info:bmrb/51128
type: datablock
references: doi:10.13018/BMR51128
alternative label: bmr51128
title: 1H, 13C, and 15N resonance assignment of mouse lipocalin-type prostaglandin D synthase/PGJ2 complex.
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1,51128,28
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atom chem shift.val err: 0.0

1,51128,33
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 6
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 6
atom chem shift.val: 120.407
atom chem shift.val err: 0.0

1,51128,34
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.539
atom chem shift.val err: 0.0

1,51128,35
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.274
atom chem shift.val err: 0.0

1,51128,36
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 1.791
atom chem shift.val err: 0.0

1,51128,37
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,38
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 53.311
atom chem shift.val err: 0.0

1,51128,39
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 29.977
atom chem shift.val err: 0.0

1,51128,40
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 7
atom chem shift.val: 127.434
atom chem shift.val err: 0.0

1,51128,41
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.413
atom chem shift.val err: 0.0

1,51128,42
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.946
atom chem shift.val err: 0.0

1,51128,43
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.364
atom chem shift.val err: 0.0

1,51128,44
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,45
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.071
atom chem shift.val err: 0.0

1,51128,46
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 3.732
atom chem shift.val err: 0.0

1,51128,47
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,48
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 63.282
atom chem shift.val err: 0.0

1,51128,49
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,50
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 27.898
atom chem shift.val err: 0.0

1,51128,51
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,52
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,53
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,54
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,55
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,56
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,57
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 37.99
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1,51128,58
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,59
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,60
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,61
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,62
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,63
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,64
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,65
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,66
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,67
type: atom chem shift
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1,51128,68
type: atom chem shift
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atom chem shift.val err: 0.0

1,51128,69
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 69
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 35
atom chem shift.comp id: GLN
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 1.997
atom chem shift.val err: 0.0

1,51128,70
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 70
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 35
atom chem shift.comp id: GLN
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 2.29
atom chem shift.val err: 0.0

1,51128,71
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 71
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HG3
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atom chem shift.auth seq id: 35
atom chem shift.comp id: GLN
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 2.339
atom chem shift.val err: 0.0

1,51128,72
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 72
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 53.079
atom chem shift.val err: 0.0

1,51128,73
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 73
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 29.74
atom chem shift.val err: 0.0

1,51128,74
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 74
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 33.027
atom chem shift.val err: 0.0

1,51128,75
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 75
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 35
atom chem shift.comp id: GLN
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 128.374
atom chem shift.val err: 0.0

1,51128,76
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 76
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 8.727
atom chem shift.val err: 0.0

1,51128,77
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 77
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 3.474
atom chem shift.val err: 0.0

1,51128,78
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 78
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 2.113
atom chem shift.val err: 0.0

1,51128,79
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 79
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 2.24
atom chem shift.val err: 0.0

1,51128,80
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 12
atom chem shift.val: 2.335
atom chem shift.val err: 0.0

1,51128,81
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: GLN
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 12
atom chem shift.val: 2.501
atom chem shift.val err: 0.0

1,51128,82
type: atom chem shift
of datablock: info:bmrb/51128
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: 12
atom chem shift.val: 60.111
atom chem shift.val err: 0.0

1,51128,83
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 12
atom chem shift.val: 29.707
atom chem shift.val err: 0.0

1,51128,84
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 12
atom chem shift.val: 35.766
atom chem shift.val err: 0.0

1,51128,85
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 85
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 12
atom chem shift.val: 124.697
atom chem shift.val err: 0.0

1,51128,86
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.599
atom chem shift.val err: 0.0

1,51128,87
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.196
atom chem shift.val err: 0.0

1,51128,88
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.24
atom chem shift.val err: 0.0

1,51128,89
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.553
atom chem shift.val err: 0.0

1,51128,90
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 56.419
atom chem shift.val err: 0.0

1,51128,91
type: atom chem shift
of datablock: info:bmrb/51128
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: 39.558
atom chem shift.val err: 0.0

1,51128,92
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 92
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 13
atom chem shift.val: 114.034
atom chem shift.val err: 0.0

1,51128,93
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.val: 6.858
atom chem shift.val err: 0.0

1,51128,94
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.04
atom chem shift.val err: 0.0

1,51128,95
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.532
atom chem shift.val err: 0.0

1,51128,96
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,97
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.148
atom chem shift.val err: 0.0

1,51128,98
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,99
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,100
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,101
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,102
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,103
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,104
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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type: atom chem shift
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1,51128,106
type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,108
type: atom chem shift
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1,51128,109
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,110
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1,51128,111
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1,51128,112
type: atom chem shift
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1,51128,113
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,114
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,115
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of datablock: info:bmrb/51128
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1,51128,116
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1,51128,117
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1,51128,118
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1,51128,120
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1,51128,121
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1,51128,122
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1,51128,123
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1,51128,124
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1,51128,125
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1,51128,126
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1,51128,127
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1,51128,128
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1,51128,129
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1,51128,130
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1,51128,131
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1,51128,132
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1,51128,133
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1,51128,134
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1,51128,135
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1,51128,142
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1,51128,144
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1,51128,145
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1,51128,146
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1,51128,148
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1,51128,149
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1,51128,150
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1,51128,151
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1,51128,152
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1,51128,153
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1,51128,155
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1,51128,156
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1,51128,157
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1,51128,159
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1,51128,161
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1,51128,162
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1,51128,163
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1,51128,169
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1,51128,181
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1,51128,186
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1,51128,187
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1,51128,188
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1,51128,189
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1,51128,191
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atom chem shift.val: 7.577
atom chem shift.val err: 0.0

1,51128,250
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.245
atom chem shift.val err: 0.0

1,51128,251
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.943
atom chem shift.val err: 0.0

1,51128,252
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.232
atom chem shift.val err: 0.0

1,51128,253
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.968
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1,51128,254
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,255
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 1.457
atom chem shift.val err: 0.0

1,51128,256
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.4
atom chem shift.val err: 0.0

1,51128,257
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
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atom chem shift.val: 2.919
atom chem shift.val err: 0.0

1,51128,258
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.872
atom chem shift.val err: 0.0

1,51128,259
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
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atom chem shift.val: 60.266
atom chem shift.val err: 0.0

