28
atom chem shift.val: 1.25
atom chem shift.val err: 0.03

1,7296,177
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.25
atom chem shift.val err: 0.03

1,7296,178
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 28
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atom chem shift.val: 1.545
atom chem shift.val err: 0.03

1,7296,179
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.545
atom chem shift.val err: 0.03

1,7296,180
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,181
type: atom chem shift
of datablock: info:bmrb/7296
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atom chem shift.val err: 0.03

1,7296,182
type: atom chem shift
of datablock: info:bmrb/7296
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atom chem shift.val: 6.974
atom chem shift.val err: 0.03

1,7296,183
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.26
atom chem shift.val err: 0.03

1,7296,184
type: atom chem shift
of datablock: info:bmrb/7296
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atom chem shift.val: 2.322
atom chem shift.val err: 0.03

1,7296,185
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,186
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.064
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1,7296,187
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,188
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,189
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,190
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,191
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,192
type: atom chem shift
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1,7296,193
type: atom chem shift
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1,7296,194
type: atom chem shift
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1,7296,195
type: atom chem shift
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1,7296,196
type: atom chem shift
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1,7296,197
type: atom chem shift
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1,7296,198
type: atom chem shift
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1,7296,199
type: atom chem shift
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1,7296,200
type: atom chem shift
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1,7296,201
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1,7296,202
type: atom chem shift
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1,7296,203
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1,7296,204
type: atom chem shift
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1,7296,205
type: atom chem shift
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1,7296,206
type: atom chem shift
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1,7296,207
type: atom chem shift
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1,7296,208
type: atom chem shift
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1,7296,209
type: atom chem shift
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1,7296,210
type: atom chem shift
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1,7296,211
type: atom chem shift
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1,7296,212
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 212
atom chem shift.ambiguity code: 4
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atom chem shift.atom id: HG3
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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: 33
atom chem shift.comp id: LYS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 1.435
atom chem shift.val err: 0.03

1,7296,213
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 213
atom chem shift.ambiguity code: 4
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atom chem shift.atom type: H
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 1.67
atom chem shift.val err: 0.03

1,7296,214
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 214
atom chem shift.ambiguity code: 4
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atom chem shift.atom type: H
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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: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 1.67
atom chem shift.val err: 0.03

1,7296,215
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 215
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: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 2.877
atom chem shift.val err: 0.03

1,7296,216
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 216
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 2.877
atom chem shift.val err: 0.03

1,7296,217
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 217
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 7.433
atom chem shift.val err: 0.03

1,7296,218
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 4.825
atom chem shift.val err: 0.03

1,7296,219
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 219
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 34
atom chem shift.val: 2.486
atom chem shift.val err: 0.03

1,7296,220
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 220
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 34
atom chem shift.val: 2.883
atom chem shift.val err: 0.03

1,7296,221
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 221
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 7.857
atom chem shift.val err: 0.03

1,7296,222
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 222
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 34
atom chem shift.val: 8.777
atom chem shift.val err: 0.03

1,7296,223
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: ALA
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atom chem shift.seq id: 35
atom chem shift.val: 7.528
atom chem shift.val err: 0.03

1,7296,224
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: ALA
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atom chem shift.val: 4.259
atom chem shift.val err: 0.03

1,7296,225
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.val: 1.519
atom chem shift.val err: 0.03

1,7296,226
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.519
atom chem shift.val err: 0.03

1,7296,227
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.val: 1.519
atom chem shift.val err: 0.03

1,7296,228
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.918
atom chem shift.val err: 0.03

1,7296,229
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 229
atom chem shift.ambiguity code: 2
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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: 4.054
atom chem shift.val err: 0.03

1,7296,230
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.val: 3.941
atom chem shift.val err: 0.03

1,7296,231
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.val: 7.63
atom chem shift.val err: 0.03

1,7296,232
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.043
atom chem shift.val err: 0.03

1,7296,233
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.315
atom chem shift.val err: 0.03

1,7296,234
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.013
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1,7296,235
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.013
atom chem shift.val err: 0.03

1,7296,236
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.013
atom chem shift.val err: 0.03

1,7296,237
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.013
atom chem shift.val err: 0.03

1,7296,238
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.val err: 0.03

1,7296,239
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 37
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atom chem shift.val: 1.013
atom chem shift.val err: 0.03

1,7296,240
type: atom chem shift
of datablock: info:bmrb/7296
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.seq id: 38
atom chem shift.val: 9.031
atom chem shift.val err: 0.03

1,7296,241
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.197
atom chem shift.val err: 0.03

1,7296,242
type: atom chem shift
of datablock: info:bmrb/7296
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: 38
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atom chem shift.val: 2.082
atom chem shift.val err: 0.03

1,7296,243
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.082
atom chem shift.val err: 0.03

1,7296,244
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 38
atom chem shift.val: 2.369
atom chem shift.val err: 0.03

1,7296,245
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.369
atom chem shift.val err: 0.03

1,7296,246
type: atom chem shift
of datablock: info:bmrb/7296
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.val: 9.212
atom chem shift.val err: 0.03

1,7296,247
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 39
atom chem shift.val: 4.244
atom chem shift.val err: 0.03

1,7296,248
type: atom chem shift
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atom chem shift.val err: 0.03

1,7296,249
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,250
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,251
type: atom chem shift
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1,7296,252
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1,7296,253
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1,7296,254
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1,7296,255
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1,7296,256
type: atom chem shift
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1,7296,257
type: atom chem shift
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1,7296,258
type: atom chem shift
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1,7296,259
type: atom chem shift
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1,7296,260
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1,7296,261
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1,7296,262
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1,7296,263
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1,7296,264
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1,7296,265
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1,7296,266
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1,7296,267
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1,7296,268
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1,7296,269
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1,7296,270
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1,7296,271
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1,7296,272
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1,7296,273
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1,7296,274
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1,7296,275
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1,7296,276
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1,7296,277
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1,7296,278
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1,7296,279
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1,7296,280
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1,7296,281
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1,7296,285
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,286
type: atom chem shift
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1,7296,287
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1,7296,288
type: atom chem shift
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1,7296,289
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1,7296,290
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1,7296,291
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1,7296,292
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1,7296,293
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1,7296,294
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1,7296,296
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1,7296,299
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1,7296,300
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1,7296,301
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1,7296,302
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1,7296,303
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1,7296,304
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1,7296,305
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1,7296,306
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1,7296,307
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1,7296,308
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1,7296,309
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atom chem shift.val err: 0.03

1,7296,320
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 320
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 3.008
atom chem shift.val err: 0.03

1,7296,321
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 321
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 49
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 49
atom chem shift.val: 3.108
atom chem shift.val err: 0.03

1,7296,322
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 322
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atom chem shift.comp id: ASN
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: 8.32
atom chem shift.val err: 0.03

1,7296,323
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 323
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atom chem shift.comp id: ASN
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: 4.519
atom chem shift.val err: 0.03

1,7296,324
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 324
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atom chem shift.comp id: ASN
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: 2.726
atom chem shift.val err: 0.03

1,7296,325
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 325
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: ASN
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: 2.635
atom chem shift.val err: 0.03

1,7296,326
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 326
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atom chem shift.comp id: ASN
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: 7.121
atom chem shift.val err: 0.03

1,7296,327
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 327
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: ASN
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: 7.342
atom chem shift.val err: 0.03

1,7296,328
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 328
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLY
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: 7.496
atom chem shift.val err: 0.03

1,7296,329
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 329
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 3.62
atom chem shift.val err: 0.03

1,7296,330
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 330
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: GLY
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 51
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 51
atom chem shift.val: 2.045
atom chem shift.val err: 0.03

1,7296,331
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 331
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: SER
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 52
atom chem shift.val: 7.167
atom chem shift.val err: 0.03

1,7296,332
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 332
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atom chem shift.comp id: SER
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: 4.293
atom chem shift.val err: 0.03

1,7296,333
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 333
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: SER
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: 2.733
atom chem shift.val err: 0.03

1,7296,334
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 334
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: SER
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: 2.92
atom chem shift.val err: 0.03

1,7296,335
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 335
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atom chem shift.comp id: GLN
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 53
atom chem shift.val: 8.114
atom chem shift.val err: 0.03

