info:bmrb/6146
type: datablock
references: doi:10.13018/BMR6146
alternative label: bmr6146
title: The pyrophosphate cage: the structure of the nisin/lipid II complex provides a blueprint for novel antibiotics
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1,6146,18
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 18
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth seq id: 3
atom chem shift.comp id: ABA_2
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 112.563
atom chem shift.val err: 0.03

1,6146,19
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 19
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.comp id: ABA_2
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 7.867
atom chem shift.val err: 0.03

1,6146,20
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 20
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ABA_2
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 56.408
atom chem shift.val err: 0.05

1,6146,21
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 21
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ABA_2
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 4.276
atom chem shift.val err: 0.03

1,6146,22
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 22
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ABA_2
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 3.066
atom chem shift.val err: 0.03

1,6146,23
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 23
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atom chem shift.comp id: ABA_2
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 3.250
atom chem shift.val err: 0.03

1,6146,24
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 24
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.auth seq id: 4
atom chem shift.comp id: ILE
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 115.293
atom chem shift.val err: 0.03

1,6146,25
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 25
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 8.327
atom chem shift.val err: 0.03

1,6146,26
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 26
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 62.453
atom chem shift.val err: 0.05

1,6146,27
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 27
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 3.967
atom chem shift.val err: 0.03

1,6146,28
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 38.830
atom chem shift.val err: 0.05

1,6146,29
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 29
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 1.782
atom chem shift.val err: 0.03

1,6146,30
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 30
atom chem shift.ambiguity code: 2
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 4
atom chem shift.val: 27.869
atom chem shift.val err: 0.05

1,6146,31
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 31
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 1.107
atom chem shift.val err: 0.03

1,6146,32
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 1.362
atom chem shift.val err: 0.03

1,6146,33
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 4
atom chem shift.val: 13.992
atom chem shift.val err: 0.05

1,6146,34
type: atom chem shift
of datablock: info:bmrb/6146
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: 4
atom chem shift.val: 0.655
atom chem shift.val err: 0.03

1,6146,35
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 0.655
atom chem shift.val err: 0.03

1,6146,36
type: atom chem shift
of datablock: info:bmrb/6146
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: 4
atom chem shift.val: 0.655
atom chem shift.val err: 0.03

1,6146,37
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 0.778
atom chem shift.val err: 0.03

1,6146,38
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 4
atom chem shift.val: 0.778
atom chem shift.val err: 0.03

1,6146,39
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.778
atom chem shift.val err: 0.03

1,6146,40
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 15
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atom chem shift.comp id: DHA_2
atom chem shift.comp index id: 5
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 123.031
atom chem shift.val err: 0.03

1,6146,41
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 5
atom chem shift.val: 8.224
atom chem shift.val err: 0.03

1,6146,42
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 42
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 5
atom chem shift.val: 6.253
atom chem shift.val err: 0.03

1,6146,43
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 43
atom chem shift.ambiguity code: 2
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 5
atom chem shift.val: 5.458
atom chem shift.val err: 0.03

1,6146,44
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
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atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 118.175
atom chem shift.val err: 0.03

1,6146,45
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.380
atom chem shift.val err: 0.03

1,6146,46
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 55.685
atom chem shift.val err: 0.05

1,6146,47
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
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atom chem shift.val: 3.568
atom chem shift.val err: 0.03

1,6146,48
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 6
atom chem shift.val: 1.602
atom chem shift.val err: 0.03

1,6146,49
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.539
atom chem shift.val err: 0.03

1,6146,50
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 50
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atom chem shift.val: 1.694
atom chem shift.val err: 0.03

1,6146,51
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
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atom chem shift.val err: 0.03

1,6146,52
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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1,6146,53
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,54
type: atom chem shift
of datablock: info:bmrb/6146
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atom chem shift.val: 0.808
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1,6146,55
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,56
type: atom chem shift
of datablock: info:bmrb/6146
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atom chem shift.val: 0.808
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1,6146,57
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: CYS
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 7
atom chem shift.val: 116.767
atom chem shift.val err: 0.03

1,6146,58
type: atom chem shift
of datablock: info:bmrb/6146
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: 7
atom chem shift.val: 8.516
atom chem shift.val err: 0.03

1,6146,59
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
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atom chem shift.seq id: 7
atom chem shift.val: 55.167
atom chem shift.val err: 0.05

1,6146,60
type: atom chem shift
of datablock: info:bmrb/6146
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: 7
atom chem shift.val: 4.987
atom chem shift.val err: 0.03

1,6146,61
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 7
atom chem shift.val: 27.801
atom chem shift.val err: 0.05

1,6146,62
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
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atom chem shift.val: 2.322
atom chem shift.val err: 0.03

1,6146,63
type: atom chem shift
of datablock: info:bmrb/6146
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: 3.053
atom chem shift.val err: 0.03

1,6146,64
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 113.599
atom chem shift.val err: 0.03

1,6146,65
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 10.209
atom chem shift.val err: 0.03

1,6146,66
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 8
atom chem shift.val: 59.984
atom chem shift.val err: 0.05

1,6146,67
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.788
atom chem shift.val err: 0.03

1,6146,68
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 50.304
atom chem shift.val err: 0.05

1,6146,69
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.300
atom chem shift.val err: 0.03

1,6146,70
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,6146,71
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 66.159
atom chem shift.val err: 0.05

1,6146,72
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.409
atom chem shift.val err: 0.03

1,6146,73
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.03

1,6146,74
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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1,6146,75
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.05

1,6146,76
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,77
type: atom chem shift
of datablock: info:bmrb/6146
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atom chem shift.val err: 0.03

1,6146,78
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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1,6146,79
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,80
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,81
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,82
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,83
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,84
type: atom chem shift
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1,6146,85
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,86
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,87
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,88
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,89
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,90
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,91
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,92
type: atom chem shift
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1,6146,93
type: atom chem shift
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1,6146,94
type: atom chem shift
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1,6146,95
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,96
type: atom chem shift
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1,6146,97
type: atom chem shift
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1,6146,98
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1,6146,99
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,100
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,101
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,102
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,103
type: atom chem shift
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1,6146,104
type: atom chem shift
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1,6146,105
type: atom chem shift
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1,6146,106
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,107
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,108
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,109
type: atom chem shift
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1,6146,110
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,111
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1,6146,112
type: atom chem shift
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1,6146,113
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1,6146,114
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1,6146,115
type: atom chem shift
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1,6146,116
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1,6146,117
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1,6146,118
type: atom chem shift
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1,6146,119
type: atom chem shift
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1,6146,120
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1,6146,121
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1,6146,122
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1,6146,123
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1,6146,124
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1,6146,125
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1,6146,126
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1,6146,127
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1,6146,128
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1,6146,129
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1,6146,130
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1,6146,131
type: atom chem shift
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1,6146,132
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1,6146,133
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1,6146,134
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1,6146,135
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1,6146,136
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1,6146,139
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1,6146,140
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1,6146,141
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1,6146,142
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1,6146,144
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1,6146,146
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1,6146,157
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1,6146,158
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1,6146,159
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1,6146,160
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1,6146,161
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1,6146,163
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1,6146,181
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1,6146,182
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1,6146,183
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1,6146,186
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1,6146,194
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1,6146,203
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atom chem shift.val: 4.197
atom chem shift.val err: 0.03

1,6146,219
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.550
atom chem shift.val err: 0.03

1,6146,220
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.346
atom chem shift.val err: 0.03

1,6146,221
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 114.560
atom chem shift.val err: 0.03

1,6146,222
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
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1,6146,223
type: atom chem shift
of datablock: info:bmrb/6146
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atom chem shift.val err: 0.05

1,6146,224
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,225
type: atom chem shift
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1,6146,226
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,227
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,228
type: atom chem shift
of datablock: info:bmrb/6146
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 116.527
atom chem shift.val err: 0.03

1,6146,229
type: atom chem shift
of datablock: info:bmrb/6146
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atom chem shift.val: 7.710
atom chem shift.val err: 0.03

1,6146,230
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,231
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,232
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,233
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,234
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,235
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,236
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,237
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,238
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,239
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,240
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,241
type: atom chem shift
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1,6146,242
type: atom chem shift
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1,6146,243
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,244
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,245
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,246
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,247
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,248
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,249
type: atom chem shift
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1,6146,250
type: atom chem shift
of datablock: info:bmrb/6146
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atom chem shift.val err: 0.03

1,6146,251
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,252
type: atom chem shift
of datablock: info:bmrb/6146
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atom chem shift.val err: 0.05

1,6146,253
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,254
type: atom chem shift
of datablock: info:bmrb/6146
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atom chem shift.val: 1.999
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1,6146,255
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,256
type: atom chem shift
of datablock: info:bmrb/6146
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1,6146,257
type: atom chem shift
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1,6146,258
type: atom chem shift
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atom chem shift.atom type: H
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 0.809
atom chem shift.val err: 0.03

1,6146,259
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 259
atom chem shift.ambiguity code: 4
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 seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 0.809
atom chem shift.val err: 0.03

1,6146,260
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 260
atom chem shift.ambiguity code: 4
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 seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 0.809
atom chem shift.val err: 0.03

1,6146,261
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 261
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth seq id: 33
atom chem shift.comp id: DHA_2
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: 126.596
atom chem shift.val err: 0.03

1,6146,262
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 262
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 seq id: 33
atom chem shift.comp id: DHA_2
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: 9.169
atom chem shift.val err: 0.03

1,6146,263
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 263
atom chem shift.ambiguity code: 2
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
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atom chem shift.comp id: DHA_2
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: 5.958
atom chem shift.val err: 0.03

1,6146,264
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 264
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.comp id: DHA_2
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: 5.499
atom chem shift.val err: 0.03

1,6146,265
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 265
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth seq id: 34
atom chem shift.comp id: LYS
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: 117.620
atom chem shift.val err: 0.03

1,6146,266
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 266
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.auth seq id: 34
atom chem shift.comp id: LYS
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 8.053
atom chem shift.val err: 0.03

1,6146,267
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 267
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth seq id: 34
atom chem shift.comp id: LYS
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: 56.467
atom chem shift.val err: 0.05

1,6146,268
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 268
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
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atom chem shift.auth seq id: 34
atom chem shift.comp id: LYS
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: 4.053
atom chem shift.val err: 0.03

1,6146,269
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 269
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth seq id: 34
atom chem shift.comp id: LYS
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: 1.635
atom chem shift.val err: 0.03

1,6146,270
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 270
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 seq id: 34
atom chem shift.comp id: LYS
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: 1.722
atom chem shift.val err: 0.03

1,6146,271
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 271
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 seq id: 34
atom chem shift.comp id: LYS
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: 1.285
atom chem shift.val err: 0.03

1,6146,272
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 272
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
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atom chem shift.auth seq id: 34
atom chem shift.comp id: LYS
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: 1.285
atom chem shift.val err: 0.03

1,6146,273
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 273
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CE
atom chem shift.atom isotope number: 13
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atom chem shift.auth seq id: 34
atom chem shift.comp id: LYS
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: 41.822
atom chem shift.val err: 0.05

1,6146,274
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 274
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE3
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atom chem shift.comp id: LYS
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: 2.724
atom chem shift.val err: 0.03

1,6146,275
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 6146
atom chem shift.id: 275
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LYS
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: 2.724
atom chem shift.val err: 0.03