1,51128,260
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 31.548
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1,51128,261
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 23.683
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1,51128,262
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 29.99
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1,51128,263
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 41.943
atom chem shift.val err: 0.0

1,51128,264
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 118.933
atom chem shift.val err: 0.0

1,51128,265
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 7.988
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1,51128,266
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 4.184
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1,51128,267
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,268
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,269
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,270
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,271
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,272
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,273
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,274
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,275
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,276
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,277
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,278
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,279
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.894
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1,51128,280
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,281
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,282
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,283
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,284
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 21.321
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1,51128,285
type: atom chem shift
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atom chem shift.val err: 0.0

1,51128,286
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,287
type: atom chem shift
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1,51128,288
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,289
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,290
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1,51128,291
type: atom chem shift
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1,51128,292
type: atom chem shift
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1,51128,293
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1,51128,294
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1,51128,295
type: atom chem shift
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1,51128,296
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of datablock: info:bmrb/51128
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1,51128,297
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1,51128,298
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1,51128,299
type: atom chem shift
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1,51128,300
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1,51128,301
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1,51128,302
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1,51128,303
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1,51128,304
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1,51128,305
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1,51128,306
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1,51128,307
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1,51128,308
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1,51128,309
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1,51128,310
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1,51128,311
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1,51128,312
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1,51128,313
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1,51128,314
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1,51128,315
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1,51128,316
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1,51128,317
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1,51128,318
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1,51128,319
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1,51128,320
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1,51128,321
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: CYS
atom chem shift.auth seq id: 65
atom chem shift.comp id: CYS
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 119.655
atom chem shift.val err: 0.0

1,51128,322
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 322
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 8.147
atom chem shift.val err: 0.0

1,51128,323
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 323
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 4.895
atom chem shift.val err: 0.0

1,51128,324
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 324
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 1.727
atom chem shift.val err: 0.0

1,51128,325
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 325
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 1.88
atom chem shift.val err: 0.0

1,51128,326
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 326
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 1.399
atom chem shift.val err: 0.0

1,51128,327
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 327
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 66
atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 1.552
atom chem shift.val err: 0.0

1,51128,328
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 328
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 66
atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 1.638
atom chem shift.val err: 0.0

1,51128,329
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 329
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 1.937
atom chem shift.val err: 0.0

1,51128,330
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 330
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 2.82
atom chem shift.val err: 0.0

1,51128,331
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 331
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 55.069
atom chem shift.val err: 0.0

1,51128,332
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 35.37
atom chem shift.val err: 0.0

1,51128,333
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 33.856
atom chem shift.val err: 0.0

1,51128,334
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 24.49
atom chem shift.val err: 0.0

1,51128,335
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 41.303
atom chem shift.val err: 0.0

1,51128,336
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 336
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 121.769
atom chem shift.val err: 0.0

1,51128,337
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 9.383
atom chem shift.val err: 0.0

1,51128,338
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: THR
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 5.343
atom chem shift.val err: 0.0

1,51128,339
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: THR
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 5.015
atom chem shift.val err: 0.0

1,51128,340
type: atom chem shift
of datablock: info:bmrb/51128
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: 61.768
atom chem shift.val err: 0.0

1,51128,341
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
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atom chem shift.val: 71.736
atom chem shift.val err: 0.0

1,51128,342
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 342
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
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atom chem shift.val: 124.412
atom chem shift.val err: 0.0

1,51128,343
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 343
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atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
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atom chem shift.val: 9.003
atom chem shift.val err: 0.0

1,51128,344
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp index id: 44
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atom chem shift.val: 4.452
atom chem shift.val err: 0.0

1,51128,345
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 44
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atom chem shift.val: 1.897
atom chem shift.val err: 0.0

1,51128,346
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 346
atom chem shift.ambiguity code: 2
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atom chem shift.comp index id: 44
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atom chem shift.val: 0.853
atom chem shift.val err: 0.0

1,51128,347
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.853
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1,51128,348
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 44
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atom chem shift.val: 0.853
atom chem shift.val err: 0.0

1,51128,349
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 44
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atom chem shift.val: 0.78
atom chem shift.val err: 0.0

1,51128,350
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 350
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 44
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atom chem shift.val: 0.78
atom chem shift.val err: 0.0

1,51128,351
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 351
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 44
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atom chem shift.val: 0.78
atom chem shift.val err: 0.0

1,51128,352
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 44
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atom chem shift.seq id: 44
atom chem shift.val: 61.571
atom chem shift.val err: 0.0

1,51128,353
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 353
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
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atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 68
atom chem shift.comp id: VAL
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
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atom chem shift.val: 33.399
atom chem shift.val err: 0.0

1,51128,354
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 354
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
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atom chem shift.val: 21.659
atom chem shift.val err: 0.0

1,51128,355
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 355
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: VAL
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 44
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atom chem shift.val: 21.559
atom chem shift.val err: 0.0

1,51128,356
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 356
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 68
atom chem shift.comp id: VAL
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 126.738
atom chem shift.val err: 0.0

1,51128,357
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 357
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 9.371
atom chem shift.val err: 0.0

1,51128,358
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 358
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 4.592
atom chem shift.val err: 0.0

1,51128,359
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 359
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 2.296
atom chem shift.val err: 0.0

1,51128,360
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 360
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.881
atom chem shift.val err: 0.0

1,51128,361
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 361
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG12
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.881
atom chem shift.val err: 0.0

1,51128,362
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 362
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.881
atom chem shift.val err: 0.0

1,51128,363
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 363
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.947
atom chem shift.val err: 0.0

1,51128,364
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 364
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.947
atom chem shift.val err: 0.0

1,51128,365
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 365
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.947
atom chem shift.val err: 0.0

1,51128,366
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 366
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 61.843
atom chem shift.val err: 0.0

1,51128,367
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 367
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 32.829
atom chem shift.val err: 0.0

1,51128,368
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 368
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 23.677
atom chem shift.val err: 0.0

1,51128,369
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 369
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 21.651
atom chem shift.val err: 0.0

1,51128,370
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 370
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 69
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 130.875
atom chem shift.val err: 0.0

1,51128,371
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 371
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 70
atom chem shift.comp id: ALA
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 9.3
atom chem shift.val err: 0.0