1,7296,336
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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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: 4.315
atom chem shift.val err: 0.03

1,7296,337
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 53
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 53
atom chem shift.val: 1.951
atom chem shift.val err: 0.03

1,7296,338
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.val: 1.951
atom chem shift.val err: 0.03

1,7296,339
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.272
atom chem shift.val err: 0.03

1,7296,340
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.097
atom chem shift.val err: 0.03

1,7296,341
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.474
atom chem shift.val err: 0.03

1,7296,342
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.val: 6.829
atom chem shift.val err: 0.03

1,7296,343
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.val: 8.255
atom chem shift.val err: 0.03

1,7296,344
type: atom chem shift
of datablock: info:bmrb/7296
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: 54
atom chem shift.val: 3.924
atom chem shift.val err: 0.03

1,7296,345
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 54
atom chem shift.val: 4.219
atom chem shift.val err: 0.03

1,7296,346
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
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atom chem shift.val: 10.573
atom chem shift.val err: 0.03

1,7296,347
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 55
atom chem shift.val: 3.762
atom chem shift.val err: 0.03

1,7296,348
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 348
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 55
atom chem shift.val: 2.433
atom chem shift.val err: 0.03

1,7296,349
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 349
atom chem shift.ambiguity code: 2
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atom chem shift.atom id: HG11
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atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 55
atom chem shift.val: 0.634
atom chem shift.val err: 0.03

1,7296,350
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 350
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 55
atom chem shift.comp id: VAL
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: 0.634
atom chem shift.val err: 0.03

1,7296,351
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 351
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 55
atom chem shift.comp id: VAL
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: 0.634
atom chem shift.val err: 0.03

1,7296,352
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 352
atom chem shift.ambiguity code: 2
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atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 55
atom chem shift.comp id: VAL
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: 1.048
atom chem shift.val err: 0.03

1,7296,353
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 353
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atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 55
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.048
atom chem shift.val err: 0.03

1,7296,354
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 354
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
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: 1.048
atom chem shift.val err: 0.03

1,7296,355
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 355
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atom chem shift.atom type: H
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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: 56
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 10.724
atom chem shift.val err: 0.03

1,7296,356
type: atom chem shift
of datablock: info:bmrb/7296
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atom chem shift.val: 4.634
atom chem shift.val err: 0.03

1,7296,357
type: atom chem shift
of datablock: info:bmrb/7296
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atom chem shift.val: 3.635
atom chem shift.val err: 0.03

1,7296,358
type: atom chem shift
of datablock: info:bmrb/7296
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atom chem shift.val err: 0.03

1,7296,359
type: atom chem shift
of datablock: info:bmrb/7296
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atom chem shift.val err: 0.03

1,7296,360
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,361
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,362
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of datablock: info:bmrb/7296
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1,7296,363
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,364
type: atom chem shift
of datablock: info:bmrb/7296
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atom chem shift.val err: 0.03

1,7296,365
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,366
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,367
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,368
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,369
type: atom chem shift
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1,7296,370
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1,7296,371
type: atom chem shift
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1,7296,372
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of datablock: info:bmrb/7296
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1,7296,373
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1,7296,374
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1,7296,375
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1,7296,376
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1,7296,377
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1,7296,378
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1,7296,379
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1,7296,380
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1,7296,381
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1,7296,384
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atom chem shift.val: 4.138
atom chem shift.val err: 0.03

1,7296,392
type: atom chem shift
of datablock: info:bmrb/7296
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: 3.98
atom chem shift.val err: 0.03

1,7296,393
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.77
atom chem shift.val err: 0.03

1,7296,394
type: atom chem shift
of datablock: info:bmrb/7296
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: 3.697
atom chem shift.val err: 0.03

1,7296,395
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -2.762
atom chem shift.val err: 0.03

1,7296,396
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -0.904
atom chem shift.val err: 0.03

1,7296,397
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -3.667
atom chem shift.val err: 0.03

1,7296,398
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -0.535
atom chem shift.val err: 0.03

1,7296,399
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -2.907
atom chem shift.val err: 0.03

1,7296,400
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -2.907
atom chem shift.val err: 0.03

1,7296,401
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,402
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,403
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,404
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,405
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,406
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,407
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,408
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,409
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,410
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,411
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,412
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,413
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,414
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of datablock: info:bmrb/7296
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1,7296,415
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,416
type: atom chem shift
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1,7296,417
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,418
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,419
type: atom chem shift
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1,7296,420
type: atom chem shift
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1,7296,421
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1,7296,422
type: atom chem shift
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1,7296,423
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1,7296,424
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1,7296,425
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1,7296,426
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1,7296,427
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atom chem shift.val: 3.89
atom chem shift.val err: 0.03

1,7296,428
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 428
atom chem shift.ambiguity code: 1
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: HD2
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 65
atom chem shift.comp id: PRO
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: 3.89
atom chem shift.val err: 0.03

1,7296,429
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 429
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: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 8.064
atom chem shift.val err: 0.03

1,7296,430
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 430
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: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 5.081
atom chem shift.val err: 0.03

1,7296,431
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 431
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: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 2.485
atom chem shift.val err: 0.03

1,7296,432
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 432
atom chem shift.ambiguity code: 1
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: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 0.738
atom chem shift.val err: 0.03

1,7296,433
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 433
atom chem shift.ambiguity code: 1
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: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 0.738
atom chem shift.val err: 0.03

1,7296,434
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 434
atom chem shift.ambiguity code: 1
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: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 0.738
atom chem shift.val err: 0.03

1,7296,435
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 435
atom chem shift.ambiguity code: 1
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: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 0.635
atom chem shift.val err: 0.03

1,7296,436
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 436
atom chem shift.ambiguity code: 1
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: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 0.635
atom chem shift.val err: 0.03

1,7296,437
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 437
atom chem shift.ambiguity code: 1
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: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 66
atom chem shift.comp id: VAL
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 0.635
atom chem shift.val err: 0.03

1,7296,438
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 438
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 67
atom chem shift.comp id: THR
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 9.006
atom chem shift.val err: 0.03

1,7296,439
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 439
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 67
atom chem shift.comp id: THR
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 4.527
atom chem shift.val err: 0.03

1,7296,440
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 440
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: THR
atom chem shift.auth seq id: 67
atom chem shift.comp id: THR
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: 5.08
atom chem shift.val err: 0.03

1,7296,441
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 441
atom chem shift.ambiguity code: 1
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: HG21
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 67
atom chem shift.comp id: THR
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: 1.336
atom chem shift.val err: 0.03

1,7296,442
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 442
atom chem shift.ambiguity code: 1
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: HG21
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 67
atom chem shift.comp id: THR
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: 1.336
atom chem shift.val err: 0.03

1,7296,443
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 443
atom chem shift.ambiguity code: 1
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: HG21
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 67
atom chem shift.comp id: THR
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: 1.336
atom chem shift.val err: 0.03

1,7296,444
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 444
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 9.221
atom chem shift.val err: 0.03

1,7296,445
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 445
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 3.893
atom chem shift.val err: 0.03

1,7296,446
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 446
atom chem shift.ambiguity code: 1
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: HB1
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 2.072
atom chem shift.val err: 0.03

1,7296,447
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 447
atom chem shift.ambiguity code: 1
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
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 2.072
atom chem shift.val err: 0.03

1,7296,448
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 448
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
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: 2.344
atom chem shift.val err: 0.03

1,7296,449
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 449
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 2.344
atom chem shift.val err: 0.03

1,7296,450
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 450
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 69
atom chem shift.comp id: GLU
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 8.652
atom chem shift.val err: 0.03

1,7296,451
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 451
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: GLU
atom chem shift.auth seq id: 69
atom chem shift.comp id: GLU
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: 4.075
atom chem shift.val err: 0.03

1,7296,452
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 452
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 69
atom chem shift.comp id: GLU
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: 1.974
atom chem shift.val err: 0.03

1,7296,453
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 453
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 69
atom chem shift.comp id: GLU
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: 1.974
atom chem shift.val err: 0.03