2,6146,276
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 276
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 7.114
atom chem shift.val err: 0.03

2,6146,277
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 277
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ALA
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 58.208
atom chem shift.val err: 0.03

2,6146,278
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 278
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 4.112
atom chem shift.val err: 0.03

2,6146,279
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 279
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 19.484
atom chem shift.val err: 0.03

2,6146,280
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 280
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 1.229
atom chem shift.val err: 0.03

2,6146,281
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 281
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 2
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atom chem shift.seq id: 1
atom chem shift.val: 1.229
atom chem shift.val err: 0.03

2,6146,282
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 282
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 1.229
atom chem shift.val err: 0.03

2,6146,283
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 283
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
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atom chem shift.val: 7.302
atom chem shift.val err: 0.03

2,6146,284
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 284
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
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atom chem shift.val: 56.160
atom chem shift.val err: 0.03

2,6146,285
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
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atom chem shift.val: 3.824
atom chem shift.val err: 0.03

2,6146,286
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 286
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 5.681
atom chem shift.val err: 0.03

2,6146,287
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 1.659
atom chem shift.val err: 0.03

2,6146,288
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
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atom chem shift.val: 1.659
atom chem shift.val err: 0.03

2,6146,289
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 289
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 9.307
atom chem shift.val err: 0.03

2,6146,290
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 290
atom chem shift.ambiguity code: 2
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 1.981
atom chem shift.val err: 0.03

2,6146,291
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
atom chem shift.id: 291
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 2.105
atom chem shift.val err: 0.03

2,6146,292
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
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atom chem shift.val: 7.951
atom chem shift.val err: 0.03

2,6146,293
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 56.023
atom chem shift.val err: 0.03

2,6146,294
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
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atom chem shift.val err: 0.03

2,6146,295
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 1.548
atom chem shift.val err: 0.03

2,6146,296
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 6146
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atom chem shift.val err: 0.03

2,6146,297
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
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atom chem shift.entity assembly id: 2
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atom chem shift.val: 1.321
atom chem shift.val err: 0.03

2,6146,298
type: atom chem shift
of datablock: info:bmrb/6146
atom chem shift.assigned chem shift list id: 2
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2,6146,299
type: atom chem shift
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2,6146,300
type: atom chem shift
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2,6146,301
type: atom chem shift
of datablock: info:bmrb/6146
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2,6146,302
type: atom chem shift
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2,6146,303
type: atom chem shift
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2,6146,304
type: atom chem shift
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2,6146,305
type: atom chem shift
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2,6146,306
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2,6146,307
type: atom chem shift
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2,6146,308
type: atom chem shift
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2,6146,309
type: atom chem shift
of datablock: info:bmrb/6146
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2,6146,310
type: atom chem shift
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2,6146,311
type: atom chem shift
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2,6146,312
type: atom chem shift
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2,6146,313
type: atom chem shift
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2,6146,314
type: atom chem shift
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2,6146,315
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2,6146,316
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2,6146,317
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2,6146,318
type: atom chem shift
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2,6146,319
type: atom chem shift
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2,6146,320
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2,6146,321
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2,6146,322
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2,6146,323
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2,6146,324
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2,6146,325
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2,6146,326
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2,6146,327
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2,6146,328
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2,6146,329
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2,6146,330
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2,6146,331
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2,6146,332
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2,6146,333
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2,6146,334
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2,6146,335
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2,6146,336
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2,6146,338
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atom chem shift.val: 1.813
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2,6146,339
type: atom chem shift
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2,6146,340
type: atom chem shift
of datablock: info:bmrb/6146
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2,6146,341
type: atom chem shift
of datablock: info:bmrb/6146
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2,6146,342
type: atom chem shift
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2,6146,343
type: atom chem shift
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2,6146,344
type: atom chem shift
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2,6146,345
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2,6146,347
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2,6146,348
type: atom chem shift
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2,6146,349
type: atom chem shift
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2,6146,350
type: atom chem shift
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2,6146,351
type: atom chem shift
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2,6146,352
type: atom chem shift
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2,6146,353
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2,6146,354
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2,6146,355
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2,6146,356
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2,6146,357
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2,6146,358
type: atom chem shift
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2,6146,359
type: atom chem shift
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2,6146,360
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2,6146,361
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2,6146,362
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2,6146,363
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2,6146,370
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2,6146,371
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bond.entity id 2: 1
bond.seq id 1: 7
bond.seq id 2: 3
bond.type: covalent
bond.value order: sing

6146,DHA 2
type: chem comp
of datablock: info:bmrb/6146
reference to entry: entry
chem comp.entry id: 6146
chem comp.id: DHA_2
chem comp.bmrb code: DHA_2
chem comp.formula: C3 H3 N1 O1
chem comp.name: dehydroalanine
chem comp.paramagnetic: no
chem comp.pdb code: DHA_2
chem comp.provenance: na
chem comp.sf category: chem_comp
chem comp.sf framecode: DHA_2
chem comp.std deriv three letter code: SER
chem comp.type: NON-POLYMER

info:pdb-ccd/DHA_2

pdb-ccd:DHA_2

info:pdb.ligand/DHA_2

pdb.ligand:DHA_2

6146,DHB 2
type: chem comp
of datablock: info:bmrb/6146
reference to entry: entry
chem comp.entry id: 6146
chem comp.id: DHB_2
chem comp.bmrb code: DHB_2
chem comp.formula: C4 H5 N1 O1
chem comp.name: dehydrobutyrine
chem comp.paramagnetic: no
chem comp.provenance: na
chem comp.sf category: chem_comp
chem comp.sf framecode: DHB_2
chem comp.type: NON-POLYMER

6146,ABA 2
type: chem comp
of datablock: info:bmrb/6146
reference to entry: entry
chem comp.entry id: 6146
chem comp.id: ABA_2
chem comp.bmrb code: ABA_2
chem comp.formula: C3 H4 N1 O1
chem comp.name: lanthionine or meso-lanthionine D-alanine moiety
chem comp.paramagnetic: no
chem comp.provenance: na
chem comp.sf category: chem_comp
chem comp.sf framecode: ABA_2
chem comp.std deriv three letter code: SER
chem comp.type: NON-POLYMER

6146,MLN 2
type: chem comp
of datablock: info:bmrb/6146
reference to entry: entry
chem comp.entry id: 6146
chem comp.id: MLN_2
chem comp.bmrb code: MLN_2
chem comp.formula: C4 H6 N1 O1
chem comp.name: '3-methyllanthionine or (2S, 3S, 6R)-3-methyllanthionine
chem comp.paramagnetic: no
chem comp.provenance: na
chem comp.sf category: chem_comp
chem comp.sf framecode: MLN_2
chem comp.std deriv three letter code: THR
chem comp.type: NON-POLYMER

6146,DGL
type: chem comp
of datablock: info:bmrb/6146
reference to entry: entry
chem comp.entry id: 6146
chem comp.id: DGL
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 9 15:26:35 2012
chem comp.formal charge: 0
chem comp.formula: C5 H9 N O4
chem comp.formula weight: 147.129
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-06Z
chem comp.model coordinates db code: 1CZQ
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.name: D-GLUTAMIC ACID
chem comp.one letter code: E
chem comp.pdb code: DGL
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_DGL
chem comp.three letter code: DGL
chem comp.type: D-PEPTIDE LINKING

info:pdb-ccd/DGL

pdb-ccd:DGL

info:pdb.ligand/DGL

pdb.ligand:DGL

6146,DAL
type: chem comp
of datablock: info:bmrb/6146
reference to entry: entry
chem comp.entry id: 6146
chem comp.id: DAL
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 9 15:27:57 2012
chem comp.formal charge: 0
chem comp.formula: C3 H7 N O2
chem comp.formula weight: 89.093
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.name: D-ALANINE
chem comp.one letter code: A
chem comp.pdb code: DAL
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_DAL
chem comp.three letter code: DAL
chem comp.type: D-PEPTIDE LINKING

info:pdb-ccd/DAL

pdb-ccd:DAL

info:pdb.ligand/DAL

pdb.ligand:DAL

6146,NAG
type: chem comp
of datablock: info:bmrb/6146
reference to entry: entry
chem comp.entry id: 6146
chem comp.id: NAG
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 9 15:29:52 2012
chem comp.formal charge: 0
chem comp.formula: C8 H15 N O6
chem comp.formula weight: 221.208
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 8PCH
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-30Z
chem comp.name: N-ACETYL-D-GLUCOSAMINE
chem comp.pdb code: NAG
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_NAG
chem comp.three letter code: NAG
chem comp.type: D-SACCHARIDE

info:pdb-ccd/NAG

pdb-ccd:NAG

info:pdb.ligand/NAG

pdb.ligand:NAG

6146,NAM 2
type: chem comp
of datablock: info:bmrb/6146
reference to entry: entry
chem comp.entry id: 6146
chem comp.id: NAM_2
chem comp.bmrb code: NAM_2
chem comp.formula: C11 H15 N1 O7
chem comp.name: N-acetyl muramic acid
chem comp.paramagnetic: no
chem comp.provenance: na
chem comp.sf category: chem_comp
chem comp.sf framecode: NAM_2
chem comp.type: NON-POLYMER

6146,POP
type: chem comp
of datablock: info:bmrb/6146
reference to entry: entry
chem comp.entry id: 6146
chem comp.id: POP
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Feb 9 15:33:42 2012
chem comp.formal charge: 2-
chem comp.formula: H2 O7 P2
chem comp.formula weight: 175.959
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 2NSY
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.name: PYROPHOSPHATE 2-
chem comp.pdb code: POP
chem comp.processing site: EBI
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_POP
chem comp.three letter code: POP
chem comp.type: NON-POLYMER

info:pdb-ccd/POP

pdb-ccd:POP

info:pdb.ligand/POP

pdb.ligand:POP

6146,TPL 2
type: chem comp
of datablock: info:bmrb/6146
reference to entry: entry
chem comp.entry id: 6146
chem comp.id: TPL_2
chem comp.bmrb code: TPL_2
chem comp.formula: C5 H8
chem comp.name: 1,4-trans-isoprene
chem comp.paramagnetic: no
chem comp.provenance: na
chem comp.sf category: chem_comp
chem comp.sf framecode: TPL_2
chem comp.type: NON-POLYMER

N,DHA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: N
chem comp atom.comp id: DHA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: N

CA,DHA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CA
chem comp atom.comp id: DHA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

CB,DHA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CB
chem comp atom.comp id: DHA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C,DHA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C
chem comp atom.comp id: DHA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

O,DHA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O
chem comp atom.comp id: DHA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: O

H,DHA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H
chem comp atom.comp id: DHA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HB2,DHA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB2
chem comp atom.comp id: DHA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HB3,DHA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB3
chem comp atom.comp id: DHA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

N,DHB 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: N
chem comp atom.comp id: DHB_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: N

CA,DHB 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CA
chem comp atom.comp id: DHB_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

CB,DHB 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CB
chem comp atom.comp id: DHB_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

CG,DHB 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CG
chem comp atom.comp id: DHB_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C,DHB 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C
chem comp atom.comp id: DHB_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

O,DHB 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O
chem comp atom.comp id: DHB_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: O