1,51128,372
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 372
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 70
atom chem shift.comp id: ALA
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 5.088
atom chem shift.val err: 0.0

1,51128,373
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 373
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB1
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 70
atom chem shift.comp id: ALA
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 1.467
atom chem shift.val err: 0.0

1,51128,374
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 374
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 70
atom chem shift.comp id: ALA
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 1.467
atom chem shift.val err: 0.0

1,51128,375
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 375
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 70
atom chem shift.comp id: ALA
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 1.467
atom chem shift.val err: 0.0

1,51128,376
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 376
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 70
atom chem shift.comp id: ALA
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 49.745
atom chem shift.val err: 0.0

1,51128,377
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 377
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 70
atom chem shift.comp id: ALA
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 21.464
atom chem shift.val err: 0.0

1,51128,378
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 378
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 70
atom chem shift.comp id: ALA
atom chem shift.comp index id: 46
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 46
atom chem shift.val: 107.491
atom chem shift.val err: 0.0

1,51128,379
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 379
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 71
atom chem shift.comp id: PRO
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 4.778
atom chem shift.val err: 0.0

1,51128,380
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 380
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 71
atom chem shift.comp id: PRO
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 1.969
atom chem shift.val err: 0.0

1,51128,381
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 381
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
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atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 71
atom chem shift.comp id: PRO
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 2.409
atom chem shift.val err: 0.0

1,51128,382
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 382
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 71
atom chem shift.comp id: PRO
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 1.962
atom chem shift.val err: 0.0

1,51128,383
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 383
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 71
atom chem shift.comp id: PRO
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 2.065
atom chem shift.val err: 0.0

1,51128,384
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 384
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 71
atom chem shift.comp id: PRO
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 4.345
atom chem shift.val err: 0.0

1,51128,385
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 385
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD3
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 71
atom chem shift.comp id: PRO
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 4.412
atom chem shift.val err: 0.0

1,51128,386
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 386
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 71
atom chem shift.comp id: PRO
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 62.974
atom chem shift.val err: 0.0

1,51128,387
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 387
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: PRO
atom chem shift.auth seq id: 71
atom chem shift.comp id: PRO
atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 32.253
atom chem shift.val err: 0.0

1,51128,388
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 388
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 72
atom chem shift.comp id: SER
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 8.062
atom chem shift.val err: 0.0

1,51128,389
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 389
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 72
atom chem shift.comp id: SER
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 4.902
atom chem shift.val err: 0.0

1,51128,390
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 390
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 72
atom chem shift.comp id: SER
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 3.461
atom chem shift.val err: 0.0

1,51128,391
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 391
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 72
atom chem shift.comp id: SER
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 4.058
atom chem shift.val err: 0.0

1,51128,392
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 392
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 72
atom chem shift.comp id: SER
atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 55.621
atom chem shift.val err: 0.0

1,51128,393
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 393
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
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atom chem shift.val: 65.286
atom chem shift.val err: 0.0

1,51128,394
type: atom chem shift
of datablock: info:bmrb/51128
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: 117.437
atom chem shift.val err: 0.0

1,51128,395
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.119
atom chem shift.val err: 0.0

1,51128,396
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.32
atom chem shift.val err: 0.0

1,51128,397
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.31
atom chem shift.val err: 0.0

1,51128,398
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,399
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,400
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,401
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,402
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 68.643
atom chem shift.val err: 0.0

1,51128,403
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,404
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.438
atom chem shift.val err: 0.0

1,51128,405
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,406
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,407
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,408
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,409
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,410
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,411
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,412
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,413
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,414
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,415
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,416
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,417
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,418
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,419
type: atom chem shift
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1,51128,420
type: atom chem shift
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1,51128,421
type: atom chem shift
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1,51128,422
type: atom chem shift
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1,51128,423
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of datablock: info:bmrb/51128
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1,51128,424
type: atom chem shift
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1,51128,425
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1,51128,426
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1,51128,427
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1,51128,428
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1,51128,429
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atom chem shift.val: 0.746
atom chem shift.val err: 0.0

1,51128,430
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,431
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 0.605
atom chem shift.val err: 0.0

1,51128,432
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,433
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,434
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,435
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,436
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,437
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,438
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 25.172
atom chem shift.val err: 0.0

1,51128,439
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 120.316
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1,51128,440
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,441
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,442
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,443
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,444
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,445
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,446
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,447
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of datablock: info:bmrb/51128
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1,51128,448
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of datablock: info:bmrb/51128
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1,51128,449
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1,51128,450
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1,51128,451
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type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,454
type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
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type: atom chem shift
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1,51128,458
type: atom chem shift
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1,51128,459
type: atom chem shift
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1,51128,460
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1,51128,461
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1,51128,462
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atom chem shift.val: 4.038
atom chem shift.val err: 0.0

1,51128,466
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.065
atom chem shift.val err: 0.0

1,51128,467
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.063
atom chem shift.val err: 0.0

1,51128,468
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.063
atom chem shift.val err: 0.0

1,51128,469
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,470
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 62.334
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1,51128,471
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 68.955
atom chem shift.val err: 0.0

1,51128,472
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 21.356
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1,51128,473
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 122.624
atom chem shift.val err: 0.0

1,51128,474
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.48
atom chem shift.val err: 0.0

1,51128,475
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.495
atom chem shift.val err: 0.0

1,51128,476
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.853
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1,51128,477
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,478
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,479
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,480
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,481
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,482
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,483
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,484
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,485
type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
of datablock: info:bmrb/51128
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of datablock: info:bmrb/51128
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of datablock: info:bmrb/51128
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1,51128,491
type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
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1,51128,494
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,495
type: atom chem shift
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1,51128,496
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,497
type: atom chem shift
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atom chem shift.val: 3.023
atom chem shift.val err: 0.0

1,51128,502
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 58.408
atom chem shift.val err: 0.0

1,51128,503
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 30.036
atom chem shift.val err: 0.0

1,51128,504
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 25.536
atom chem shift.val err: 0.0

1,51128,505
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 25.699
atom chem shift.val err: 0.0

1,51128,506
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 41.99
atom chem shift.val err: 0.0

1,51128,507
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.662
atom chem shift.val err: 0.0

1,51128,508
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.443
atom chem shift.val err: 0.0