1,7296,454
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 454
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG1
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 69
atom chem shift.comp id: GLU
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: 2.14
atom chem shift.val err: 0.03

1,7296,455
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 455
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 69
atom chem shift.comp id: GLU
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: 2.365
atom chem shift.val err: 0.03

1,7296,456
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 456
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 70
atom chem shift.comp id: GLU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 7.954
atom chem shift.val err: 0.03

1,7296,457
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 457
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 70
atom chem shift.comp id: GLU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 3.854
atom chem shift.val err: 0.03

1,7296,458
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 458
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 70
atom chem shift.comp id: GLU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 2.558
atom chem shift.val err: 0.03

1,7296,459
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 459
atom chem shift.ambiguity code: 1
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: HB2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 70
atom chem shift.comp id: GLU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 2.558
atom chem shift.val err: 0.03

1,7296,460
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 460
atom chem shift.ambiguity code: 1
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: HG1
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 70
atom chem shift.comp id: GLU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 1.765
atom chem shift.val err: 0.03

1,7296,461
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 461
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 70
atom chem shift.comp id: GLU
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 1.765
atom chem shift.val err: 0.03

1,7296,462
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 462
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: ALA
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 8.741
atom chem shift.val err: 0.03

1,7296,463
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 463
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: ALA
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 4.014
atom chem shift.val err: 0.03

1,7296,464
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 464
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 71
atom chem shift.val: 1.625
atom chem shift.val err: 0.03

1,7296,465
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 465
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atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 71
atom chem shift.val: 1.625
atom chem shift.val err: 0.03

1,7296,466
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 71
atom chem shift.val: 1.625
atom chem shift.val err: 0.03

1,7296,467
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 467
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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: 72
atom chem shift.val: 7.755
atom chem shift.val err: 0.03

1,7296,468
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.val: 4.186
atom chem shift.val err: 0.03

1,7296,469
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 72
atom chem shift.val: 1.943
atom chem shift.val err: 0.03

1,7296,470
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.126
atom chem shift.val err: 0.03

1,7296,471
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.778
atom chem shift.val err: 0.03

1,7296,472
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.778
atom chem shift.val err: 0.03

1,7296,473
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.58
atom chem shift.val err: 0.03

1,7296,474
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.58
atom chem shift.val err: 0.03

1,7296,475
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.972
atom chem shift.val err: 0.03

1,7296,476
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.972
atom chem shift.val err: 0.03

1,7296,477
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.044
atom chem shift.val err: 0.03

1,7296,478
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.885
atom chem shift.val err: 0.03

1,7296,479
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.941
atom chem shift.val err: 0.03

1,7296,480
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,7296,481
type: atom chem shift
of datablock: info:bmrb/7296
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atom chem shift.val err: 0.03

1,7296,482
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,483
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,484
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,485
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,486
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,487
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,488
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,489
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,490
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of datablock: info:bmrb/7296
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1,7296,491
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1,7296,492
type: atom chem shift
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1,7296,493
type: atom chem shift
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1,7296,494
type: atom chem shift
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1,7296,495
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1,7296,496
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1,7296,497
type: atom chem shift
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atom chem shift.seq id: 75
atom chem shift.val: 8.873
atom chem shift.val err: 0.03

1,7296,500
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 500
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 75
atom chem shift.comp id: ALA
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 4.082
atom chem shift.val err: 0.03

1,7296,501
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 501
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB1
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 75
atom chem shift.comp id: ALA
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 1.799
atom chem shift.val err: 0.03

1,7296,502
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 502
atom chem shift.ambiguity code: 1
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: HB1
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 75
atom chem shift.comp id: ALA
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 1.799
atom chem shift.val err: 0.03

1,7296,503
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 503
atom chem shift.ambiguity code: 1
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: HB1
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 75
atom chem shift.comp id: ALA
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 1.799
atom chem shift.val err: 0.03

1,7296,504
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 504
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HN
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 76
atom chem shift.comp id: GLU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 8.517
atom chem shift.val err: 0.03

1,7296,505
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 505
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 76
atom chem shift.comp id: GLU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 4.051
atom chem shift.val err: 0.03

1,7296,506
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 506
atom chem shift.ambiguity code: 1
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: HB1
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 76
atom chem shift.comp id: GLU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 2.261
atom chem shift.val err: 0.03

1,7296,507
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 507
atom chem shift.ambiguity code: 1
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: HB2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 76
atom chem shift.comp id: GLU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 2.261
atom chem shift.val err: 0.03

1,7296,508
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 508
atom chem shift.ambiguity code: 1
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: HG1
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 76
atom chem shift.comp id: GLU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 2.643
atom chem shift.val err: 0.03

1,7296,509
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 509
atom chem shift.ambiguity code: 1
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: HG2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 76
atom chem shift.comp id: GLU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 76
atom chem shift.val: 2.643
atom chem shift.val err: 0.03

1,7296,510
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 510
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: TRP
atom chem shift.auth seq id: 77
atom chem shift.comp id: TRP
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 8.489
atom chem shift.val err: 0.03

1,7296,511
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 511
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: TRP
atom chem shift.auth seq id: 77
atom chem shift.comp id: TRP
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 4.432
atom chem shift.val err: 0.03

1,7296,512
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 512
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: HB1
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 77
atom chem shift.comp id: TRP
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 3.412
atom chem shift.val err: 0.03

1,7296,513
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 513
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
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atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 77
atom chem shift.comp id: TRP
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 3.812
atom chem shift.val err: 0.03

1,7296,514
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 514
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD1
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 77
atom chem shift.comp id: TRP
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 7.328
atom chem shift.val err: 0.03

1,7296,515
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 515
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE1
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 77
atom chem shift.comp id: TRP
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 10.327
atom chem shift.val err: 0.03

1,7296,516
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 516
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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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: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 7.648
atom chem shift.val err: 0.03

1,7296,517
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 517
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HZ2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HZ2
atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 77
atom chem shift.comp id: TRP
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 7.03
atom chem shift.val err: 0.03

1,7296,518
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 518
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HZ3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 77
atom chem shift.comp id: TRP
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 6.182
atom chem shift.val err: 0.03

1,7296,519
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 519
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HH2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: TRP
atom chem shift.auth seq id: 77
atom chem shift.comp id: TRP
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 5.643
atom chem shift.val err: 0.03

1,7296,520
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 520
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: 78
atom chem shift.comp id: VAL
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 9.225
atom chem shift.val err: 0.03

1,7296,521
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 521
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: 78
atom chem shift.comp id: VAL
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 2.732
atom chem shift.val err: 0.03

1,7296,522
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 522
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: 78
atom chem shift.comp id: VAL
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 2.524
atom chem shift.val err: 0.03

1,7296,523
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 523
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: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 78
atom chem shift.comp id: VAL
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 1.478
atom chem shift.val err: 0.03

1,7296,524
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 524
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: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 78
atom chem shift.comp id: VAL
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 1.478
atom chem shift.val err: 0.03

1,7296,525
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 525
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: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 78
atom chem shift.comp id: VAL
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 1.478
atom chem shift.val err: 0.03

1,7296,526
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 526
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
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atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 78
atom chem shift.comp id: VAL
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 0.893
atom chem shift.val err: 0.03

1,7296,527
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 527
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
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atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 78
atom chem shift.comp id: VAL
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 0.893
atom chem shift.val err: 0.03

1,7296,528
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 528
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
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atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 78
atom chem shift.comp id: VAL
atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 78
atom chem shift.val: 0.893
atom chem shift.val err: 0.03

1,7296,529
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 529
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: H
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atom chem shift.auth seq id: 79
atom chem shift.comp id: LEU
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 7.776
atom chem shift.val err: 0.03

1,7296,530
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 530
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 79
atom chem shift.comp id: LEU
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 3.846
atom chem shift.val err: 0.03

1,7296,531
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 531
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB1
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 79
atom chem shift.comp id: LEU
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 1.6
atom chem shift.val err: 0.03

1,7296,532
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 532
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 79
atom chem shift.comp id: LEU
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 1.955
atom chem shift.val err: 0.03

1,7296,533
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 533
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 79
atom chem shift.comp id: LEU
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 1.955
atom chem shift.val err: 0.03