H,DHB 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H
chem comp atom.comp id: DHB_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HB2,DHB 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB2
chem comp atom.comp id: DHB_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HG1,DHB 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HG1
chem comp atom.comp id: DHB_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HG2,DHB 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HG2
chem comp atom.comp id: DHB_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HG3,DHB 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HG3
chem comp atom.comp id: DHB_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

N,ABA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: N
chem comp atom.comp id: ABA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: N

CA,ABA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CA
chem comp atom.comp id: ABA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

CB,ABA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CB
chem comp atom.comp id: ABA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

CG,ABA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CG
chem comp atom.comp id: ABA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C,ABA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C
chem comp atom.comp id: ABA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

O,ABA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O
chem comp atom.comp id: ABA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: O

H,ABA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H
chem comp atom.comp id: ABA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HB2,ABA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB2
chem comp atom.comp id: ABA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HB3,ABA 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB3
chem comp atom.comp id: ABA_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

N,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: N
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: N

CA,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CA
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

CB,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CB
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

CG,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CG
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

O,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: O

H,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HA,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HA
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HB2,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB2
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HG1,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HG1
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HG2,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HG2
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HB3,MLN 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB3
chem comp atom.comp id: MLN_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

O4,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O4
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: O

O5,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O5
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: O

O6,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O6
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: O

O7,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O7
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: O

O10,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O10
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: O

H1,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H1
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HN2,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HN2
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H3,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H3
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H4,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H4
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H5,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H5
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H61,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H61
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H62,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H62
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

HO6,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HO6
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H81,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H81
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H82,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H82
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H83,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H83
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H9,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H9
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H111,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H111
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H112,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H112
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H113,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H113
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

N,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: N
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.813
chem comp atom.model cartn x ideal: -1.198
chem comp atom.model cartn y: -4.736
chem comp atom.model cartn y ideal: 1.861
chem comp atom.model cartn z: 28.474
chem comp atom.model cartn z ideal: -0.122
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

CA,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CA
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.782
chem comp atom.model cartn x ideal: -1.130
chem comp atom.model cartn y: -5.702
chem comp atom.model cartn y ideal: 0.510
chem comp atom.model cartn z: 28.834
chem comp atom.model cartn z ideal: 0.451
chem comp atom.pdb atom id: CA
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.875
chem comp atom.model cartn x ideal: -2.352
chem comp atom.model cartn y: -6.180
chem comp atom.model cartn y ideal: -0.272
chem comp atom.model cartn z: 30.276
chem comp atom.model cartn z ideal: 0.040
chem comp atom.pdb atom id: C
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.832
chem comp atom.model cartn x ideal: -2.999
chem comp atom.model cartn y: -7.381
chem comp atom.model cartn y ideal: 0.079
chem comp atom.model cartn z: 30.553
chem comp atom.model cartn z ideal: -0.918
chem comp atom.pdb atom id: O
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: O

CB,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CB
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.397
chem comp atom.model cartn x ideal: 0.125
chem comp atom.model cartn y: -5.090
chem comp atom.model cartn y ideal: -0.199
chem comp atom.model cartn z: 28.574
chem comp atom.model cartn z ideal: -0.062
chem comp atom.pdb atom id: CB
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CG,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CG
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.060
chem comp atom.model cartn x ideal: 1.368
chem comp atom.model cartn y: -4.844
chem comp atom.model cartn y ideal: 0.525
chem comp atom.model cartn z: 27.093
chem comp atom.model cartn z ideal: 0.460
chem comp atom.pdb atom id: CG
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CD,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CD
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.663
chem comp atom.model cartn x ideal: 2.605
chem comp atom.model cartn y: -3.568
chem comp atom.model cartn y ideal: -0.173
chem comp atom.model cartn z: 26.500
chem comp atom.model cartn z ideal: -0.045
chem comp atom.pdb atom id: CD
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

OE1,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: OE1
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.422
chem comp atom.model cartn x ideal: 2.502
chem comp atom.model cartn y: -2.859
chem comp atom.model cartn y ideal: -1.149
chem comp atom.model cartn z: 27.182
chem comp atom.model cartn z ideal: -0.750
chem comp atom.pdb atom id: OE1
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: O

OE2,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: OE2
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.367
chem comp atom.model cartn x ideal: 3.820
chem comp atom.model cartn y: -3.264
chem comp atom.model cartn y ideal: 0.290
chem comp atom.model cartn z: 25.323
chem comp atom.model cartn z ideal: 0.289
chem comp atom.pdb atom id: OE2
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: O

OXT,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: OXT
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 15.022
chem comp atom.model cartn x ideal: -2.720
chem comp atom.model cartn y: -5.237
chem comp atom.model cartn y ideal: -1.357
chem comp atom.model cartn z: 31.196
chem comp atom.model cartn z ideal: 0.738
chem comp atom.pdb atom id: OXT
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.696
chem comp atom.model cartn x ideal: -1.236
chem comp atom.model cartn y: -4.464
chem comp atom.model cartn y ideal: 1.826
chem comp atom.model cartn z: 27.519
chem comp atom.model cartn z ideal: -1.129
chem comp atom.pdb atom id: H
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H2
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 15.735
chem comp atom.model cartn x ideal: -1.984
chem comp atom.model cartn y: -3.931
chem comp atom.model cartn y ideal: 2.373
chem comp atom.model cartn z: 29.062
chem comp atom.model cartn z ideal: 0.252
chem comp atom.pdb atom id: H2
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HA,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HA
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 14.940
chem comp atom.model cartn x ideal: -1.091
chem comp atom.model cartn y: -6.589
chem comp atom.model cartn y ideal: 0.577
chem comp atom.model cartn z: 28.203
chem comp atom.model cartn z ideal: 1.538
chem comp atom.pdb atom id: HA
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB2,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB2
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 12.645
chem comp atom.model cartn x ideal: 0.130
chem comp atom.model cartn y: -5.785
chem comp atom.model cartn y ideal: -1.230
chem comp atom.model cartn z: 28.976
chem comp atom.model cartn z ideal: 0.291
chem comp atom.pdb atom id: HB2
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB3,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB3
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.359
chem comp atom.model cartn x ideal: 0.129
chem comp atom.model cartn y: -4.119
chem comp atom.model cartn y ideal: -0.188
chem comp atom.model cartn z: 29.090
chem comp atom.model cartn z ideal: -1.152
chem comp atom.pdb atom id: HB3
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG2,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HG2
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.446
chem comp atom.model cartn x ideal: 1.363
chem comp atom.model cartn y: -5.697
chem comp atom.model cartn y ideal: 1.556
chem comp atom.model cartn z: 26.516
chem comp atom.model cartn z ideal: 0.107
chem comp atom.pdb atom id: HG2
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HG3,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HG3
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 11.966
chem comp atom.model cartn x ideal: 1.364
chem comp atom.model cartn y: -4.769
chem comp atom.model cartn y ideal: 0.514
chem comp atom.model cartn z: 27.006
chem comp atom.model cartn z ideal: 1.550
chem comp atom.pdb atom id: HG3
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HE2,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HE2
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 13.804
chem comp atom.model cartn x ideal: 4.583
chem comp atom.model cartn y: -2.455
chem comp atom.model cartn y ideal: -0.191
chem comp atom.model cartn z: 25.085
chem comp atom.model cartn z ideal: -0.059
chem comp atom.pdb atom id: HE2
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HXT,DGL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HXT
chem comp atom.comp id: DGL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 15.084
chem comp atom.model cartn x ideal: -3.510
chem comp atom.model cartn y: -5.639
chem comp atom.model cartn y ideal: -1.826
chem comp atom.model cartn z: 32.055
chem comp atom.model cartn z ideal: 0.436
chem comp atom.pdb atom id: HXT
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: H

N,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: N
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.005
chem comp atom.model cartn x ideal: -1.564
chem comp atom.model cartn y: 31.325
chem comp atom.model cartn y ideal: -0.992
chem comp atom.model cartn z: 27.552
chem comp atom.model cartn z ideal: 0.101
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

CA,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CA
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.495
chem comp atom.model cartn x ideal: -0.724
chem comp atom.model cartn y: 30.650
chem comp atom.model cartn y ideal: 0.176
chem comp atom.model cartn z: 26.346
chem comp atom.model cartn z ideal: 0.402
chem comp atom.pdb atom id: CA
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: R
chem comp atom.type symbol: C

CB,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: CB
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.859
chem comp atom.model cartn x ideal: -1.205
chem comp atom.model cartn y: 31.287
chem comp atom.model cartn y ideal: 1.374
chem comp atom.model cartn z: 25.124
chem comp atom.model cartn z ideal: -0.420
chem comp atom.pdb atom id: CB
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.165
chem comp atom.model cartn x ideal: 0.709
chem comp atom.model cartn y: 29.151
chem comp atom.model cartn y ideal: -0.132
chem comp atom.model cartn z: 26.377
chem comp atom.model cartn z ideal: 0.051
chem comp atom.pdb atom id: C
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.244
chem comp atom.model cartn x ideal: 1.001
chem comp atom.model cartn y: 28.758
chem comp atom.model cartn y ideal: -1.213
chem comp atom.model cartn z: 27.139
chem comp atom.model cartn z ideal: -0.403
chem comp atom.pdb atom id: O
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: O

OXT,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: OXT
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 17.840
chem comp atom.model cartn x ideal: 1.660
chem comp atom.model cartn y: 28.394
chem comp atom.model cartn y ideal: 0.795
chem comp atom.model cartn z: 25.631
chem comp atom.model cartn z ideal: 0.243
chem comp atom.pdb atom id: OXT
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.893
chem comp atom.model cartn x ideal: -1.281
chem comp atom.model cartn y: 30.656
chem comp atom.model cartn y ideal: -1.723
chem comp atom.model cartn z: 28.287
chem comp atom.model cartn z ideal: 0.736
chem comp atom.pdb atom id: H
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H2
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 17.663
chem comp atom.model cartn x ideal: -2.509
chem comp atom.model cartn y: 32.023
chem comp atom.model cartn y ideal: -0.741
chem comp atom.model cartn z: 27.834
chem comp atom.model cartn z ideal: 0.351
chem comp atom.pdb atom id: H2
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HA,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HA
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.589
chem comp atom.model cartn x ideal: -0.796
chem comp atom.model cartn y: 30.759
chem comp atom.model cartn y ideal: 0.411
chem comp atom.model cartn z: 26.304
chem comp atom.model cartn z ideal: 1.464
chem comp atom.pdb atom id: HA
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB1,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB1
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.705
chem comp atom.model cartn x ideal: -1.133
chem comp atom.model cartn y: 32.361
chem comp atom.model cartn y ideal: 1.139
chem comp atom.model cartn z: 25.308
chem comp atom.model cartn z ideal: -1.481
chem comp atom.pdb atom id: HB1
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB2,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB2
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.521
chem comp atom.model cartn x ideal: -2.241
chem comp atom.model cartn y: 31.155
chem comp atom.model cartn y ideal: 1.597
chem comp atom.model cartn z: 24.255
chem comp atom.model cartn z ideal: -0.166
chem comp atom.pdb atom id: HB2
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB3,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HB3
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.890
chem comp atom.model cartn x ideal: -0.582
chem comp atom.model cartn y: 30.807
chem comp atom.model cartn y ideal: 2.240
chem comp atom.model cartn z: 24.923
chem comp atom.model cartn z ideal: -0.197
chem comp atom.pdb atom id: HB3
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HXT,DAL,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HXT
chem comp atom.comp id: DAL
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 17.544
chem comp atom.model cartn x ideal: 2.580
chem comp atom.model cartn y: 27.498
chem comp atom.model cartn y ideal: 0.598
chem comp atom.model cartn z: 25.738
chem comp atom.model cartn z ideal: 0.018
chem comp atom.pdb atom id: HXT
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: H