1,51128,509
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.854
atom chem shift.val err: 0.0

1,51128,510
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,511
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 54.225
atom chem shift.val err: 0.0

1,51128,512
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,513
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 112.722
atom chem shift.val err: 0.0

1,51128,514
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,515
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,516
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 1.999
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1,51128,517
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,518
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,519
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,520
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,521
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,522
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,523
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,524
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,525
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of datablock: info:bmrb/51128
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1,51128,527
type: atom chem shift
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1,51128,528
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,529
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,530
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of datablock: info:bmrb/51128
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1,51128,531
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,532
type: atom chem shift
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1,51128,533
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,534
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atom chem shift.val: 36.647
atom chem shift.val err: 0.0

1,51128,538
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
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atom chem shift.val: 127.378
atom chem shift.val err: 0.0

1,51128,539
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.145
atom chem shift.val err: 0.0

1,51128,540
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.28
atom chem shift.val err: 0.0

1,51128,541
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.051
atom chem shift.val err: 0.0

1,51128,542
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,543
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,544
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,545
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,546
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,547
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 71.948
atom chem shift.val err: 0.0

1,51128,548
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 114.318
atom chem shift.val err: 0.0

1,51128,549
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,550
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,551
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,552
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,553
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,554
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,555
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,556
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,557
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,558
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,559
type: atom chem shift
of datablock: info:bmrb/51128
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of datablock: info:bmrb/51128
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1,51128,561
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of datablock: info:bmrb/51128
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of datablock: info:bmrb/51128
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1,51128,563
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,564
type: atom chem shift
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1,51128,566
type: atom chem shift
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type: atom chem shift
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 93
atom chem shift.comp id: ILE
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 40.058
atom chem shift.val err: 0.0

1,51128,574
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 574
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 93
atom chem shift.comp id: ILE
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 28.311
atom chem shift.val err: 0.0

1,51128,575
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 575
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 93
atom chem shift.comp id: ILE
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 17.473
atom chem shift.val err: 0.0

1,51128,576
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 576
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 93
atom chem shift.comp id: ILE
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 13.935
atom chem shift.val err: 0.0

1,51128,577
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 577
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 93
atom chem shift.comp id: ILE
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 125.514
atom chem shift.val err: 0.0

1,51128,578
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 578
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 9.082
atom chem shift.val err: 0.0

1,51128,579
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 579
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 4.81
atom chem shift.val err: 0.0

1,51128,580
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 580
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 1.937
atom chem shift.val err: 0.0

1,51128,581
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 581
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 2.384
atom chem shift.val err: 0.0

1,51128,582
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 582
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 2.962
atom chem shift.val err: 0.0

1,51128,583
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 583
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE1
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 1.573
atom chem shift.val err: 0.0

1,51128,584
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 584
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE2
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 1.573
atom chem shift.val err: 0.0

1,51128,585
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 585
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE3
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 1.573
atom chem shift.val err: 0.0

1,51128,586
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 586
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 54.56
atom chem shift.val err: 0.0

1,51128,587
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 587
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 37.074
atom chem shift.val err: 0.0

1,51128,588
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 588
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 32.144
atom chem shift.val err: 0.0

1,51128,589
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 589
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
atom chem shift.atom type: C
atom chem shift.auth atom id: CE
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 18.785
atom chem shift.val err: 0.0

1,51128,590
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 590
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 94
atom chem shift.comp id: MET
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 127.415
atom chem shift.val err: 0.0

1,51128,591
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 591
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 8.531
atom chem shift.val err: 0.0

1,51128,592
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 592
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 4.704
atom chem shift.val err: 0.0

1,51128,593
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 593
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 2.007
atom chem shift.val err: 0.0

1,51128,594
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 594
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 0.998
atom chem shift.val err: 0.0

1,51128,595
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 595
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG12
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 0.998
atom chem shift.val err: 0.0

1,51128,596
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 596
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 0.998
atom chem shift.val err: 0.0

1,51128,597
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 597
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 0.945
atom chem shift.val err: 0.0

1,51128,598
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 598
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 0.945
atom chem shift.val err: 0.0

1,51128,599
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 599
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 0.945
atom chem shift.val err: 0.0

1,51128,600
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 600
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 61.911
atom chem shift.val err: 0.0

1,51128,601
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 601
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 33.686
atom chem shift.val err: 0.0

1,51128,602
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 602
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 21.193
atom chem shift.val err: 0.0

1,51128,603
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 603
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 21.743
atom chem shift.val err: 0.0

1,51128,604
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 604
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 95
atom chem shift.comp id: VAL
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 123.779
atom chem shift.val err: 0.0

1,51128,605
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 605
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 96
atom chem shift.comp id: LEU
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 9.331
atom chem shift.val err: 0.0

1,51128,606
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 606
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 96
atom chem shift.comp id: LEU
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 5.059
atom chem shift.val err: 0.0

1,51128,607
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 607
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 96
atom chem shift.comp id: LEU
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 1.223
atom chem shift.val err: 0.0

1,51128,608
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 608
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD11
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 96
atom chem shift.comp id: LEU
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 0.748
atom chem shift.val err: 0.0

1,51128,609
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 609
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 72
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atom chem shift.val: 0.748
atom chem shift.val err: 0.0

1,51128,610
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.748
atom chem shift.val err: 0.0

1,51128,611
type: atom chem shift
of datablock: info:bmrb/51128
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: 72
atom chem shift.val: 0.382
atom chem shift.val err: 0.0

1,51128,612
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.382
atom chem shift.val err: 0.0

1,51128,613
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.382
atom chem shift.val err: 0.0

1,51128,614
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 53.6
atom chem shift.val err: 0.0

1,51128,615
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 42.145
atom chem shift.val err: 0.0

1,51128,616
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 29.111
atom chem shift.val err: 0.0

1,51128,617
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 24.23
atom chem shift.val err: 0.0

1,51128,618
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 25.152
atom chem shift.val err: 0.0

1,51128,619
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 129.549
atom chem shift.val err: 0.0

1,51128,620
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.372
atom chem shift.val err: 0.0

1,51128,621
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,622
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,623
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,624
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 125.56
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1,51128,625
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.289
atom chem shift.val err: 0.0