1,7296,534
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 534
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 79
atom chem shift.comp id: LEU
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 0.902
atom chem shift.val err: 0.03

1,7296,535
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 535
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 79
atom chem shift.val: 0.902
atom chem shift.val err: 0.03

1,7296,536
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 0.902
atom chem shift.val err: 0.03

1,7296,537
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 0.943
atom chem shift.val err: 0.03

1,7296,538
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
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atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 0.943
atom chem shift.val err: 0.03

1,7296,539
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 79
atom chem shift.val: 0.943
atom chem shift.val err: 0.03

1,7296,540
type: atom chem shift
of datablock: info:bmrb/7296
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: 80
atom chem shift.val: 7.706
atom chem shift.val err: 0.03

1,7296,541
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.417
atom chem shift.val err: 0.03

1,7296,542
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.009
atom chem shift.val err: 0.03

1,7296,543
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.108
atom chem shift.val err: 0.03

1,7296,544
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.25
atom chem shift.val err: 0.03

1,7296,545
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.97
atom chem shift.val err: 0.03

1,7296,546
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.875
atom chem shift.val err: 0.03

1,7296,547
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.5
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1,7296,548
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.254
atom chem shift.val err: 0.03

1,7296,549
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.17
atom chem shift.val err: 0.03

1,7296,550
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
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1,7296,551
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,552
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,553
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,554
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,555
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,556
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,557
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,558
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,559
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,560
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,561
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,562
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of datablock: info:bmrb/7296
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1,7296,563
type: atom chem shift
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1,7296,564
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,565
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,566
type: atom chem shift
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1,7296,567
type: atom chem shift
of datablock: info:bmrb/7296
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1,7296,568
type: atom chem shift
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1,7296,569
type: atom chem shift
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1,7296,570
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1,7296,571
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atom chem shift.auth atom id: HBA1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 2.637
atom chem shift.val err: 0.03

1,7296,572
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 572
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HBA2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HBA2
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.231
atom chem shift.val err: 0.03

1,7296,573
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 573
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HBB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HBB1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 1.908
atom chem shift.val err: 0.03

1,7296,574
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 574
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HBB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HBB2
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 1.908
atom chem shift.val err: 0.03

1,7296,575
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 575
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HBB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HBB3
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 1.908
atom chem shift.val err: 0.03

1,7296,576
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 576
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HBC1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HBC1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 2.446
atom chem shift.val err: 0.03

1,7296,577
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 577
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HBC2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HBC2
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 2.446
atom chem shift.val err: 0.03

1,7296,578
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 578
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HBC3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HBC3
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 2.446
atom chem shift.val err: 0.03

1,7296,579
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 579
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HBD1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HBD1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 2.637
atom chem shift.val err: 0.03

1,7296,580
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 580
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HBD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HBD2
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.419
atom chem shift.val err: 0.03

1,7296,581
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 581
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HHA1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HHA1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 9.277
atom chem shift.val err: 0.03

1,7296,582
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 582
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HHB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HHB1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 9.178
atom chem shift.val err: 0.03

1,7296,583
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 583
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HHC1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HHC1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 9.776
atom chem shift.val err: 0.03

1,7296,584
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 584
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HHD1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HHD1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 9.311
atom chem shift.val err: 0.03

1,7296,585
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 585
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMA1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMA1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.424
atom chem shift.val err: 0.03

1,7296,586
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 586
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMA2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMA2
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.424
atom chem shift.val err: 0.03

1,7296,587
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 587
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMA3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMA3
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.424
atom chem shift.val err: 0.03

1,7296,588
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 588
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMB1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.770
atom chem shift.val err: 0.03

1,7296,589
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 589
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMB2
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.770
atom chem shift.val err: 0.03

1,7296,590
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 590
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMB3
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.770
atom chem shift.val err: 0.03

1,7296,591
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 591
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMC1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMC1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.709
atom chem shift.val err: 0.03

1,7296,592
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 592
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMC2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMC2
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.709
atom chem shift.val err: 0.03

1,7296,593
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 593
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMC3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMC3
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.709
atom chem shift.val err: 0.03

1,7296,594
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 594
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMD1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMD1
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.308
atom chem shift.val err: 0.03

1,7296,595
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 595
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMD2
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.308
atom chem shift.val err: 0.03

1,7296,596
type: atom chem shift
of datablock: info:bmrb/7296
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 7296
atom chem shift.id: 596
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HMD3
atom chem shift.auth comp id: HEC
atom chem shift.auth seq id: 83
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.308
atom chem shift.val err: 0.03

1,7296,1
type: bond
of datablock: info:bmrb/7296
bond.assembly id: 1
bond.entry id: 7296
bond.id: 1
bond.atom id 1: SG
bond.atom id 2: CAB
bond.comp id 1: CYS
bond.comp id 2: HEM
bond.comp index id 1: 12
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 12
bond.seq id 2: 1
bond.type: thioether
bond.value order: sing

1,7296,2
type: bond
of datablock: info:bmrb/7296
bond.assembly id: 1
bond.entry id: 7296
bond.id: 2
bond.atom id 1: SG
bond.atom id 2: CAC
bond.comp id 1: CYS
bond.comp id 2: HEM
bond.comp index id 1: 15
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 15
bond.seq id 2: 1
bond.type: thioether
bond.value order: sing

1,7296,3
type: bond
of datablock: info:bmrb/7296
bond.assembly id: 1
bond.entry id: 7296
bond.id: 3
bond.atom id 1: NE2
bond.atom id 2: FE
bond.comp id 1: HIS
bond.comp id 2: HEM
bond.comp index id 1: 16
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 16
bond.seq id 2: 1
bond.type: na
bond.value order: sing

1,7296,4
type: bond
of datablock: info:bmrb/7296
bond.assembly id: 1
bond.entry id: 7296
bond.id: 4
bond.atom id 1: SD
bond.atom id 2: FE
bond.comp id 1: MET
bond.comp id 2: HEM
bond.comp index id 1: 61
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 61
bond.seq id 2: 1
bond.type: na
bond.value order: sing

7296,HEM
type: chem comp
of datablock: info:bmrb/7296
reference to entry: entry
chem comp.entry id: 7296
chem comp.id: HEM
chem comp.ambiguous flag: yes
chem comp.aromatic: yes
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Oct 11 12:05:59 2011
chem comp.formal charge: 0
chem comp.formula: C34 H32 Fe N4 O4
chem comp.formula weight: 616.487
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 3IA3
chem comp.model coordinates missing flag: no
chem comp.modified date: 2009-08-10Z
chem comp.name: PROTOPORPHYRIN IX CONTAINING FE
chem comp.pdb code: HEM
chem comp.processing site: RCSB
chem comp.provenance: na
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CHA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CHB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CHC
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CHD
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C1A
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C3A
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C4A
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CMA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CGA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: O1A
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: O2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C1B
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C2B
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C3B
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C4B
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CMB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C1C
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C2C
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C3C
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C4C
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CMC
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CAC
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CBC
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C1D
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C3D
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: C4D
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CMD
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CAD
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CBD
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: CGD
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: O1D
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: O2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: NA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: NB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: NC
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: ND
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: yes
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: FE
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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: S
chem comp atom.type symbol: FE