C1,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C1
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.396
chem comp atom.model cartn x ideal: 0.185
chem comp atom.model cartn y: 28.163
chem comp atom.model cartn y ideal: 1.082
chem comp atom.model cartn z: 26.662
chem comp atom.model cartn z ideal: -0.421
chem comp atom.pdb atom id: C1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C2,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C2
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.973
chem comp atom.model cartn x ideal: 0.790
chem comp atom.model cartn y: 29.233
chem comp atom.model cartn y ideal: -0.220
chem comp atom.model cartn z: 27.644
chem comp atom.model cartn z ideal: 0.112
chem comp atom.pdb atom id: C2
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C3,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C3
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.667
chem comp atom.model cartn x ideal: -0.124
chem comp atom.model cartn y: 29.055
chem comp atom.model cartn y ideal: -1.390
chem comp atom.model cartn z: 29.000
chem comp atom.model cartn z ideal: -0.265
chem comp atom.pdb atom id: C3
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C4,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C4
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.573
chem comp atom.model cartn x ideal: -1.526
chem comp atom.model cartn y: 27.588
chem comp atom.model cartn y ideal: -1.129
chem comp atom.model cartn z: 29.490
chem comp atom.model cartn z ideal: 0.294
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: S
chem comp atom.type symbol: C

C5,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C5
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.902
chem comp atom.model cartn x ideal: -2.042
chem comp atom.model cartn y: 26.592
chem comp atom.model cartn y ideal: 0.207
chem comp atom.model cartn z: 28.373
chem comp atom.model cartn z ideal: -0.246
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: R
chem comp atom.type symbol: C

C6,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C6
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.599
chem comp atom.model cartn x ideal: -3.417
chem comp atom.model cartn y: 25.173
chem comp atom.model cartn y ideal: 0.504
chem comp atom.model cartn z: 28.797
chem comp atom.model cartn z ideal: 0.355
chem comp atom.pdb atom id: C6
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C7,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C7
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.291
chem comp atom.model cartn x ideal: 3.197
chem comp atom.model cartn y: 31.299
chem comp atom.model cartn y ideal: 0.157
chem comp atom.model cartn z: 26.595
chem comp atom.model cartn z ideal: 0.076
chem comp atom.pdb atom id: C7
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C8,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C8
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.684
chem comp atom.model cartn x ideal: 4.559
chem comp atom.model cartn y: 32.649
chem comp atom.model cartn y ideal: -0.052
chem comp atom.model cartn z: 26.036
chem comp atom.model cartn z ideal: -0.533
chem comp atom.pdb atom id: C8
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

N2,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: N2
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.268
chem comp atom.model cartn x ideal: 2.114
chem comp atom.model cartn y: 30.545
chem comp atom.model cartn y ideal: -0.422
chem comp atom.model cartn z: 27.089
chem comp atom.model cartn z ideal: -0.480
chem comp atom.pdb atom id: N2
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: N

O1,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O1
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 6.676
chem comp atom.model cartn x ideal: 1.003
chem comp atom.model cartn y: 28.363
chem comp atom.model cartn y ideal: 2.185
chem comp atom.model cartn z: 25.419
chem comp atom.model cartn z ideal: -0.024
chem comp atom.pdb atom id: O1
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O3,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O3
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 7.038
chem comp atom.model cartn x ideal: 0.395
chem comp atom.model cartn y: 29.909
chem comp atom.model cartn y ideal: -2.600
chem comp atom.model cartn z: 29.947
chem comp atom.model cartn z ideal: 0.291
chem comp atom.pdb atom id: O3
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O4,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O4
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.494
chem comp atom.model cartn x ideal: -2.405
chem comp atom.model cartn y: 27.358
chem comp atom.model cartn y ideal: -2.180
chem comp atom.model cartn z: 30.574
chem comp atom.model cartn z ideal: -0.114
chem comp atom.pdb atom id: O4
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O5,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O5
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.104
chem comp atom.model cartn x ideal: -1.130
chem comp atom.model cartn y: 26.875
chem comp atom.model cartn y ideal: 1.248
chem comp atom.model cartn z: 27.206
chem comp atom.model cartn z ideal: 0.113
chem comp atom.pdb atom id: O5
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O6,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O6
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.232
chem comp atom.model cartn x ideal: -3.949
chem comp atom.model cartn y: 25.040
chem comp atom.model cartn y ideal: 1.691
chem comp atom.model cartn z: 29.165
chem comp atom.model cartn z ideal: -0.236
chem comp atom.pdb atom id: O6
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O7,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O7
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.114
chem comp atom.model cartn x ideal: 3.074
chem comp atom.model cartn y: 30.936
chem comp atom.model cartn y ideal: 0.845
chem comp atom.model cartn z: 26.562
chem comp atom.model cartn z ideal: 1.067
chem comp atom.pdb atom id: O7
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H1,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H1
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.478
chem comp atom.model cartn x ideal: 0.133
chem comp atom.model cartn y: 28.225
chem comp atom.model cartn y ideal: 1.040
chem comp atom.model cartn z: 26.471
chem comp atom.model cartn z ideal: -1.509
chem comp atom.pdb atom id: H1
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H2
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.890
chem comp atom.model cartn x ideal: 0.879
chem comp atom.model cartn y: 29.142
chem comp atom.model cartn y ideal: -0.163
chem comp atom.model cartn z: 27.814
chem comp atom.model cartn z ideal: 1.197
chem comp atom.pdb atom id: H2
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H3,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H3
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.731
chem comp atom.model cartn x ideal: -0.174
chem comp atom.model cartn y: 29.311
chem comp atom.model cartn y ideal: -1.478
chem comp atom.model cartn z: 28.891
chem comp atom.model cartn z ideal: -1.350
chem comp atom.pdb atom id: H3
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H4,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H4
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.536
chem comp atom.model cartn x ideal: -1.483
chem comp atom.model cartn y: 27.433
chem comp atom.model cartn y ideal: -1.091
chem comp atom.model cartn z: 29.822
chem comp atom.model cartn z ideal: 1.382
chem comp atom.pdb atom id: H4
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H5,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H5
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.975
chem comp atom.model cartn x ideal: -2.123
chem comp atom.model cartn y: 26.694
chem comp atom.model cartn y ideal: 0.154
chem comp atom.model cartn z: 28.151
chem comp atom.model cartn z ideal: -1.332
chem comp atom.pdb atom id: H5
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H61,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H61
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.813
chem comp atom.model cartn x ideal: -4.088
chem comp atom.model cartn y: 24.494
chem comp atom.model cartn y ideal: -0.333
chem comp atom.model cartn z: 27.959
chem comp atom.model cartn z ideal: 0.157
chem comp atom.pdb atom id: H61
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H62,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H62
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.230
chem comp atom.model cartn x ideal: -3.320
chem comp atom.model cartn y: 24.913
chem comp atom.model cartn y ideal: 0.645
chem comp atom.model cartn z: 29.659
chem comp atom.model cartn z ideal: 1.431
chem comp atom.pdb atom id: H62
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H81,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H81
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.791
chem comp atom.model cartn x ideal: 4.560
chem comp atom.model cartn y: 33.159
chem comp atom.model cartn y ideal: 0.320
chem comp atom.model cartn z: 25.646
chem comp atom.model cartn z ideal: -1.558
chem comp atom.pdb atom id: H81
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H82,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H82
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.136
chem comp atom.model cartn x ideal: 5.305
chem comp atom.model cartn y: 33.258
chem comp atom.model cartn y ideal: 0.490
chem comp atom.model cartn z: 26.833
chem comp atom.model cartn z ideal: 0.050
chem comp atom.pdb atom id: H82
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H83,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H83
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.411
chem comp atom.model cartn x ideal: 4.799
chem comp atom.model cartn y: 32.511
chem comp atom.model cartn y ideal: -1.115
chem comp atom.model cartn z: 25.222
chem comp atom.model cartn z ideal: -0.532
chem comp atom.pdb atom id: H83
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN2,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HN2
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.210
chem comp atom.model cartn x ideal: 2.212
chem comp atom.model cartn y: 30.881
chem comp atom.model cartn y ideal: -0.973
chem comp atom.model cartn z: 27.079
chem comp atom.model cartn z ideal: -1.273
chem comp atom.pdb atom id: HN2
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO1,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HO1
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.933
chem comp atom.model cartn x ideal: 0.679
chem comp atom.model cartn y: 27.696
chem comp atom.model cartn y ideal: 3.044
chem comp atom.model cartn z: 24.793
chem comp atom.model cartn z ideal: -0.328
chem comp atom.pdb atom id: HO1
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO3,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HO3
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.459
chem comp atom.model cartn x ideal: -0.135
chem comp atom.model cartn y: 29.809
chem comp atom.model cartn y ideal: -3.384
chem comp atom.model cartn z: 30.793
chem comp atom.model cartn z ideal: 0.091
chem comp atom.pdb atom id: HO3
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO4,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HO4
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 8.425
chem comp atom.model cartn x ideal: -3.312
chem comp atom.model cartn y: 26.456
chem comp atom.model cartn y ideal: -2.079
chem comp atom.model cartn z: 30.863
chem comp atom.model cartn z ideal: 0.206
chem comp atom.pdb atom id: HO4
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO6,NAG,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HO6
chem comp atom.comp id: NAG
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.060
chem comp atom.model cartn x ideal: -4.822
chem comp atom.model cartn y: 24.143
chem comp atom.model cartn y ideal: 1.940
chem comp atom.model cartn z: 29.428
chem comp atom.model cartn z ideal: 0.099
chem comp atom.pdb atom id: HO6
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: H

C1,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C1
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C2,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C2
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C3,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C3
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C4,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C4
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C5,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C5
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C6,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C6
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C7,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C7
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C8,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C8
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C9,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C9
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C10,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C10
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C11,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C11
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

N2,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: N2
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: N

O1,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O1
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: O

O3,NAM 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O3
chem comp atom.comp id: NAM_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: O

P1,POP,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: P1
chem comp atom.comp id: POP
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -3.363
chem comp atom.model cartn x ideal: 1.293
chem comp atom.model cartn y: 58.546
chem comp atom.model cartn y ideal: -0.004
chem comp atom.model cartn z: 16.801
chem comp atom.model cartn z ideal: -0.073
chem comp atom.pdb atom id: P1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: P