1,51128,626
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,627
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,628
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,629
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,630
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,631
type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,633
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,634
type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,636
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,637
type: atom chem shift
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1,51128,638
type: atom chem shift
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1,51128,639
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,640
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,641
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,642
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of datablock: info:bmrb/51128
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type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
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atom chem shift.val err: 0.0

1,51128,647
type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
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1,51128,650
type: atom chem shift
of datablock: info:bmrb/51128
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of datablock: info:bmrb/51128
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type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,655
type: atom chem shift
of datablock: info:bmrb/51128
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type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,657
type: atom chem shift
of datablock: info:bmrb/51128
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of datablock: info:bmrb/51128
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atom chem shift.val: 5.612
atom chem shift.val err: 0.0

1,51128,682
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.764
atom chem shift.val err: 0.0

1,51128,683
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.084
atom chem shift.val err: 0.0

1,51128,684
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,685
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,686
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,687
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,688
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,689
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,690
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.92
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1,51128,691
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,692
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,693
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,694
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,695
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,696
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,697
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,698
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,699
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,700
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,701
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of datablock: info:bmrb/51128
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of datablock: info:bmrb/51128
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1,51128,703
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of datablock: info:bmrb/51128
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1,51128,704
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of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,705
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,706
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,707
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,708
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1,51128,709
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1,51128,710
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1,51128,711
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1,51128,712
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1,51128,713
type: atom chem shift
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1,51128,714
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 114
atom chem shift.comp id: SER
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 57.513
atom chem shift.val err: 0.0

1,51128,718
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 718
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 114
atom chem shift.comp id: SER
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 64.875
atom chem shift.val err: 0.0

1,51128,719
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 719
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 114
atom chem shift.comp id: SER
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 114.313
atom chem shift.val err: 0.0

1,51128,720
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 720
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 8.31
atom chem shift.val err: 0.0

1,51128,721
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 721
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 4.476
atom chem shift.val err: 0.0

1,51128,722
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 722
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 1.731
atom chem shift.val err: 0.0

1,51128,723
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 723
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG12
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 1.179
atom chem shift.val err: 0.0

1,51128,724
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 724
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 1.227
atom chem shift.val err: 0.0

1,51128,725
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 725
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 1.512
atom chem shift.val err: 0.0

1,51128,726
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 726
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 1.512
atom chem shift.val err: 0.0

1,51128,727
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 727
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 1.512
atom chem shift.val err: 0.0

1,51128,728
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 728
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD11
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 0.791
atom chem shift.val err: 0.0

1,51128,729
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 729
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD12
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 0.791
atom chem shift.val err: 0.0

1,51128,730
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 730
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 0.791
atom chem shift.val err: 0.0

1,51128,731
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 731
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 60.085
atom chem shift.val err: 0.0

1,51128,732
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 732
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 37.686
atom chem shift.val err: 0.0

1,51128,733
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 733
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 27.536
atom chem shift.val err: 0.0

1,51128,734
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 734
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 17.506
atom chem shift.val err: 0.0

1,51128,735
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 735
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 11.857
atom chem shift.val err: 0.0

1,51128,736
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 736
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 115
atom chem shift.comp id: ILE
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 122.038
atom chem shift.val err: 0.0

1,51128,737
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 737
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 116
atom chem shift.comp id: HIS
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 9.045
atom chem shift.val err: 0.0

1,51128,738
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 738
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: HIS
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 5.161
atom chem shift.val err: 0.0

1,51128,739
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 739
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 116
atom chem shift.comp id: HIS
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 2.775
atom chem shift.val err: 0.0

1,51128,740
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 740
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: HIS
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atom chem shift.comp id: HIS
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 53.101
atom chem shift.val err: 0.0

1,51128,741
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 741
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 116
atom chem shift.comp id: HIS
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 33.703
atom chem shift.val err: 0.0

1,51128,742
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 742
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 116
atom chem shift.comp id: HIS
atom chem shift.comp index id: 92
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 128.429
atom chem shift.val err: 0.0

1,51128,743
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 743
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: SER
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atom chem shift.comp id: SER
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 8.944
atom chem shift.val err: 0.0

1,51128,744
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 744
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: SER
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atom chem shift.comp id: SER
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 5.267
atom chem shift.val err: 0.0

1,51128,745
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 745
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
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atom chem shift.auth comp id: SER
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atom chem shift.comp id: SER
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 3.871
atom chem shift.val err: 0.0

1,51128,746
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 746
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: SER
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atom chem shift.comp id: SER
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 56.888
atom chem shift.val err: 0.0

1,51128,747
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 747
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: SER
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atom chem shift.comp id: SER
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 64.801
atom chem shift.val err: 0.0

1,51128,748
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 748
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 117
atom chem shift.comp id: SER
atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 115.577
atom chem shift.val err: 0.0

1,51128,749
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 749
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 9.373
atom chem shift.val err: 0.0

1,51128,750
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 750
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 3.963
atom chem shift.val err: 0.0

1,51128,751
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 751
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 2.177
atom chem shift.val err: 0.0

1,51128,752
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 752
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atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 0.91
atom chem shift.val err: 0.0

1,51128,753
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 753
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG12
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 0.91
atom chem shift.val err: 0.0

1,51128,754
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 754
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 0.91
atom chem shift.val err: 0.0

1,51128,755
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 755
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 0.866
atom chem shift.val err: 0.0

1,51128,756
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 756
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 0.866
atom chem shift.val err: 0.0

1,51128,757
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 757
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 0.866
atom chem shift.val err: 0.0

1,51128,758
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 758
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 59.924
atom chem shift.val err: 0.0

1,51128,759
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 759
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 35.099
atom chem shift.val err: 0.0

1,51128,760
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 760
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 22.716
atom chem shift.val err: 0.0

1,51128,761
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 761
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 20.745
atom chem shift.val err: 0.0

1,51128,762
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 762
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 118
atom chem shift.comp id: VAL
atom chem shift.comp index id: 94
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 123.606
atom chem shift.val err: 0.0

1,51128,763
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 763
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 119
atom chem shift.comp id: SER
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 8.779
atom chem shift.val err: 0.0

1,51128,764
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 764
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 119
atom chem shift.comp id: SER
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 5.555
atom chem shift.val err: 0.0