HHB,HEM,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HHB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HHC
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HHD
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.894
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: 40.209
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HAAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.264
chem comp atom.model cartn x ideal: -4.024
chem comp atom.model cartn y: -16.976
chem comp atom.model cartn y ideal: -2.121
chem comp atom.model cartn z: 41.104
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.351
chem comp atom.model cartn x ideal: -3.825
chem comp atom.model cartn y: -18.235
chem comp atom.model cartn y ideal: -1.956
chem comp atom.model cartn z: 40.650
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HBAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.999
chem comp atom.model cartn x ideal: -3.464
chem comp atom.model cartn y: -16.792
chem comp atom.model cartn y ideal: -3.697
chem comp atom.model cartn z: 39.732
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HBBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMC
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.438
chem comp atom.model cartn x ideal: 6.554
chem comp atom.model cartn y: -25.328
chem comp atom.model cartn y ideal: 1.949
chem comp atom.model cartn z: 32.822
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMCA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.288
chem comp atom.model cartn x ideal: 6.110
chem comp atom.model cartn y: -25.484
chem comp atom.model cartn y ideal: 3.316
chem comp atom.model cartn z: 33.296
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMCB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.278
chem comp atom.model cartn x ideal: 6.362
chem comp atom.model cartn y: -24.010
chem comp atom.model cartn y ideal: 3.578
chem comp atom.model cartn z: 32.440
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HAC
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HBC
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HBCA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMD
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMDA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HMDB
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HAD
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.081
chem comp atom.model cartn x ideal: -4.052
chem comp atom.model cartn y: -22.206
chem comp atom.model cartn y ideal: 1.687
chem comp atom.model cartn z: 43.011
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HADA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.951
chem comp atom.model cartn x ideal: -3.893
chem comp atom.model cartn y: -20.739
chem comp atom.model cartn y ideal: 3.459
chem comp atom.model cartn z: 42.575
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HBD
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.775
chem comp atom.model cartn x ideal: -4.262
chem comp atom.model cartn y: -19.642
chem comp atom.model cartn y ideal: 3.408
chem comp atom.model cartn z: 41.839
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HBDA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.116
chem comp atom.model cartn x ideal: -4.421
chem comp atom.model cartn y: -21.147
chem comp atom.model cartn y ideal: 1.636
chem comp atom.model cartn z: 42.297
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: H2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: H2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296
type: chem comp atom
of datablock: info:bmrb/7296
reference to entry: entry
chem comp atom.atom id: HHA
chem comp atom.comp id: HEM
chem comp atom.entry id: 7296
chem comp atom.aromatic flag: no
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,7296,1
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 1
chem comp bond.aromatic flag: yes
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,7296,2
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 2
chem comp bond.aromatic flag: yes
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,7296,3
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,4
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 4
chem comp bond.aromatic flag: yes
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,7296,5
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 5
chem comp bond.aromatic flag: yes
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,7296,6
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,7
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 7
chem comp bond.aromatic flag: yes
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,7296,8
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 8
chem comp bond.aromatic flag: yes
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,7296,9
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,10
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 10
chem comp bond.aromatic flag: yes
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,7296,11
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 11
chem comp bond.aromatic flag: yes
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,7296,12
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,13
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,14
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,15
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,16
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,17
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,18
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,19
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,20
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,21
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,22
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,23
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,24
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,25
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,26
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,27
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,28
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,29
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,30
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,31
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,32
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 32
chem comp bond.aromatic flag: yes
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,7296,33
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 33
chem comp bond.aromatic flag: yes
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,7296,34
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 34
chem comp bond.aromatic flag: yes
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,7296,35
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,36
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 36
chem comp bond.aromatic flag: yes
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,7296,37
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,38
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 38
chem comp bond.aromatic flag: yes
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,7296,39
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,40
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,41
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,42
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,43
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,44
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,45
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 45
chem comp bond.aromatic flag: no
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,7296,46
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,47
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,48
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 48
chem comp bond.aromatic flag: yes
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,7296,49
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 49
chem comp bond.aromatic flag: no
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,7296,50
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 50
chem comp bond.aromatic flag: yes
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,7296,51
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 51
chem comp bond.aromatic flag: no
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,7296,52
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 52
chem comp bond.aromatic flag: yes
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,7296,53
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,54
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,55
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,56
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,57
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,58
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,59
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,60
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 60
chem comp bond.aromatic flag: yes
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,7296,61
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 61
chem comp bond.aromatic flag: yes
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,7296,62
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 62
chem comp bond.aromatic flag: yes
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,7296,63
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,64
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 64
chem comp bond.aromatic flag: yes
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,7296,65
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,66
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
chem comp bond.id: 66
chem comp bond.aromatic flag: yes
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,7296,67
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,68
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,69
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,70
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,71
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,72
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,73
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,74
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,75
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,76
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,77
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,78
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,79
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,80
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,81
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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,7296,82
type: chem comp bond
of datablock: info:bmrb/7296
chem comp bond.comp id: HEM
chem comp bond.entry id: 7296
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/bmr7296/chem_comp_descriptor/HEM,Cc1c2%2Fcc%2F3%5Cnc(%2Fcc%5C4%2Fc(c(%2Fc(%2F%5BnH%5D4)c%2Fc5n%2Fc(c%5Cc(c1CCC(%3DO)O)%5BnH%5D2)%2F,7296,OECHEM,1.7.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/7296
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C
chem comp descriptor.entry id: 7296
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr7296/chem_comp_descriptor/HEM,Cc1c2cc3nc(cc4c(c(c(%5BnH%5D4)cc5nc(cc(c1CCC(%3DO)O)%5BnH%5D2)C(%3DC5C)CCC(%3D,7296,OECHEM,1.7.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/7296
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1CCC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C
chem comp descriptor.entry id: 7296
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr7296/chem_comp_descriptor/HEM,Cc1c2%5BnH%5Dc(cc3nc(cc4%5BnH%5Dc(cc5nc(c2)c(C)c5C%3DC)c(C)c4C%3DC)c(C)c3CCC,7296,CACTVS,3.352,SMILES
type: chem comp descriptor
of datablock: info:bmrb/7296
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
chem comp descriptor.entry id: 7296
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.352
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr7296/chem_comp_descriptor/HEM,Cc1c2%5BnH%5Dc(cc3nc(cc4%5BnH%5Dc(cc5nc(c2)c(C)c5C%3DC)c(C)c4C%3DC)c(C)c3CCC,7296,CACTVS,3.352,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/7296
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
chem comp descriptor.entry id: 7296
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.352
chem comp descriptor.type: SMILES_CANONICAL

HEM,FEDYMSUPMFCVOD-UJJXFSCMSA-N,7296,na,1.02,INCHI
type: chem comp descriptor
of datablock: info:bmrb/7296
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: FEDYMSUPMFCVOD-UJJXFSCMSA-N
chem comp descriptor.entry id: 7296
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02
chem comp descriptor.type: INCHI

HEM,,7296,na,1.02,INCHI
type: chem comp descriptor
of datablock: info:bmrb/7296
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: InChI=1S/C34H34N4O4/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/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
chem comp descriptor.entry id: 7296
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr7296/chem_comp_descriptor/HEM,O%3DC(O)CCc5c(c2nc5cc1nc(C(%3DC1CCC(%3DO)O)C)cc4c(c(c(cc3nc(c2)C(%3DC3%5CC,7296,ACD,11.02,SMILES
type: chem comp descriptor
of datablock: info:bmrb/7296
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: O=C(O)CCc5c(c2nc5cc1nc(C(=C1CCC(=O)O)C)cc4c(c(c(cc3nc(c2)C(=C3\C=C)C)n4)C)\C=C)C
chem comp descriptor.entry id: 7296
chem comp descriptor.program: ACD
chem comp descriptor.program version: 11.02
chem comp descriptor.type: SMILES

HEM,7296,3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,ACD,11.02,systematic name
type: chem comp identifier
of datablock: info:bmrb/7296
chem comp identifier.comp id: HEM
chem comp identifier.entry id: 7296
chem comp identifier.identifier: 3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid
chem comp identifier.program: ACD
chem comp identifier.program version: 11.02
chem comp identifier.type: systematic name

HEM,7296,3-[(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/7296
chem comp identifier.comp id: HEM
chem comp identifier.entry id: 7296
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

1,7296,1
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 1
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 1h coverage: 0.375
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 72960301

1,7296,2
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 2
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 2
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,3
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 3
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 72960301

1,7296,4
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 4
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 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: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,5
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 5
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,6
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 6
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 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: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,7
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 7
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 1h coverage: 1.000
chem shift completeness char.bb chem shift 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: PHE
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,8
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 8
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,9
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 9
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,10
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 10
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,11
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 11
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 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: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,12
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 12
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,13
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 13
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,14
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 14
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,15
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 15
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,16
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 16
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 1h coverage: 1.000
chem shift completeness char.bb chem shift 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: HIS
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,17
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 17
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,18
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 18
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,19
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 19
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,20
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 20
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,21
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 21
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,22
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 22
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 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: MET
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 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.800
chem shift completeness char.sf id: 72960301