O1,POP,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O1
chem comp atom.comp id: POP
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -2.799
chem comp atom.model cartn x ideal: 1.553
chem comp atom.model cartn y: 59.697
chem comp atom.model cartn y ideal: -1.483
chem comp atom.model cartn z: 17.650
chem comp atom.model cartn z ideal: 0.288
chem comp atom.pdb atom id: O1
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2,POP,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O2
chem comp atom.comp id: POP
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -3.807
chem comp atom.model cartn x ideal: 2.575
chem comp atom.model cartn y: 59.004
chem comp atom.model cartn y ideal: 0.594
chem comp atom.model cartn z: 15.450
chem comp atom.model cartn z ideal: -0.842
chem comp atom.pdb atom id: O2
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O3,POP,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O3
chem comp atom.comp id: POP
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: -1
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -4.338
chem comp atom.model cartn x ideal: 1.043
chem comp atom.model cartn y: 57.778
chem comp atom.model cartn y ideal: 0.806
chem comp atom.model cartn z: 17.518
chem comp atom.model cartn z ideal: 1.219
chem comp atom.pdb atom id: O3
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O,POP,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O
chem comp atom.comp id: POP
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -2.061
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: 57.601
chem comp atom.model cartn y ideal: 0.097
chem comp atom.model cartn z: 16.500
chem comp atom.model cartn z ideal: -1.027
chem comp atom.pdb atom id: O
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: O

P2,POP,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: P2
chem comp atom.comp id: POP
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -1.235
chem comp atom.model cartn x ideal: -1.292
chem comp atom.model cartn y: 56.817
chem comp atom.model cartn y ideal: 0.001
chem comp atom.model cartn z: 17.677
chem comp atom.model cartn z ideal: -0.071
chem comp atom.pdb atom id: P2
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: P

O4,POP,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O4
chem comp atom.comp id: POP
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.273
chem comp atom.model cartn x ideal: -1.484
chem comp atom.model cartn y: 55.917
chem comp atom.model cartn y ideal: -1.460
chem comp atom.model cartn z: 16.864
chem comp atom.model cartn z ideal: 0.393
chem comp atom.pdb atom id: O4
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O5,POP,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O5
chem comp atom.comp id: POP
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.479
chem comp atom.model cartn x ideal: -2.597
chem comp atom.model cartn y: 57.937
chem comp atom.model cartn y ideal: 0.482
chem comp atom.model cartn z: 18.386
chem comp atom.model cartn z ideal: -0.882
chem comp atom.pdb atom id: O5
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O6,POP,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: O6
chem comp atom.comp id: POP
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: -1
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: -2.162
chem comp atom.model cartn x ideal: -1.089
chem comp atom.model cartn y: 56.022
chem comp atom.model cartn y ideal: 0.910
chem comp atom.model cartn z: 18.486
chem comp atom.model cartn z ideal: 1.162
chem comp atom.pdb atom id: O6
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: O

HO2,POP,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HO2
chem comp atom.comp id: POP
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -4.155
chem comp atom.model cartn x ideal: 3.325
chem comp atom.model cartn y: 58.292
chem comp atom.model cartn y ideal: 0.515
chem comp atom.model cartn z: 14.925
chem comp atom.model cartn z ideal: -0.237
chem comp atom.pdb atom id: HO2
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO5,POP,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: HO5
chem comp atom.comp id: POP
chem comp atom.entry id: 6146
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.000
chem comp atom.model cartn x ideal: -3.346
chem comp atom.model cartn y: 57.482
chem comp atom.model cartn y ideal: 0.410
chem comp atom.model cartn z: 19.068
chem comp atom.model cartn z ideal: -0.275
chem comp atom.pdb atom id: HO5
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: H

C1,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C1
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C2,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C2
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C3,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C3
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C4,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C4
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

C5,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: C5
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: C

H11,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H11
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H12,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H12
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H2,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H2
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H41,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H41
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H42,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H42
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H51,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H51
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H52,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H52
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

H53,TPL 2,6146
type: chem comp atom
of datablock: info:bmrb/6146
reference to entry: entry
chem comp atom.atom id: H53
chem comp atom.comp id: TPL_2
chem comp atom.entry id: 6146
chem comp atom.charge: 0
chem comp atom.type symbol: H

DHA 2,6146,1
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHA_2
chem comp bond.entry id: 6146
chem comp bond.id: 1
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.value order: SING

DAL,6146,2
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAM 2,6146,3
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 3
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.value order: SING

TPL 2,6146,4
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 4
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.value order: SING

ABA 2,6146,5
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: ABA_2
chem comp bond.entry id: 6146
chem comp bond.id: 5
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.value order: SING

NAG,6146,6
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 6
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C2
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

DGL,6146,7
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 7
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHB 2,6146,8
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHB_2
chem comp bond.entry id: 6146
chem comp bond.id: 8
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.value order: SING

MLN 2,6146,9
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: MLN_2
chem comp bond.entry id: 6146
chem comp bond.id: 9
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.value order: SING

POP,6146,10
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: POP
chem comp bond.entry id: 6146
chem comp bond.id: 10
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P1
chem comp bond.atom id 2: O1
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

NAM 2,6146,11
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 11
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O5
chem comp bond.value order: SING

DHB 2,6146,12
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHB_2
chem comp bond.entry id: 6146
chem comp bond.id: 12
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.value order: SING

NAG,6146,13
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 13
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O1
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

DGL,6146,14
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 14
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

TPL 2,6146,15
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 15
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.value order: DOUB

POP,6146,16
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: POP
chem comp bond.entry id: 6146
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P1
chem comp bond.atom id 2: O2
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABA 2,6146,17
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: ABA_2
chem comp bond.entry id: 6146
chem comp bond.id: 17
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.value order: SING

DAL,6146,18
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 18
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

MLN 2,6146,19
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: MLN_2
chem comp bond.entry id: 6146
chem comp bond.id: 19
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.value order: SING

DHA 2,6146,20
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHA_2
chem comp bond.entry id: 6146
chem comp bond.id: 20
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.value order: SING

MLN 2,6146,21
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: MLN_2
chem comp bond.entry id: 6146
chem comp bond.id: 21
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.value order: SING

DHA 2,6146,22
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHA_2
chem comp bond.entry id: 6146
chem comp bond.id: 22
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.value order: DOUB

DHB 2,6146,23
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHB_2
chem comp bond.entry id: 6146
chem comp bond.id: 23
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.value order: DOUB

TPL 2,6146,24
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 24
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.value order: SING

NAM 2,6146,25
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 25
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O1
chem comp bond.value order: SING

POP,6146,26
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: POP
chem comp bond.entry id: 6146
chem comp bond.id: 26
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P1
chem comp bond.atom id 2: O3
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

DGL,6146,27
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,6146,28
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,6146,29
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABA 2,6146,30
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: ABA_2
chem comp bond.entry id: 6146
chem comp bond.id: 30
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.value order: SING

DGL,6146,31
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 31
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,6146,32
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 32
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHB 2,6146,33
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHB_2
chem comp bond.entry id: 6146
chem comp bond.id: 33
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.value order: SING

POP,6146,34
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: POP
chem comp bond.entry id: 6146
chem comp bond.id: 34
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P1
chem comp bond.atom id 2: O
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABA 2,6146,35
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: ABA_2
chem comp bond.entry id: 6146
chem comp bond.id: 35
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.value order: SING

DHA 2,6146,36
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHA_2
chem comp bond.entry id: 6146
chem comp bond.id: 36
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.value order: SING

NAM 2,6146,37
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 37
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.value order: SING

MLN 2,6146,38
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: MLN_2
chem comp bond.entry id: 6146
chem comp bond.id: 38
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.value order: SING

NAG,6146,39
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 39
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H1
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

TPL 2,6146,40
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 40
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C5
chem comp bond.value order: SING

DAL,6146,41
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 41
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHA 2,6146,42
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHA_2
chem comp bond.entry id: 6146
chem comp bond.id: 42
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.value order: SING

DHB 2,6146,43
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHB_2
chem comp bond.entry id: 6146
chem comp bond.id: 43
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.value order: SING

ABA 2,6146,44
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: ABA_2
chem comp bond.entry id: 6146
chem comp bond.id: 44
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.value order: SING

MLN 2,6146,45
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: MLN_2
chem comp bond.entry id: 6146
chem comp bond.id: 45
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.value order: SING

DGL,6146,46
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 46
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,6146,47
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 47
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAM 2,6146,48
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 48
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: C3
chem comp bond.value order: SING

POP,6146,49
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: POP
chem comp bond.entry id: 6146
chem comp bond.id: 49
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2
chem comp bond.atom id 2: HO2
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

TPL 2,6146,50
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 50
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H11
chem comp bond.value order: SING

TPL 2,6146,51
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 51
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: H12
chem comp bond.value order: SING

NAG,6146,52
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 52
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: N2
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

MLN 2,6146,53
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: MLN_2
chem comp bond.entry id: 6146
chem comp bond.id: 53
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.value order: SING

DGL,6146,54
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 54
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,6146,55
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 55
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABA 2,6146,56
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: ABA_2
chem comp bond.entry id: 6146
chem comp bond.id: 56
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.value order: SING

POP,6146,57
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: POP
chem comp bond.entry id: 6146
chem comp bond.id: 57
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O
chem comp bond.atom id 2: P2
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHB 2,6146,58
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHB_2
chem comp bond.entry id: 6146
chem comp bond.id: 58
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.value order: SING

DHA 2,6146,59
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHA_2
chem comp bond.entry id: 6146
chem comp bond.id: 59
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.value order: SING

NAM 2,6146,60
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 60
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: N2
chem comp bond.value order: SING

DAL,6146,61
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 61
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB1
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHB 2,6146,62
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHB_2
chem comp bond.entry id: 6146
chem comp bond.id: 62
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG1
chem comp bond.value order: SING

NAG,6146,63
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 63
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H2
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABA 2,6146,64
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: ABA_2
chem comp bond.entry id: 6146
chem comp bond.id: 64
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.value order: SING

TPL 2,6146,65
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 65
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: H2
chem comp bond.value order: SING

MLN 2,6146,66
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: MLN_2
chem comp bond.entry id: 6146
chem comp bond.id: 66
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.value order: SING

NAM 2,6146,67
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 67
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: HN2
chem comp bond.value order: SING

DGL,6146,68
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 68
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

DHA 2,6146,69
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHA_2
chem comp bond.entry id: 6146
chem comp bond.id: 69
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.value order: DOUB

POP,6146,70
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: POP
chem comp bond.entry id: 6146
chem comp bond.id: 70
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P2
chem comp bond.atom id 2: O4
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

DHB 2,6146,71
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHB_2
chem comp bond.entry id: 6146
chem comp bond.id: 71
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.value order: SING

DGL,6146,72
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 72
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,6146,73
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 73
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

MLN 2,6146,74
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: MLN_2
chem comp bond.entry id: 6146
chem comp bond.id: 74
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG1
chem comp bond.value order: SING

NAG,6146,75
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 75
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

TPL 2,6146,76
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 76
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.value order: SING

POP,6146,77
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: POP
chem comp bond.entry id: 6146
chem comp bond.id: 77
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P2
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

ABA 2,6146,78
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: ABA_2
chem comp bond.entry id: 6146
chem comp bond.id: 78
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.value order: DOUB

NAM 2,6146,79
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 79
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: C7
chem comp bond.value order: SING

DHB 2,6146,80
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHB_2
chem comp bond.entry id: 6146
chem comp bond.id: 80
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.value order: SING

POP,6146,81
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: POP
chem comp bond.entry id: 6146
chem comp bond.id: 81
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P2
chem comp bond.atom id 2: O6
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

TPL 2,6146,82
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 82
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C5
chem comp bond.value order: SING

DGL,6146,83
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 83
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,6146,84
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 84
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: O3
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,6146,85
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 85
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