1,51128,765
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 765
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 119
atom chem shift.comp id: SER
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 3.641
atom chem shift.val err: 0.0

1,51128,766
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 766
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 119
atom chem shift.comp id: SER
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 56.039
atom chem shift.val err: 0.0

1,51128,767
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 767
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 119
atom chem shift.comp id: SER
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 65.69
atom chem shift.val err: 0.0

1,51128,768
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 768
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: SER
atom chem shift.auth seq id: 119
atom chem shift.comp id: SER
atom chem shift.comp index id: 95
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 121.015
atom chem shift.val err: 0.0

1,51128,769
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 769
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 8.367
atom chem shift.val err: 0.0

1,51128,770
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 770
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 3.958
atom chem shift.val err: 0.0

1,51128,771
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 771
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 1.416
atom chem shift.val err: 0.0

1,51128,772
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 772
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 0.465
atom chem shift.val err: 0.0

1,51128,773
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 773
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG12
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 0.465
atom chem shift.val err: 0.0

1,51128,774
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 774
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 0.465
atom chem shift.val err: 0.0

1,51128,775
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 775
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 0.39
atom chem shift.val err: 0.0

1,51128,776
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 776
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 0.39
atom chem shift.val err: 0.0

1,51128,777
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 777
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 0.39
atom chem shift.val err: 0.0

1,51128,778
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 778
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 62.183
atom chem shift.val err: 0.0

1,51128,779
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 779
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 29.47
atom chem shift.val err: 0.0

1,51128,780
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 780
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 21.421
atom chem shift.val err: 0.0

1,51128,781
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 781
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 18.657
atom chem shift.val err: 0.0

1,51128,782
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 782
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 120
atom chem shift.comp id: VAL
atom chem shift.comp index id: 96
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 124.748
atom chem shift.val err: 0.0

1,51128,783
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 783
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 8.381
atom chem shift.val err: 0.0

1,51128,784
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 784
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 3.725
atom chem shift.val err: 0.0

1,51128,785
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 785
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 1.714
atom chem shift.val err: 0.0

1,51128,786
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 786
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 0.999
atom chem shift.val err: 0.0

1,51128,787
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 787
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG12
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 0.999
atom chem shift.val err: 0.0

1,51128,788
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 788
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 0.999
atom chem shift.val err: 0.0

1,51128,789
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 789
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 0.921
atom chem shift.val err: 0.0

1,51128,790
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 790
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 0.921
atom chem shift.val err: 0.0

1,51128,791
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 791
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 0.921
atom chem shift.val err: 0.0

1,51128,792
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 792
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 65.082
atom chem shift.val err: 0.0

1,51128,793
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 793
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 32.654
atom chem shift.val err: 0.0

1,51128,794
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 794
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 21.861
atom chem shift.val err: 0.0

1,51128,795
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 795
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 21.698
atom chem shift.val err: 0.0

1,51128,796
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 796
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 121
atom chem shift.comp id: VAL
atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 129.147
atom chem shift.val err: 0.0

1,51128,797
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 797
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 122
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 7.276
atom chem shift.val err: 0.0

1,51128,798
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 798
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 122
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 4.732
atom chem shift.val err: 0.0

1,51128,799
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 799
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 122
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 1.327
atom chem shift.val err: 0.0

1,51128,800
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 800
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 122
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 55.127
atom chem shift.val err: 0.0

1,51128,801
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 801
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 122
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 34.262
atom chem shift.val err: 0.0

1,51128,802
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 802
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 122
atom chem shift.comp id: GLU
atom chem shift.comp index id: 98
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 98
atom chem shift.val: 114.297
atom chem shift.val err: 0.0

1,51128,803
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 803
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 123
atom chem shift.comp id: ALA
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 8.73
atom chem shift.val err: 0.0

1,51128,804
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 804
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 123
atom chem shift.comp id: ALA
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 4.37
atom chem shift.val err: 0.0

1,51128,805
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 805
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB1
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 123
atom chem shift.comp id: ALA
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 0.888
atom chem shift.val err: 0.0

1,51128,806
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 806
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 123
atom chem shift.comp id: ALA
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 0.888
atom chem shift.val err: 0.0

1,51128,807
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 807
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 123
atom chem shift.comp id: ALA
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 0.888
atom chem shift.val err: 0.0

1,51128,808
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 808
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 123
atom chem shift.comp id: ALA
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 52.178
atom chem shift.val err: 0.0

1,51128,809
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 809
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 123
atom chem shift.comp id: ALA
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 21.542
atom chem shift.val err: 0.0

1,51128,810
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 810
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 123
atom chem shift.comp id: ALA
atom chem shift.comp index id: 99
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 99
atom chem shift.val: 124.703
atom chem shift.val err: 0.0

1,51128,811
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 811
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 129
atom chem shift.comp id: ALA
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 9.178
atom chem shift.val err: 0.0

1,51128,812
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 812
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 129
atom chem shift.comp id: ALA
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 4.728
atom chem shift.val err: 0.0

1,51128,813
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 813
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB1
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 129
atom chem shift.comp id: ALA
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 0.893
atom chem shift.val err: 0.0

1,51128,814
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 814
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 129
atom chem shift.comp id: ALA
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 0.893
atom chem shift.val err: 0.0

1,51128,815
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 815
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.atom type: H
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atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 129
atom chem shift.comp id: ALA
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 0.893
atom chem shift.val err: 0.0

1,51128,816
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 816
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 129
atom chem shift.comp id: ALA
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 51.679
atom chem shift.val err: 0.0

1,51128,817
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 817
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 129
atom chem shift.comp id: ALA
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 22.591
atom chem shift.val err: 0.0

1,51128,818
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 818
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 129
atom chem shift.comp id: ALA
atom chem shift.comp index id: 105
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 105
atom chem shift.val: 120.479
atom chem shift.val err: 0.0

1,51128,819
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 819
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 130
atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 9.051
atom chem shift.val err: 0.0

1,51128,820
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 820
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: H
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 130
atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 5.187
atom chem shift.val err: 0.0

1,51128,821
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 821
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 1.009
atom chem shift.val err: 0.0

1,51128,822
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 822
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 130
atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 1.275
atom chem shift.val err: 0.0