1,7296,23
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 23
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 23
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,24
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 24
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 72960301

1,7296,25
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 25
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 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: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,26
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 26
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,27
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 27
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 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: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,28
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 28
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.500
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 1h coverage: 0.625
chem shift completeness char.sc chem shift coverage: 0.625
chem shift completeness char.sf id: 72960301

1,7296,29
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 29
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 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: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,30
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 30
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,31
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 31
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,32
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 32
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,33
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 33
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,34
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 34
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 34
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,35
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 35
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,36
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 36
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 36
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 72960301

1,7296,37
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 37
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 37
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,38
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 38
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 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: 38
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,39
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 39
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 40
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,40
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 40
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,41
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 41
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 42
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,42
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 42
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 43
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,43
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 43
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 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: 44
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,44
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 44
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 45
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,45
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 45
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 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: 46
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,46
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 46
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 47
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,47
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 47
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 48
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,48
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 48
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 49
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,49
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 49
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 50
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,50
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 50
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 51
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 72960301

1,7296,51
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 51
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 52
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,52
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 52
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 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: 53
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,53
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 53
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 54
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 72960301

1,7296,54
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 54
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,55
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 55
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 1h coverage: 1.000
chem shift completeness char.bb chem shift 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: TRP
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,56
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 56
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 57
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 72960301

1,7296,57
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 57
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 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: 58
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,58
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 58
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 59
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,59
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 59
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 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: 60
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,60
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 60
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 61
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,61
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 61
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 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: 62
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,62
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 62
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 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: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,63
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 63
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 64
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,64
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 64
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 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: 65
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,65
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 65
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 66
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,66
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 66
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,67
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 67
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 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: 68
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,68
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 68
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 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: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,69
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 69
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 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: 70
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,70
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 70
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 71
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,71
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 71
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 72
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,72
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 72
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 73
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,73
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 73
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 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: 74
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,74
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 74
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 75
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,75
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 75
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 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: 76
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,76
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 76
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 1h coverage: 1.000
chem shift completeness char.bb chem shift 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: TRP
chem shift completeness char.comp index id: 77
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,77
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 77
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 78
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,78
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 78
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 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: 79
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,79
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 79
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 80
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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: 72960301

1,7296,80
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 80
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 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: 81
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 72960301

1,7296,81
type: chem shift completeness char
of datablock: info:bmrb/7296
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 7296
chem shift completeness char.id: 81
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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 82
chem shift completeness char.entity assembly id: 1
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chem shift completeness list.arom chem shift 1h fraction: 19/19
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chem shift completeness list.bb chem shift 1h fraction: 161/164
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chem shift completeness list.chem shift 1h fraction: 456/467
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chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr7296_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
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chem shift completeness list.queried date: 2020-07-22Z
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chem shift ref.atom group: methyl protons
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type: citation
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citation.id: 1
citation.class: entry citation
citation.doi: 10.1529/biophysj.106.102772
citation.journal abbrev: Biophys. J.
citation.journal issn: 0006-3495
citation.journal issue: 5
citation.journal name full: Biophysical journal
citation.journal volume: 93
citation.page first: 1700
citation.page last: 1706
citation.pubmed id: 17496029
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: Solution conformation of the His-47 to Ala-47 mutant of Pseudomonas stutzeri ZoBell ferrocytochrome c-551.
citation.type: journal
citation.year: 2007

info:doi/10.1529/biophysj.106.102772

doi:10.1529/biophysj.106.102772

urn:ISSN:0006-3495

issn:0006-3495

info:pmid/17496029

pubmed:17496029

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citation author.family name: Liang
citation author.given name: Qiaoli
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citation author.ordinal: 2
citation author.family name: Miller
citation author.given name: Gregory
citation author.middle initials: T.
citation author.pdbx name: Miller, G.T.

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entity.id: 1
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entity.name: H47A peptide chain
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entity.polymer seq one letter code: QDGEALFKSKPCAACHSVDTKMVGPALKEVAAKNAGVEGAADTLALAIKNGSQGVWGPIPMPPNPVTEEEAKILAEWVLSLK
entity.polymer seq one letter code can: QDGEALFKSKPCAACHSVDTKMVGPALKEVAAKNAGVEGAADTLALAIKNGSQGVWGPIPMPPNPVTEEEAKILAEWVLSLK
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entity.parent entity id: 2
entity.polymer seq one letter code can: (HEM)
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http://bmrbpub.pdbj.org/rdf/bmr7296/entry/7296
type: entry
of datablock: info:bmrb/7296
entry.id: 7296
entry.accession date: 2006-09-13Z
entry.assigned pdb id: 2I8F
entry.experimental method: NMR
entry.last release date: 2008-12-29Z
entry.nmr star version: 3.1.1.61
entry.original release date: 2007-10-08Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information
entry.submission date: 2006-09-13Z
entry.title: Solution Conformation of the His 47 to Ala 47 Mutant of Pseudomonas stutzeri ZoBell Ferrocytochrome c-551
entry.type: macromolecule
entry.version type: original

info:pdb/2I8F

pdb:2I8F

7296,1
type: entry author
of datablock: info:bmrb/7296
reference to entry: entry
entry author.entry id: 7296
entry author.ordinal: 1
entry author.family name: Liang
entry author.given name: Qiaoli
entry author.pdbx name: Liang, Q.

7296,2
type: entry author
of datablock: info:bmrb/7296
reference to entry: entry
entry author.entry id: 7296
entry author.ordinal: 2
entry author.family name: Miller
entry author.given name: Gregory
entry author.middle initials: T.
entry author.pdbx name: Miller, G.T.

7296,3
type: entry author
of datablock: info:bmrb/7296
reference to entry: entry
entry author.entry id: 7296
entry author.ordinal: 3
entry author.family name: Beeghley
entry author.given name: Chanda
entry author.middle initials: A.
entry author.pdbx name: Beeghley, C.A.

7296,4
type: entry author
of datablock: info:bmrb/7296
reference to entry: entry
entry author.entry id: 7296
entry author.ordinal: 4
entry author.family name: Graf
entry author.given name: Coyner
entry author.middle initials: B.
entry author.pdbx name: Graf, C.B.

7296,5
type: entry author
of datablock: info:bmrb/7296
reference to entry: entry
entry author.entry id: 7296
entry author.ordinal: 5
entry author.family name: Timkovich
entry author.given name: Russell
entry author.pdbx name: Timkovich, R.

7296,1,1
type: experiment
of datablock: info:bmrb/7296
experiment.entry id: 7296
experiment.experiment list id: 1
experiment.id: 1
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: NOESY
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: 600_MHz_NMR_Spectrometer
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

7296,1,2
type: experiment
of datablock: info:bmrb/7296
experiment.entry id: 7296
experiment.experiment list id: 1
experiment.id: 2
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: DQF-COSY
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: 600_MHz_NMR_Spectrometer
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

7296,1,3
type: experiment
of datablock: info:bmrb/7296
experiment.entry id: 7296
experiment.experiment list id: 1
experiment.id: 3
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: TOCSY
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: 600_MHz_NMR_Spectrometer
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

7296,1
type: experiment list
of datablock: info:bmrb/7296
reference to entry: entry
experiment list.entry id: 7296
experiment list.id: 1
experiment list.sf category: experiment_list
experiment list.sf framecode: NMR_experiment_list

7296,1
type: nmr spec expt
of datablock: info:bmrb/7296
reference to entry: entry
nmr spec expt.entry id: 7296
nmr spec expt.id: 1
nmr spec expt.method id: 0
nmr spec expt.name: NOESY
nmr spec expt.nmr spectrometer id: 1
nmr spec expt.nmr spectrometer label: 600_MHz_NMR_Spectrometer
nmr spec expt.nmr spectrometer probe id: 0
nmr spec expt.sf category: NMR_spectrometer_expt
nmr spec expt.sf framecode: NOESY
nmr spec expt.software id: 0