MLN 2,6146,86
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: MLN_2
chem comp bond.entry id: 6146
chem comp bond.id: 86
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.value order: SING

NAM 2,6146,87
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 87
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: O7
chem comp bond.value order: DOUB

NAG,6146,88
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 88
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H3
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

MLN 2,6146,89
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: MLN_2
chem comp bond.entry id: 6146
chem comp bond.id: 89
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.value order: SING

POP,6146,90
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: POP
chem comp bond.entry id: 6146
chem comp bond.id: 90
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O5
chem comp bond.atom id 2: HO5
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,6146,91
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 91
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

TPL 2,6146,92
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 92
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H41
chem comp bond.value order: SING

DGL,6146,93
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 93
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

DHB 2,6146,94
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DHB_2
chem comp bond.entry id: 6146
chem comp bond.id: 94
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.value order: DOUB

NAM 2,6146,95
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 95
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.value order: SING

MLN 2,6146,96
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: MLN_2
chem comp bond.entry id: 6146
chem comp bond.id: 96
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.value order: DOUB

TPL 2,6146,97
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 97
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H42
chem comp bond.value order: SING

NAM 2,6146,98
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 98
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H81
chem comp bond.value order: SING

DAL,6146,99
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 99
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

DGL,6146,100
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 100
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,6146,101
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 101
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

DAL,6146,102
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DAL
chem comp bond.entry id: 6146
chem comp bond.id: 102
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAM 2,6146,103
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 103
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H82
chem comp bond.value order: SING

NAG,6146,104
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 104
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O4
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

DGL,6146,105
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 105
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

TPL 2,6146,106
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 106
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H51
chem comp bond.value order: SING

NAG,6146,107
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 107
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

TPL 2,6146,108
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 108
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H52
chem comp bond.value order: SING

NAM 2,6146,109
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 109
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H83
chem comp bond.value order: SING

DGL,6146,110
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 110
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG2
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

DGL,6146,111
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 111
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: HG3
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,6146,112
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 112
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAM 2,6146,113
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 113
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: C4
chem comp bond.value order: SING

TPL 2,6146,114
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: TPL_2
chem comp bond.entry id: 6146
chem comp bond.id: 114
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H53
chem comp bond.value order: SING

DGL,6146,115
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 115
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: OE1
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

NAG,6146,116
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 116
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: O5
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAM 2,6146,117
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 117
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: O3
chem comp bond.value order: SING

NAM 2,6146,118
type: chem comp bond
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chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 118
chem comp bond.atom id 1: C3
chem comp bond.atom id 2: H3
chem comp bond.value order: SING

DGL,6146,119
type: chem comp bond
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chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 119
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CD
chem comp bond.atom id 2: OE2
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,6146,120
type: chem comp bond
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chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 120
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H5
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAM 2,6146,121
type: chem comp bond
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chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 121
chem comp bond.atom id 1: O3
chem comp bond.atom id 2: C9
chem comp bond.value order: SING

NAG,6146,122
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 122
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: O6
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

DGL,6146,123
type: chem comp bond
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chem comp bond.comp id: DGL
chem comp bond.entry id: 6146
chem comp bond.id: 123
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OE2
chem comp bond.atom id 2: HE2
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAG,6146,124
type: chem comp bond
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chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 124
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H61
chem comp bond.ordinal: 18
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chem comp bond.value order: SING

NAM 2,6146,125
type: chem comp bond
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chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 125
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: H9
chem comp bond.value order: SING

DGL,6146,126
type: chem comp bond
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chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAM 2,6146,127
type: chem comp bond
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chem comp bond.entry id: 6146
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chem comp bond.atom id 1: C9
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NAG,6146,128
type: chem comp bond
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chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H62
chem comp bond.ordinal: 19
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chem comp bond.value order: SING

NAM 2,6146,129
type: chem comp bond
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chem comp bond.entry id: 6146
chem comp bond.id: 129
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: O10
chem comp bond.value order: DOUB

NAG,6146,130
type: chem comp bond
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chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 130
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.ordinal: 20
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NAM 2,6146,131
type: chem comp bond
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chem comp bond.entry id: 6146
chem comp bond.id: 131
chem comp bond.atom id 1: C9
chem comp bond.atom id 2: C11
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NAG,6146,132
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
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chem comp bond.aromatic flag: no
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chem comp bond.atom id 2: N2
chem comp bond.ordinal: 21
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chem comp bond.value order: SING

NAG,6146,133
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
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chem comp bond.id: 133
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: O7
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chem comp bond.value order: DOUB

NAM 2,6146,134
type: chem comp bond
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chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 134
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H111
chem comp bond.value order: SING

NAM 2,6146,135
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 135
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H112
chem comp bond.value order: SING

NAG,6146,136
type: chem comp bond
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chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 136
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H81
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAM 2,6146,137
type: chem comp bond
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chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 137
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H113
chem comp bond.value order: SING

NAG,6146,138
type: chem comp bond
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chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 138
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H82
chem comp bond.ordinal: 24
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chem comp bond.value order: SING

NAM 2,6146,139
type: chem comp bond
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chem comp bond.entry id: 6146
chem comp bond.id: 139
chem comp bond.atom id 1: C4
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NAG,6146,140
type: chem comp bond
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chem comp bond.aromatic flag: no
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chem comp bond.atom id 2: H83
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NAG,6146,141
type: chem comp bond
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chem comp bond.id: 141
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: HN2
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chem comp bond.stereo config: N
chem comp bond.value order: SING

NAM 2,6146,142
type: chem comp bond
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chem comp bond.comp id: NAM_2
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chem comp bond.atom id 1: C4
chem comp bond.atom id 2: H4
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NAM 2,6146,143
type: chem comp bond
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chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O4
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NAG,6146,144
type: chem comp bond
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chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O1
chem comp bond.atom id 2: HO1
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NAG,6146,145
type: chem comp bond
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chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3
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NAM 2,6146,146
type: chem comp bond
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chem comp bond.id: 146
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
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NAM 2,6146,147
type: chem comp bond
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chem comp bond.atom id 1: C5
chem comp bond.atom id 2: O5
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NAG,6146,148
type: chem comp bond
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chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 148
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O4
chem comp bond.atom id 2: HO4
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAM 2,6146,149
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 149
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: H5
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NAG,6146,150
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAG
chem comp bond.entry id: 6146
chem comp bond.id: 150
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O6
chem comp bond.atom id 2: HO6
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: SING

NAM 2,6146,151
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 151
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: O6
chem comp bond.value order: SING

NAM 2,6146,152
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 152
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H61
chem comp bond.value order: SING

NAM 2,6146,153
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 153
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H62
chem comp bond.value order: SING

NAM 2,6146,154
type: chem comp bond
of datablock: info:bmrb/6146
chem comp bond.comp id: NAM_2
chem comp bond.entry id: 6146
chem comp bond.id: 154
chem comp bond.atom id 1: O6
chem comp bond.atom id 2: HO6
chem comp bond.value order: SING

DHA 2,6146,dehydroalanine,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: DHA_2
chem comp common name.entry id: 6146
chem comp common name.name: dehydroalanine
chem comp common name.type: abbreviation

DHA 2,6146,DHA 2,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: DHA_2
chem comp common name.entry id: 6146
chem comp common name.name: DHA_2
chem comp common name.type: abbreviation

DHB 2,6146,dehydrobutyrine,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: DHB_2
chem comp common name.entry id: 6146
chem comp common name.name: dehydrobutyrine
chem comp common name.type: abbreviation

DHB 2,6146,DHB 2,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: DHB_2
chem comp common name.entry id: 6146
chem comp common name.name: DHB_2
chem comp common name.type: abbreviation

ABA 2,6146,lanthionine or meso-lanthionine D-alanine moiety,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: ABA_2
chem comp common name.entry id: 6146
chem comp common name.name: lanthionine or meso-lanthionine D-alanine moiety
chem comp common name.type: abbreviation

ABA 2,6146,ABA 2,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: ABA_2
chem comp common name.entry id: 6146
chem comp common name.name: ABA_2
chem comp common name.type: abbreviation

MLN 2,6146,'3-methyllanthionine or (2S, 3S, 6R)-3-methyllanthionine,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: MLN_2
chem comp common name.entry id: 6146
chem comp common name.name: '3-methyllanthionine or (2S, 3S, 6R)-3-methyllanthionine
chem comp common name.type: abbreviation

MLN 2,6146,MLN 2,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: MLN_2
chem comp common name.entry id: 6146
chem comp common name.name: MLN_2
chem comp common name.type: abbreviation

NAM 2,6146,N-acetyl muramic acid,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: NAM_2
chem comp common name.entry id: 6146
chem comp common name.name: N-acetyl muramic acid
chem comp common name.type: abbreviation

NAM 2,6146,MurNAc,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: NAM_2
chem comp common name.entry id: 6146
chem comp common name.name: MurNAc
chem comp common name.type: abbreviation

TPL 2,6146,1,4-trans-isoprene,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: TPL_2
chem comp common name.entry id: 6146
chem comp common name.name: 1,4-trans-isoprene
chem comp common name.type: abbreviation

TPL 2,6146,TPL 2,abbreviation
type: chem comp common name
of datablock: info:bmrb/6146
chem comp common name.comp id: TPL_2
chem comp common name.entry id: 6146
chem comp common name.name: TPL_2
chem comp common name.type: abbreviation

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type: chem comp descriptor
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chem comp descriptor.comp id: DGL
chem comp descriptor.descriptor: O=C(O)C(N)CCC(=O)O
chem comp descriptor.entry id: 6146
chem comp descriptor.program: ACD
chem comp descriptor.program version: 12.01
chem comp descriptor.type: SMILES

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type: chem comp descriptor
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chem comp descriptor.comp id: DGL
chem comp descriptor.descriptor: N[C@H](CCC(O)=O)C(O)=O
chem comp descriptor.entry id: 6146
chem comp descriptor.program: CACTVS
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chem comp descriptor.type: SMILES_CANONICAL

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type: chem comp descriptor
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chem comp descriptor.comp id: DGL
chem comp descriptor.descriptor: N[CH](CCC(O)=O)C(O)=O
chem comp descriptor.entry id: 6146
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.370
chem comp descriptor.type: SMILES

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type: chem comp descriptor
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chem comp descriptor.comp id: DGL
chem comp descriptor.descriptor: C(CC(=O)O)[C@H](C(=O)O)N
chem comp descriptor.entry id: 6146
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES_CANONICAL

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type: chem comp descriptor
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chem comp descriptor.comp id: DGL
chem comp descriptor.descriptor: C(CC(=O)O)C(C(=O)O)N
chem comp descriptor.entry id: 6146
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES

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type: chem comp descriptor
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chem comp descriptor.comp id: DGL
chem comp descriptor.descriptor: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
chem comp descriptor.entry id: 6146
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chem comp descriptor.type: INCHI