1,51128,823
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 823
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 130
atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 0.702
atom chem shift.val err: 0.0

1,51128,824
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 824
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 0.702
atom chem shift.val err: 0.0

1,51128,825
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 825
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 130
atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 0.702
atom chem shift.val err: 0.0

1,51128,826
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 826
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 0.554
atom chem shift.val err: 0.0

1,51128,827
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 827
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 0.554
atom chem shift.val err: 0.0

1,51128,828
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 828
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 0.554
atom chem shift.val err: 0.0

1,51128,829
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 53.711
atom chem shift.val err: 0.0

1,51128,830
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
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atom chem shift.val: 43.731
atom chem shift.val err: 0.0

1,51128,831
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 106
atom chem shift.val: 27.408
atom chem shift.val err: 0.0

1,51128,832
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 832
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 106
atom chem shift.val: 24.832
atom chem shift.val err: 0.0

1,51128,833
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 833
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 22.315
atom chem shift.val err: 0.0

1,51128,834
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 834
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 106
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 106
atom chem shift.val: 123.44
atom chem shift.val err: 0.0

1,51128,835
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 835
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 107
atom chem shift.val: 9.241
atom chem shift.val err: 0.0

1,51128,836
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 5.408
atom chem shift.val err: 0.0

1,51128,837
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.561
atom chem shift.val err: 0.0

1,51128,838
type: atom chem shift
of datablock: info:bmrb/51128
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: 54.136
atom chem shift.val err: 0.0

1,51128,839
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 44.478
atom chem shift.val err: 0.0

1,51128,840
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 27.606
atom chem shift.val err: 0.0

1,51128,841
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 107
atom chem shift.entity assembly id: 1
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atom chem shift.val: 126.017
atom chem shift.val err: 0.0

1,51128,842
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.06
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1,51128,843
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.696
atom chem shift.val err: 0.0

1,51128,844
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,845
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,846
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 43.715
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1,51128,847
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.comp id: PHE
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atom chem shift.val: 120.976
atom chem shift.val err: 0.0

1,51128,848
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.311
atom chem shift.val err: 0.0

1,51128,849
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,850
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.857
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1,51128,851
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,852
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: SER
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1,51128,853
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: SER
atom chem shift.comp index id: 109
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atom chem shift.val: 125.831
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1,51128,854
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 110
atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.661
atom chem shift.val err: 0.0

1,51128,855
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.023
atom chem shift.val err: 0.0

1,51128,856
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,857
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,858
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,859
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,860
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,861
type: atom chem shift
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atom chem shift.val err: 0.0

1,51128,897
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 44.247
atom chem shift.val err: 0.0

1,51128,898
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 898
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 114
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 112.438
atom chem shift.val err: 0.0

1,51128,899
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: PRO
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 4.35
atom chem shift.val err: 0.0

1,51128,900
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PRO
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 2.099
atom chem shift.val err: 0.0

1,51128,901
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.955
atom chem shift.val err: 0.0

1,51128,902
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 116
atom chem shift.val: 8.399
atom chem shift.val err: 0.0

1,51128,903
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 45.288
atom chem shift.val err: 0.0

1,51128,904
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 116
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 116
atom chem shift.val: 109.889
atom chem shift.val err: 0.0

1,51128,905
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: PHE
atom chem shift.comp index id: 119
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 119
atom chem shift.val: 4.559
atom chem shift.val err: 0.0

1,51128,906
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PHE
atom chem shift.comp index id: 119
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 119
atom chem shift.val: 2.7
atom chem shift.val err: 0.0

1,51128,907
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: ARG
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atom chem shift.entity id: 1
atom chem shift.seq id: 120
atom chem shift.val: 8.166
atom chem shift.val err: 0.0

1,51128,908
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.751
atom chem shift.val err: 0.0

1,51128,909
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.568
atom chem shift.val err: 0.0

1,51128,910
type: atom chem shift
of datablock: info:bmrb/51128
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: 54.042
atom chem shift.val err: 0.0

1,51128,911
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 120
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 120
atom chem shift.val: 34.666
atom chem shift.val err: 0.0

1,51128,912
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
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atom chem shift.val: 1.0
atom chem shift.val err: 0.0

1,51128,913
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 120
atom chem shift.entity assembly id: 1
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atom chem shift.val: 125.586
atom chem shift.val err: 0.0

1,51128,914
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: MET
atom chem shift.comp index id: 121
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atom chem shift.val: 8.433
atom chem shift.val err: 0.0

1,51128,915
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.val: 5.167
atom chem shift.val err: 0.0

1,51128,916
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.875
atom chem shift.val err: 0.0

1,51128,917
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 54.808
atom chem shift.val err: 0.0

1,51128,918
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 38.489
atom chem shift.val err: 0.0

1,51128,919
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: MET
atom chem shift.comp index id: 121
atom chem shift.entity assembly id: 1
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atom chem shift.val: 122.028
atom chem shift.val err: 0.0

1,51128,920
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.val: 9.801
atom chem shift.val err: 0.0

1,51128,921
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.792
atom chem shift.val err: 0.0

1,51128,922
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.583
atom chem shift.val err: 0.0

1,51128,923
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,924
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,925
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 50.32
atom chem shift.val err: 0.0

1,51128,926
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 22.719
atom chem shift.val err: 0.0

1,51128,927
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: ALA
atom chem shift.comp index id: 122
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atom chem shift.val: 105.799
atom chem shift.val err: 0.0

1,51128,928
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.26
atom chem shift.val err: 0.0

1,51128,929
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,930
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,931
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 0.931
atom chem shift.val err: 0.0

1,51128,932
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.seq id: 123
atom chem shift.val: 1.053
atom chem shift.val err: 0.0

1,51128,933
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 123
atom chem shift.val: 1.053
atom chem shift.val err: 0.0

1,51128,934
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 934
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atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.053
atom chem shift.val err: 0.0

1,51128,935
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 935
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atom chem shift.comp id: THR
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 123
atom chem shift.val: 62.324
atom chem shift.val err: 0.0

1,51128,936
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 936
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atom chem shift.comp id: THR
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 123
atom chem shift.val: 71.316
atom chem shift.val err: 0.0

1,51128,937
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 937
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atom chem shift.comp id: THR
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 123
atom chem shift.val: 21.796
atom chem shift.val err: 0.0