7296,2
type: nmr spec expt
of datablock: info:bmrb/7296
reference to entry: entry
nmr spec expt.entry id: 7296
nmr spec expt.id: 2
nmr spec expt.method id: 0
nmr spec expt.name: DQF-COSY
nmr spec expt.nmr spectrometer id: 1
nmr spec expt.nmr spectrometer label: 600_MHz_NMR_Spectrometer
nmr spec expt.nmr spectrometer probe id: 0
nmr spec expt.sf category: NMR_spectrometer_expt
nmr spec expt.sf framecode: DQF-COSY
nmr spec expt.software id: 0

7296,3
type: nmr spec expt
of datablock: info:bmrb/7296
reference to entry: entry
nmr spec expt.entry id: 7296
nmr spec expt.id: 3
nmr spec expt.method id: 0
nmr spec expt.name: TOCSY
nmr spec expt.nmr spectrometer id: 1
nmr spec expt.nmr spectrometer label: 600_MHz_NMR_Spectrometer
nmr spec expt.nmr spectrometer probe id: 0
nmr spec expt.sf category: NMR_spectrometer_expt
nmr spec expt.sf framecode: TOCSY
nmr spec expt.software id: 0

7296,1
type: nmr spectrometer
of datablock: info:bmrb/7296
reference to entry: entry
nmr spectrometer.entry id: 7296
nmr spectrometer.id: 1
nmr spectrometer.field strength: 600
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: AVANCE
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: 600_MHz_NMR_Spectrometer

7296,1,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 1
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLN
pb char.comp index id: 1
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pdb residue name: GLN
pb char.pdb residue no: 1
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,2,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 2
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ASP
pb char.comp index id: 2
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pdb residue name: ASP
pb char.pdb residue no: 2
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,3,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 3
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLY
pb char.comp index id: 3
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: k
pb char.pdb residue name: GLY
pb char.pdb residue no: 3
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,4,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 4
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLU
pb char.comp index id: 4
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: l
pb char.pdb residue name: GLU
pb char.pdb residue no: 4
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,5,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 5
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 5
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ALA
pb char.pdb residue no: 5
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,6,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 6
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LEU
pb char.comp index id: 6
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: LEU
pb char.pdb residue no: 6
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,7,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 7
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: PHE
pb char.comp index id: 7
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: PHE
pb char.pdb residue no: 7
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,8,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 8
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LYS
pb char.comp index id: 8
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: LYS
pb char.pdb residue no: 8
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,9,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 9
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: SER
pb char.comp index id: 9
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: p
pb char.pdb residue name: SER
pb char.pdb residue no: 9
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,10,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 10
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LYS
pb char.comp index id: 10
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: c
pb char.pdb residue name: LYS
pb char.pdb residue no: 10
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,11,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 11
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: PRO
pb char.comp index id: 11
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: f
pb char.pdb residue name: PRO
pb char.pdb residue no: 11
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,12,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 12
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: CYS
pb char.comp index id: 12
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: k
pb char.pdb residue name: CYS
pb char.pdb residue no: 12
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,13,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 13
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 13
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: l
pb char.pdb residue name: ALA
pb char.pdb residue no: 13
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,14,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 14
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 14
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ALA
pb char.pdb residue no: 14
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,15,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 15
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: CYS
pb char.comp index id: 15
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: CYS
pb char.pdb residue no: 15
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,16,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 16
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: HIS
pb char.comp index id: 16
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: c
pb char.pdb residue name: HIS
pb char.pdb residue no: 16
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,17,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 17
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: SER
pb char.comp index id: 17
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: f
pb char.pdb residue name: SER
pb char.pdb residue no: 17
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,18,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 18
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: VAL
pb char.comp index id: 18
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: k
pb char.pdb residue name: VAL
pb char.pdb residue no: 18
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,19,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 19
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ASP
pb char.comp index id: 19
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: b
pb char.pdb residue name: ASP
pb char.pdb residue no: 19
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,20,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 20
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: THR
pb char.comp index id: 20
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: c
pb char.pdb residue name: THR
pb char.pdb residue no: 20
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,21,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 21
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LYS
pb char.comp index id: 21
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: c
pb char.pdb residue name: LYS
pb char.pdb residue no: 21
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,22,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 22
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: MET
pb char.comp index id: 22
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: k
pb char.pdb residue name: MET
pb char.pdb residue no: 22
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,23,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 23
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: VAL
pb char.comp index id: 23
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: l
pb char.pdb residue name: VAL
pb char.pdb residue no: 23
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,24,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 24
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLY
pb char.comp index id: 24
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: c
pb char.pdb residue name: GLY
pb char.pdb residue no: 24
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,25,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 25
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: PRO
pb char.comp index id: 25
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: c
pb char.pdb residue name: PRO
pb char.pdb residue no: 25
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,26,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 26
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 26
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: f
pb char.pdb residue name: ALA
pb char.pdb residue no: 26
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,27,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 27
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LEU
pb char.comp index id: 27
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: k
pb char.pdb residue name: LEU
pb char.pdb residue no: 27
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,28,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 28
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LYS
pb char.comp index id: 28
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: l
pb char.pdb residue name: LYS
pb char.pdb residue no: 28
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,29,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 29
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLU
pb char.comp index id: 29
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: GLU
pb char.pdb residue no: 29
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,30,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 30
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: VAL
pb char.comp index id: 30
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: VAL
pb char.pdb residue no: 30
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,31,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 31
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 31
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ALA
pb char.pdb residue no: 31
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,32,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 32
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 32
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ALA
pb char.pdb residue no: 32
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,33,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 33
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LYS
pb char.comp index id: 33
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: LYS
pb char.pdb residue no: 33
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,34,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 34
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ASN
pb char.comp index id: 34
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: g
pb char.pdb residue name: ASN
pb char.pdb residue no: 34
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,35,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 35
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 35
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: o
pb char.pdb residue name: ALA
pb char.pdb residue no: 35
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,36,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 36
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLY
pb char.comp index id: 36
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: i
pb char.pdb residue name: GLY
pb char.pdb residue no: 36
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,37,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 37
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: VAL
pb char.comp index id: 37
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: a
pb char.pdb residue name: VAL
pb char.pdb residue no: 37
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,38,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 38
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLU
pb char.comp index id: 38
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: h
pb char.pdb residue name: GLU
pb char.pdb residue no: 38
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,39,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 39
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLY
pb char.comp index id: 39
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: j
pb char.pdb residue name: GLY
pb char.pdb residue no: 39
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,40,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 40
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 40
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: l
pb char.pdb residue name: ALA
pb char.pdb residue no: 40
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,41,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 41
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 41
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ALA
pb char.pdb residue no: 41
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,42,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 42
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ASP
pb char.comp index id: 42
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ASP
pb char.pdb residue no: 42
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,43,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 43
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: THR
pb char.comp index id: 43
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: THR
pb char.pdb residue no: 43
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,44,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 44
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LEU
pb char.comp index id: 44
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: LEU
pb char.pdb residue no: 44
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,45,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 45
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 45
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ALA
pb char.pdb residue no: 45
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,46,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 46
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LEU
pb char.comp index id: 46
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: LEU
pb char.pdb residue no: 46
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,47,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 47
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 47
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ALA
pb char.pdb residue no: 47
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,48,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 48
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ILE
pb char.comp index id: 48
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ILE
pb char.pdb residue no: 48
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,49,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 49
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LYS
pb char.comp index id: 49
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: n
pb char.pdb residue name: LYS
pb char.pdb residue no: 49
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,50,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 50
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ASN
pb char.comp index id: 50
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: o
pb char.pdb residue name: ASN
pb char.pdb residue no: 50
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,51,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 51
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLY
pb char.comp index id: 51
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: p
pb char.pdb residue name: GLY
pb char.pdb residue no: 51
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,52,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 52
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: SER
pb char.comp index id: 52
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: e
pb char.pdb residue name: SER
pb char.pdb residue no: 52
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,53,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 53
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLN
pb char.comp index id: 53
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: h
pb char.pdb residue name: GLN
pb char.pdb residue no: 53
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,54,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 54
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLY
pb char.comp index id: 54
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: j
pb char.pdb residue name: GLY
pb char.pdb residue no: 54
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,55,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 55
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: VAL
pb char.comp index id: 55
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: l
pb char.pdb residue name: VAL
pb char.pdb residue no: 55
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,56,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 56
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: TRP
pb char.comp index id: 56
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: b
pb char.pdb residue name: TRP
pb char.pdb residue no: 56
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,57,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 57
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLY
pb char.comp index id: 57
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: GLY
pb char.pdb residue no: 57
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,58,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 58
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: PRO
pb char.comp index id: 58
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: b
pb char.pdb residue name: PRO
pb char.pdb residue no: 58
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,59,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 59
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ILE
pb char.comp index id: 59
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: d
pb char.pdb residue name: ILE
pb char.pdb residue no: 59
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,60,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 60
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: PRO
pb char.comp index id: 60
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: c
pb char.pdb residue name: PRO
pb char.pdb residue no: 60
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,61,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 61
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: MET
pb char.comp index id: 61
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: d
pb char.pdb residue name: MET
pb char.pdb residue no: 61
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,62,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 62
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: PRO
pb char.comp index id: 62
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: d
pb char.pdb residue name: PRO
pb char.pdb residue no: 62
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,63,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 63
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: PRO
pb char.comp index id: 63
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: d
pb char.pdb residue name: PRO
pb char.pdb residue no: 63
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,64,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 64
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ASN
pb char.comp index id: 64
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: d
pb char.pdb residue name: ASN
pb char.pdb residue no: 64
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,65,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 65
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: PRO
pb char.comp index id: 65
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: d
pb char.pdb residue name: PRO
pb char.pdb residue no: 65
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,66,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 66
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: VAL
pb char.comp index id: 66
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: d
pb char.pdb residue name: VAL
pb char.pdb residue no: 66
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,67,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 67
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: THR
pb char.comp index id: 67
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: f
pb char.pdb residue name: THR
pb char.pdb residue no: 67
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,68,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 68
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLU
pb char.comp index id: 68
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: k
pb char.pdb residue name: GLU
pb char.pdb residue no: 68
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,69,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 69
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLU
pb char.comp index id: 69
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: l
pb char.pdb residue name: GLU
pb char.pdb residue no: 69
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,70,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 70
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLU
pb char.comp index id: 70
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: GLU
pb char.pdb residue no: 70
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,71,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 71
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 71
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ALA
pb char.pdb residue no: 71
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,72,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 72
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LYS
pb char.comp index id: 72
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: LYS
pb char.pdb residue no: 72
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,73,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 73
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ILE
pb char.comp index id: 73
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ILE
pb char.pdb residue no: 73
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,74,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 74
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LEU
pb char.comp index id: 74
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: LEU
pb char.pdb residue no: 74
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,75,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 75
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: ALA
pb char.comp index id: 75
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: ALA
pb char.pdb residue no: 75
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,76,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 76
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: GLU
pb char.comp index id: 76
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: GLU
pb char.pdb residue no: 76
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,77,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 77
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: TRP
pb char.comp index id: 77
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: TRP
pb char.pdb residue no: 77
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,78,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 78
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: VAL
pb char.comp index id: 78
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: VAL
pb char.pdb residue no: 78
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,79,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 79
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LEU
pb char.comp index id: 79
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: m
pb char.pdb residue name: LEU
pb char.pdb residue no: 79
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,80,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 80
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: SER
pb char.comp index id: 80
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pb code: c
pb char.pdb residue name: SER
pb char.pdb residue no: 80
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,81,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 81
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LEU
pb char.comp index id: 81
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pdb residue name: LEU
pb char.pdb residue no: 81
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,82,1
type: pb char
of datablock: info:bmrb/7296
reference to entry: entry
pb char.entry id: 7296
pb char.id: 82
pb char.pb list id: 1
pb char.align: 1
pb char.assembly id: 1
pb char.comp id: LYS
pb char.comp index id: 82
pb char.entity assembly id: 1
pb char.entity id: 1
pb char.pdb residue name: LYS
pb char.pdb residue no: 82
pb char.pdb strand id: A
pb char.sf id: 72960201