DGL,WHUUTDBJXJRKMK-GSVOUGTGSA-N,6146,na,1.03,INCHI
type: chem comp descriptor
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chem comp descriptor.comp id: DGL
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chem comp descriptor.entry id: 6146
chem comp descriptor.program: na
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type: chem comp descriptor
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chem comp descriptor.comp id: DAL
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chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
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type: chem comp descriptor
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chem comp descriptor.comp id: DAL
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chem comp descriptor.program: CACTVS
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type: chem comp descriptor
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chem comp descriptor.comp id: DAL
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type: chem comp descriptor
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chem comp descriptor.comp id: DAL
chem comp descriptor.descriptor: C[C@H](C(=O)O)N
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chem comp descriptor.program: OECHEM
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type: chem comp descriptor
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type: chem comp descriptor
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DAL,QNAYBMKLOCPYGJ-UWTATZPHSA-N,6146,na,1.03,INCHI
type: chem comp descriptor
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chem comp descriptor.comp id: DAL
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type: chem comp descriptor
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chem comp descriptor.comp id: NAG
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chem comp descriptor.program: ACD
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type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
chem comp descriptor.entry id: 6146
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

NAG,OVRNDRQMDRJTHS-FMDGEEDCSA-N,6146,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: OVRNDRQMDRJTHS-FMDGEEDCSA-N
chem comp descriptor.entry id: 6146
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr6146/chem_comp_descriptor/NAG,CC(%3DO)N%5BC%40H%5D1%5BC%40H%5D(O)O%5BC%40H%5D(CO)%5BC%40%40H%5D(O)%5BC%40%40H%5D1O,6146,CACTVS,3.370,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
chem comp descriptor.entry id: 6146
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.370
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr6146/chem_comp_descriptor/NAG,CC(%3DO)N%5BCH%5D1%5BCH%5D(O)O%5BCH%5D(CO)%5BCH%5D(O)%5BCH%5D1O,6146,CACTVS,3.370,SMILES
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
chem comp descriptor.entry id: 6146
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.370
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr6146/chem_comp_descriptor/NAG,CC(%3DO)N%5BC%40%40H%5D1%5BC%40H%5D(%5BC%40%40H%5D(%5BC%40H%5D(O%5BC%40H%5D1O)CO)O)O,6146,OECHEM,1.7.2,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
chem comp descriptor.entry id: 6146
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.2
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr6146/chem_comp_descriptor/NAG,CC(%3DO)NC1C(C(C(OC1O)CO)O)O,6146,OECHEM,1.7.2,SMILES
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: NAG
chem comp descriptor.descriptor: CC(=O)NC1C(C(C(OC1O)CO)O)O
chem comp descriptor.entry id: 6146
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.2
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr6146/chem_comp_descriptor/POP,%5BO-%5DP(%3DO)(O)OP(%5BO-%5D)(%3DO)O,6146,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: POP
chem comp descriptor.descriptor: [O-]P(=O)(O)OP([O-])(=O)O
chem comp descriptor.entry id: 6146
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr6146/chem_comp_descriptor/POP,O%5BP%5D(%5BO-%5D)(%3DO)O%5BP%5D(O)(%5BO-%5D)%3DO,6146,CACTVS,3.341,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: POP
chem comp descriptor.descriptor: O[P]([O-])(=O)O[P](O)([O-])=O
chem comp descriptor.entry id: 6146
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr6146/chem_comp_descriptor/POP,O%5BP%5D(%5BO-%5D)(%3DO)O%5BP%5D(O)(%5BO-%5D)%3DO,6146,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: POP
chem comp descriptor.descriptor: O[P]([O-])(=O)O[P](O)([O-])=O
chem comp descriptor.entry id: 6146
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr6146/chem_comp_descriptor/POP,O%5BP%40%40%5D(%3DO)(%5BO-%5D)O%5BP%40%40%5D(%3DO)(O)%5BO-%5D,6146,OECHEM,1.5.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: POP
chem comp descriptor.descriptor: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
chem comp descriptor.entry id: 6146
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr6146/chem_comp_descriptor/POP,OP(%3DO)(%5BO-%5D)OP(%3DO)(O)%5BO-%5D,6146,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: POP
chem comp descriptor.descriptor: OP(=O)([O-])OP(=O)(O)[O-]
chem comp descriptor.entry id: 6146
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr6146/chem_comp_descriptor/POP,InChI%3D1S%2FH4O7P2%2Fc1-8(2,3)7-9(4,5)6%2Fh(H2,1,2,3)(H2,4,5,6)%2Fp-2,6146,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: POP
chem comp descriptor.descriptor: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
chem comp descriptor.entry id: 6146
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

POP,XPPKVPWEQAFLFU-UHFFFAOYSA-L,6146,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/6146
chem comp descriptor.comp id: POP
chem comp descriptor.descriptor: XPPKVPWEQAFLFU-UHFFFAOYSA-L
chem comp descriptor.entry id: 6146
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

DGL,6146,D-glutamic acid,ACD,12.01,systematic name
type: chem comp identifier
of datablock: info:bmrb/6146
chem comp identifier.comp id: DGL
chem comp identifier.entry id: 6146
chem comp identifier.identifier: D-glutamic acid
chem comp identifier.program: ACD
chem comp identifier.program version: 12.01
chem comp identifier.type: systematic name

DGL,6146,(2R)-2-azanylpentanedioic acid,OECHEM,1.7.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/6146
chem comp identifier.comp id: DGL
chem comp identifier.entry id: 6146
chem comp identifier.identifier: (2R)-2-azanylpentanedioic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.7.0
chem comp identifier.type: systematic name

DAL,6146,D-alanine,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/6146
chem comp identifier.comp id: DAL
chem comp identifier.entry id: 6146
chem comp identifier.identifier: D-alanine
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

DAL,6146,(2R)-2-aminopropanoic acid,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/6146
chem comp identifier.comp id: DAL
chem comp identifier.entry id: 6146
chem comp identifier.identifier: (2R)-2-aminopropanoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

NAG,6146,2-(acetylamino)-2-deoxy-beta-D-glucopyranose,ACD,12.01,systematic name
type: chem comp identifier
of datablock: info:bmrb/6146
chem comp identifier.comp id: NAG
chem comp identifier.entry id: 6146
chem comp identifier.identifier: 2-(acetylamino)-2-deoxy-beta-D-glucopyranose
chem comp identifier.program: ACD
chem comp identifier.program version: 12.01
chem comp identifier.type: systematic name

NAG,6146,N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,OECHEM,1.7.2,systematic name
type: chem comp identifier
of datablock: info:bmrb/6146
chem comp identifier.comp id: NAG
chem comp identifier.entry id: 6146
chem comp identifier.identifier: N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.7.2
chem comp identifier.type: systematic name

POP,6146,dihydrogen diphosphate,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/6146
chem comp identifier.comp id: POP
chem comp identifier.entry id: 6146
chem comp identifier.identifier: dihydrogen diphosphate
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

POP,6146,(hydroxy-oxido-phosphoryl) hydrogen phosphate,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/6146
chem comp identifier.comp id: POP
chem comp identifier.entry id: 6146
chem comp identifier.identifier: (hydroxy-oxido-phosphoryl) hydrogen phosphate
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

1,6146,1
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 1
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.571
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 61460301

1,6146,2
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 2
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 61460301

1,6146,3
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 3
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.167
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.643
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 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.556
chem shift completeness char.sf id: 61460301

1,6146,4
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 4
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 61460301

1,6146,5
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 5
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 61460301

1,6146,6
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 61460301

1,6146,7
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 7
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: CYS
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 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 61460301

1,6146,8
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 8
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.706
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.583
chem shift completeness char.sf id: 61460301

1,6146,9
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 9
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 61460301

1,6146,10
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 10
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.429
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460301

1,6146,11
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 11
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.167
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.556
chem shift completeness char.sf id: 61460301

1,6146,12
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 12
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.615
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.625
chem shift completeness char.sf id: 61460301

1,6146,13
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 13
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 61460301

1,6146,14
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 14
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 61460301

1,6146,15
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 15
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 61460301

1,6146,16
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 16
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.769
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.667
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 61460301

1,6146,17
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 17
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.588
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.583
chem shift completeness char.sf id: 61460301

1,6146,18
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 18
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 61460301

1,6146,19
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 19
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 61460301

1,6146,20
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 20
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 61460301

1,6146,21
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 21
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 61460301

1,6146,22
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 22
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 61460301

1,6146,23
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 23
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 61460301

1,6146,24
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 24
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.500
chem shift completeness char.arom chem shift coverage: 0.250
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.833
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.571
chem shift completeness char.sf id: 61460301

1,6146,25
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 25
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.200
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.636
chem shift completeness char.comp id: VAL
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 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 61460301

1,6146,26
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 26
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.800
chem shift completeness char.chem shift coverage: 0.647
chem shift completeness char.comp id: LYS
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 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.583
chem shift completeness char.sf id: 61460301

1,6146,27
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 27
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460301

1,6146,28
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 28
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460301

2,6146,29
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 29
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,30
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 30
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,31
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 31
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,32
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 32
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,33
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 33
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,34
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 34
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
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.sf id: 61460302

2,6146,35
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 35
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,36
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 36
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,37
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 37
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLY
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.sf id: 61460302

2,6146,38
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 38
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,39
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 39
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 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: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 61460302

2,6146,40
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 40
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,41
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 41
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLY
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.sf id: 61460302

2,6146,42
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 42
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,43
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 43
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,44
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 44
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,45
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 45
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,46
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 46
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,47
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 47
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,48
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 48
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.833
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 61460302

2,6146,49
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 49
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,50
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 50
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,51
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 51
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,52
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 52
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,53
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 53
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,54
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 54
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LYS
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 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 61460302

2,6146,55
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 55
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 61460302

2,6146,56
type: chem shift completeness char
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 6146
chem shift completeness char.id: 56
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.353
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 61460302

1,6146
type: chem shift completeness list
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 6146
chem shift completeness list.arom chem shift 13c fraction: 0/2
chem shift completeness list.arom chem shift 1h fraction: 1/2
chem shift completeness list.arom chem shift fraction: 1/4
chem shift completeness list.assigned residue coverage: 0.578
chem shift completeness list.bb chem shift 13c fraction: 31/81
chem shift completeness list.bb chem shift 15n fraction: 24/27
chem shift completeness list.bb chem shift 1h fraction: 53/58
chem shift completeness list.bb chem shift fraction: 108/166
chem shift completeness list.chem shift 13c fraction: 39/118
chem shift completeness list.chem shift 15n fraction: 26/29
chem shift completeness list.chem shift 1h fraction: 139/161
chem shift completeness list.chem shift fraction: 204/308
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr6146_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 3/15
chem shift completeness list.methyl chem shift 1h fraction: 13/15
chem shift completeness list.methyl chem shift fraction: 16/30
chem shift completeness list.output file name: bmr6146_chem_shift_completeness.str
chem shift completeness list.queried date: 2020-07-22Z
chem shift completeness list.sc chem shift 13c fraction: 19/62
chem shift completeness list.sc chem shift 15n fraction: 2/2
chem shift completeness list.sc chem shift 1h fraction: 86/103
chem shift completeness list.sc chem shift fraction: 107/167
chem shift completeness list.sf category: chem_shift_completeness_list
chem shift completeness list.sf framecode: chem_shift_completeness_list_1
chem shift completeness list.sf id: 61460301

2,6146
type: chem shift completeness list
of datablock: info:bmrb/6146
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 2
chem shift completeness list.entry id: 6146
chem shift completeness list.arom chem shift 13c fraction: 0/4
chem shift completeness list.arom chem shift 1h fraction: 1/4
chem shift completeness list.arom chem shift fraction: 1/8
chem shift completeness list.assigned residue coverage: 0.111
chem shift completeness list.bb chem shift 13c fraction: 40/162
chem shift completeness list.bb chem shift 15n fraction: 26/54
chem shift completeness list.bb chem shift 1h fraction: 61/116
chem shift completeness list.bb chem shift fraction: 127/332
chem shift completeness list.chem shift 13c fraction: 51/236
chem shift completeness list.chem shift 15n fraction: 29/58
chem shift completeness list.chem shift 1h fraction: 163/322
chem shift completeness list.chem shift fraction: 243/616
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr6146_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 6/30
chem shift completeness list.methyl chem shift 1h fraction: 16/30
chem shift completeness list.methyl chem shift fraction: 22/60
chem shift completeness list.output file name: bmr6146_chem_shift_completeness.str
chem shift completeness list.queried date: 2020-07-22Z
chem shift completeness list.sc chem shift 13c fraction: 25/124
chem shift completeness list.sc chem shift 15n fraction: 3/4
chem shift completeness list.sc chem shift 1h fraction: 102/206
chem shift completeness list.sc chem shift fraction: 130/334
chem shift completeness list.sf category: chem_shift_completeness_list
chem shift completeness list.sf framecode: chem_shift_completeness_list_2
chem shift completeness list.sf id: 61460302

1,6146,0
type: chem shift experiment
of datablock: info:bmrb/6146
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 6146
chem shift experiment.experiment id: 0
chem shift experiment.experiment name: na
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

2,6146,0
type: chem shift experiment
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chem shift experiment.assigned chem shift list id: 2
chem shift experiment.entry id: 6146
chem shift experiment.experiment id: 0
chem shift experiment.experiment name: na
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,H,1,6146,DSS
type: chem shift ref
of datablock: info:bmrb/6146
chem shift ref.atom isotope number: 1
chem shift ref.atom type: H
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 6146
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.0
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1.0
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: direct

15,N,1,6146,DSS
type: chem shift ref
of datablock: info:bmrb/6146
chem shift ref.atom isotope number: 15
chem shift ref.atom type: N
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 6146
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.0
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 0.1013291
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref type: indirect

13,C,1,6146,DSS
type: chem shift ref
of datablock: info:bmrb/6146
chem shift ref.atom isotope number: 13
chem shift ref.atom type: C
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 6146
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.0
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 0.2514495
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref type: indirect

6146,1
type: chem shift reference
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reference to entry: entry
chem shift reference.entry id: 6146
chem shift reference.id: 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chemical_shift_reference

6146,1
type: citation
of datablock: info:bmrb/6146
reference to entry: entry
citation.entry id: 6146
citation.id: 1
citation.class: entry citation
citation.doi: 10.1038/nsmb830
citation.journal abbrev: Nat. Struct. Mol. Biol.
citation.journal issn: 1545-9993
citation.journal issue: 10
citation.journal name full: Nature structural & molecular biology
citation.journal volume: 11
citation.page first: 963
citation.page last: 967
citation.pubmed id: 15361862
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: The nisin-lipid II complex reveals a pyrophosphate cage that provides a blueprint for novel antibiotics.
citation.type: journal
citation.year: 2004

info:doi/10.1038/nsmb830

doi:10.1038/nsmb830

urn:ISSN:1545-9993

issn:1545-9993

info:pmid/15361862

pubmed:15361862

6146,2
type: citation
of datablock: info:bmrb/6146
reference to entry: entry
citation.entry id: 6146
citation.id: 2
citation.class: reference citation
citation.details: Nisin is an example of type-A lantibiotics that contain cyclic lanthionine rings and unusual dehydrated amino acids. Among the numerous pore-forming antimicrobial peptides, type-A lantibiotics form an unique family of post-translationally modified peptides. Via the recognition of cell wall precursor lipid II, nisin has the capacity to form pores against Gram-positive bacteria with an extremely high activity in the nanomolar (nM) range. Here we report a high-resolution NMR spectroscopy study of nisin/lipid II interactions in SDS micelles as a model membrane system in order to elucidate the mechanism of molecular recognition at residue level. The binding to lipid II was studied through (15)N-(1)H HSQC titration, backbone amide proton temperature coefficient analysis, and heteronuclear (15)N[(1)H]-NOE relaxation dynamics experiments. Upon the addition of lipid II, significant changes were monitored in the N-terminal part of nisin. An extremely low amide proton temperature coefficient (Delta delta/Delta T) was found for the amide proton of Ala3 (> -0.1 ppb/K) in the complex form. This suggests tight hydrogen bonding and/or isolation from the bulk solvent for this residue. Large chemical shift perturbations were also observed in the first two rings. In contrast, the C-terminal part of nisin was almost unaffected. This part of the molecule remains flexible and solvent-exposed. On the basis of our results, a multistep pore-forming mechanism is proposed. The N-terminal part of nisin first binds to lipid II, and a subsequent structural rearrangement takes place. The C-terminal part of nisin is possibly responsible for the activation of the pore formation. In light of the emerging antibiotic resistance problems, an understanding of the specific recognition mechanism of nisin with lipid II at the residue specific level may therefore aid in the development of novel antibiotics.
citation.full citation: Hsu ST, Breukink E, de Kruijff B, Kaptein R, Bonvin AM, van Nuland NA. Biochemistry. 2002 Jun 18;41(24):7670-6.
citation.journal abbrev: Biochemistry
citation.journal issn: 0006-2960
citation.journal issue: 24
citation.journal name full: Biochemistry
citation.journal volume: 41
citation.page first: 7670
citation.page last: 7676
citation.pubmed id: 12056898
citation.sf category: citations
citation.sf framecode: references
citation.status: published
citation.title: Mapping the targeted membrane pore formation mechanism by solution NMR: the nisin Z and lipid II interaction in SDS micelles.
citation.type: journal
citation.year: 2002

urn:ISSN:0006-2960

issn:0006-2960

info:pmid/12056898

pubmed:12056898

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citation.details: The peptidoglycan layers surrounding bacterial membranes are essential for bacterial cell survival and provide an important target for antibiotics. Many antibiotics have mechanisms of action that involve binding to Lipid II, the prenyl chain-linked donor of the peptidoglycan building blocks. One of these antibiotics, the pore-forming peptide nisin uses Lipid II as a receptor molecule to increase its antimicrobial efficacy dramatically. Nisin is the first example of a targeted membrane-permeabilizing peptide antibiotic. However, it was not known whether Lipid II functions only as a receptor to recruit nisin to bacterial membranes, thus increasing its specificity for bacterial cells, or whether it also plays a role in pore formation. We have developed a new method to produce large amounts of Lipid II and variants thereof so that we can address the role of the lipid-linked disaccharide in the activity of nisin. We show here that Lipid II is not only the receptor for nisin but an intrinsic component of the pore formed by nisin, and we present a new model for the pore complex that includes Lipid II.
citation.doi: 10.1074/jbc.M301463200
citation.full citation: Breukink E, van Heusden HE, Vollmerhaus PJ, Swiezewska E, Brunner L, Walker S, Heck AJ, de Kruijff B. J Biol Chem. 2003 May 30;278(22):19898-903.
citation.journal abbrev: J. Biol. Chem.
citation.journal issn: 0021-9258
citation.journal issue: 22
citation.journal name full: The Journal of biological chemistry
citation.journal volume: 278
citation.page first: 19898
citation.page last: 19903
citation.pubmed id: 12663672
citation.sf category: citations
citation.sf framecode: references_1
citation.status: published
citation.title: Lipid II is an intrinsic component of the pore induced by nisin in bacterial membranes.
citation.type: journal
citation.year: 2003

info:doi/10.1074/jbc.M301463200

doi:10.1074/jbc.M301463200

urn:ISSN:0021-9258

issn:0021-9258

info:pmid/12663672

pubmed:12663672

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entry.accession date: 2004-03-16Z
entry.experimental method: NMR
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entry.title: The pyrophosphate cage: the structure of the nisin/lipid II complex provides a blueprint for novel antibiotics
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6146,3,NMR spectrometer 3,1
type: nmr spectrometer view
of datablock: info:bmrb/6146
nmr spectrometer view.entry id: 6146
nmr spectrometer view.id: 3
nmr spectrometer view.name: NMR_spectrometer_3
nmr spectrometer view.nmr spectrometer list id: 1
nmr spectrometer view.citation id: 0
nmr spectrometer view.field strength: 750
nmr spectrometer view.manufacturer: Bruker
nmr spectrometer view.model: AVANVE

6146,4,NMR spectrometer 4,1
type: nmr spectrometer view
of datablock: info:bmrb/6146
nmr spectrometer view.entry id: 6146
nmr spectrometer view.id: 4
nmr spectrometer view.name: NMR_spectrometer_4
nmr spectrometer view.nmr spectrometer list id: 1
nmr spectrometer view.citation id: 0
nmr spectrometer view.field strength: 900
nmr spectrometer view.manufacturer: Bruker
nmr spectrometer view.model: AVANVE

6144,BMRB,6146
type: related entries
of datablock: info:bmrb/6146
reference to entry: entry
related entries.database accession code: 6144
related entries.database name: BMRB
related entries.entry id: 6146
related entries.relationship: nisin monomer

info:bmrb/6144

6145,BMRB,6146
type: related entries
of datablock: info:bmrb/6146
reference to entry: entry
related entries.database accession code: 6145
related entries.database name: BMRB
related entries.entry id: 6146
related entries.relationship: 3LII in DMSO

info:bmrb/6145

6146,1
type: release
of datablock: info:bmrb/6146
reference to entry: entry
release.entry id: 6146
release.release number: 1
release.author: BMRB
release.date: 2008-07-15Z
release.detail: Updating non-standard residue
release.type: update

6146,1
type: sample
of datablock: info:bmrb/6146
reference to entry: entry
sample.entry id: 6146
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

6146,1,1
type: sample component
of datablock: info:bmrb/6146
sample component.entry id: 6146
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 1.2
sample component.concentration val units: mM
sample component.entity id: 2
sample component.entity label: 3LII
sample component.mol common name: G-gamma-glutamic acid

6146,2,1
type: sample component
of datablock: info:bmrb/6146
sample component.entry id: 6146
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 1.2
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: nisin
sample component.isotopic labeling: [U-100% 15N]
sample component.mol common name: nisin Z

6146,3,1
type: sample component
of datablock: info:bmrb/6146
sample component.entry id: 6146
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 99.9
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: d6-DMSO

6146,1
type: sample condition list
of datablock: info:bmrb/6146
reference to entry: entry
sample condition list.entry id: 6146
sample condition list.id: 1
sample condition list.details: The sample is disolved in pure DMSO so no pH was measured
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: Ex-cond_1

6146,1,temperature
type: sample condition variable
of datablock: info:bmrb/6146
sample condition variable.entry id: 6146
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 300
sample condition variable.val err: 1
sample condition variable.val units: K

6146,1
type: software
of datablock: info:bmrb/6146
reference to entry: entry
software.entry id: 6146
software.id: 1
software.name: NMRPipe
software.sf category: software
software.sf framecode: NMRPipe

6146,2
type: software
of datablock: info:bmrb/6146
reference to entry: entry
software.entry id: 6146
software.id: 2
software.name: NMRView
software.sf category: software
software.sf framecode: NMRView