7296,1
type: pb list
of datablock: info:bmrb/7296
reference to entry: entry
pb list.entry id: 7296
pb list.id: 1
pb list.aa seq one letter code: QDGEALFKSKPCAACHSVDTKMVGPALKEVAAKNAGVEGAADTLALAIKNGSQGVWGPIPMPPNPVTEEEAKILAEWVLSLK
pb list.electronic address: http://bmrbpub.protein.osaka-u.ac.jp/archive/pb/bmr7296_PB.str
pb list.input file name: pdb2i8f.ent
pb list.output file name: bmr7296_PB.str
pb list.pb seq code: zzklmmmmpcfklmmcfkbccklccfklmmmmmgoiahjlmmmmmmmmnopehjlbmbdcddddddfklmmmmmmmmmmczz
pb list.pdb id: 2I8F
pb list.pdbx exptl method: SOLUTION NMR
pb list.pdbx nmr refine method: simulated annealing
pb list.queried date: 2014-12-15Z
pb list.query id: db2i8f_1814#A
pb list.sf category: PB_list
pb list.sf framecode: PB_annotation_1
pb list.sf id: 72960201

2I8F,PDB,7296
type: related entries
of datablock: info:bmrb/7296
reference to entry: entry
related entries.database accession code: 2I8F
related entries.database name: PDB
related entries.entry id: 7296
related entries.relationship: BMRB Entry Tracking System

4960,BMRB,7296
type: related entries
of datablock: info:bmrb/7296
reference to entry: entry
related entries.database accession code: 4960
related entries.database name: BMRB
related entries.entry id: 7296
related entries.relationship: M61H mutant of PZ cyt c-551

info:bmrb/4960

7296,2
type: release
of datablock: info:bmrb/7296
reference to entry: entry
release.entry id: 7296
release.release number: 2
release.author: BMRB
release.date: 2008-12-29Z
release.detail: correction of cs table
release.submission date: 2006-09-13Z
release.type: update

7296,1
type: release
of datablock: info:bmrb/7296
reference to entry: entry
release.entry id: 7296
release.release number: 1
release.author: author
release.date: 2007-10-08Z
release.detail: original release
release.submission date: 2006-09-13Z
release.type: original

7296,1
type: sample
of datablock: info:bmrb/7296
reference to entry: entry
sample.entry id: 7296
sample.id: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_1
sample.type: solution

7296,1,1
type: sample component
of datablock: info:bmrb/7296
sample component.entry id: 7296
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 1.5
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: H47A_c-551
sample component.mol common name: H47A c-551

7296,2,1
type: sample component
of datablock: info:bmrb/7296
sample component.entry id: 7296
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 10
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: H2O

7296,3,1
type: sample component
of datablock: info:bmrb/7296
sample component.entry id: 7296
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 90
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: D2O

7296,4,1
type: sample component
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sample component.entry id: 7296
sample component.id: 4
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 50
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: sodium phosphate buffer

7296,5,1
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sample component.id: 5
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 10
sample component.concentration val max: 15
sample component.concentration val min: 5
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: sodium dithionite

7296,1
type: sample condition list
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reference to entry: entry
sample condition list.entry id: 7296
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: conditions_1

7296,1,pH
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sample condition variable.entry id: 7296
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 7.00
sample condition variable.val err: 0.1
sample condition variable.val units: pH

7296,1,temperature
type: sample condition variable
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sample condition variable.entry id: 7296
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val err: 1
sample condition variable.val units: K

7296,1
type: software
of datablock: info:bmrb/7296
reference to entry: entry
software.entry id: 7296
software.id: 1
software.name: NMRView
software.sf category: software
software.sf framecode: software_1
software.version: 6.2.10

7296,2
type: software
of datablock: info:bmrb/7296
reference to entry: entry
software.entry id: 7296
software.id: 2
software.name: NMRPipe
software.sf category: software
software.sf framecode: software_2
software.version: July, 2004

7296,3
type: software
of datablock: info:bmrb/7296
reference to entry: entry
software.entry id: 7296
software.id: 3
software.name: ARIA
software.sf category: software
software.sf framecode: software_3
software.version: 2.0alpha

7296,4
type: software
of datablock: info:bmrb/7296
reference to entry: entry
software.entry id: 7296
software.id: 4
software.name: CNS
software.sf category: software
software.sf framecode: software_4
software.version: 1.1