1,51128,938
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 938
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atom chem shift.assembly atom id: 0
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atom chem shift.comp id: THR
atom chem shift.comp index id: 123
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 123
atom chem shift.val: 118.603
atom chem shift.val err: 0.0

1,51128,939
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 124
atom chem shift.val: 8.313
atom chem shift.val err: 0.0

1,51128,940
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 940
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 5.08
atom chem shift.val err: 0.0

1,51128,941
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 941
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 124
atom chem shift.val: 1.787
atom chem shift.val err: 0.0

1,51128,942
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
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atom chem shift.val: 52.695
atom chem shift.val err: 0.0

1,51128,943
type: atom chem shift
of datablock: info:bmrb/51128
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: 42.571
atom chem shift.val err: 0.0

1,51128,944
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 26.945
atom chem shift.val err: 0.0

1,51128,945
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 945
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atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
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atom chem shift.val: 25.444
atom chem shift.val err: 0.0

1,51128,946
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 23.88
atom chem shift.val err: 0.0

1,51128,947
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 124
atom chem shift.entity assembly id: 1
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atom chem shift.val: 128.297
atom chem shift.val err: 0.0

1,51128,948
type: atom chem shift
of datablock: info:bmrb/51128
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: 9.393
atom chem shift.val err: 0.0

1,51128,949
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.604
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1,51128,950
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.317
atom chem shift.val err: 0.0

1,51128,951
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.971
atom chem shift.val err: 0.0

1,51128,952
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 56.175
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1,51128,953
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 40.333
atom chem shift.val err: 0.0

1,51128,954
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: TYR
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
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atom chem shift.val: 128.866
atom chem shift.val err: 0.0

1,51128,955
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.805
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1,51128,956
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,957
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,958
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,959
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,960
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 66.044
atom chem shift.val err: 0.0

1,51128,961
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: SER
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 113.894
atom chem shift.val err: 0.0

1,51128,962
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,963
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,964
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,965
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,966
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,967
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.comp id: ARG
atom chem shift.comp index id: 127
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atom chem shift.val err: 0.0

1,51128,968
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 8.276
atom chem shift.val err: 0.0

1,51128,969
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 4.85
atom chem shift.val err: 0.0

1,51128,970
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 4.478
atom chem shift.val err: 0.0

1,51128,971
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.265
atom chem shift.val err: 0.0

1,51128,972
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,973
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,974
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,975
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,976
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 71.184
atom chem shift.val err: 0.0

1,51128,977
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,978
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,979
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,980
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,981
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,982
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,983
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of datablock: info:bmrb/51128
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1,51128,984
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of datablock: info:bmrb/51128
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1,51128,985
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of datablock: info:bmrb/51128
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1,51128,986
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1,51128,987
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of datablock: info:bmrb/51128
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1,51128,988
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of datablock: info:bmrb/51128
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1,51128,989
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1,51128,990
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1,51128,992
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1,51128,993
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atom chem shift.atom id: HD12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD12
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 155
atom chem shift.comp id: LEU
atom chem shift.comp index id: 131
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 131
atom chem shift.val: 0.838
atom chem shift.val err: 0.0

1,51128,1005
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1005
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD13
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 155
atom chem shift.comp id: LEU
atom chem shift.comp index id: 131
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 131
atom chem shift.val: 0.838
atom chem shift.val err: 0.0

1,51128,1006
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1006
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD21
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 155
atom chem shift.comp id: LEU
atom chem shift.comp index id: 131
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 131
atom chem shift.val: 0.791
atom chem shift.val err: 0.0

1,51128,1007
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1007
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD22
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 155
atom chem shift.comp id: LEU
atom chem shift.comp index id: 131
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 131
atom chem shift.val: 0.791
atom chem shift.val err: 0.0

1,51128,1008
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1008
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD23
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 155
atom chem shift.comp id: LEU
atom chem shift.comp index id: 131
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 131
atom chem shift.val: 0.791
atom chem shift.val err: 0.0

1,51128,1009
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1009
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 155
atom chem shift.comp id: LEU
atom chem shift.comp index id: 131
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 131
atom chem shift.val: 53.382
atom chem shift.val err: 0.0

1,51128,1010
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1010
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 155
atom chem shift.comp id: LEU
atom chem shift.comp index id: 131
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 131
atom chem shift.val: 44.748
atom chem shift.val err: 0.0

1,51128,1011
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1011
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 155
atom chem shift.comp id: LEU
atom chem shift.comp index id: 131
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 131
atom chem shift.val: 26.24
atom chem shift.val err: 0.0

1,51128,1012
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1012
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD1
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 155
atom chem shift.comp id: LEU
atom chem shift.comp index id: 131
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 131
atom chem shift.val: 24.872
atom chem shift.val err: 0.0

1,51128,1013
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1013
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 155
atom chem shift.comp id: LEU
atom chem shift.comp index id: 131
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 131
atom chem shift.val: 124.455
atom chem shift.val err: 0.0

1,51128,1014
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1014
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 156
atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 8.217
atom chem shift.val err: 0.0

1,51128,1015
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1015
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
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atom chem shift.atom type: H
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 156
atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 4.373
atom chem shift.val err: 0.0

1,51128,1016
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1016
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 156
atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 1.751
atom chem shift.val err: 0.0

1,51128,1017
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1017
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 2.099
atom chem shift.val err: 0.0

1,51128,1018
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1018
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
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atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 156
atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 1.594
atom chem shift.val err: 0.0

1,51128,1019
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1019
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: H
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 1.576
atom chem shift.val err: 0.0

1,51128,1020
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1020
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 156
atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 1.974
atom chem shift.val err: 0.0

1,51128,1021
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1021
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 3.007
atom chem shift.val err: 0.0

1,51128,1022
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1022
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 3.002
atom chem shift.val err: 0.0

1,51128,1023
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1023
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 56.061
atom chem shift.val err: 0.0

1,51128,1024
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1024
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 132
atom chem shift.val: 33.476
atom chem shift.val err: 0.0

1,51128,1025
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1025
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 25.427
atom chem shift.val err: 0.0

1,51128,1026
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1026
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 156
atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 29.341
atom chem shift.val err: 0.0

1,51128,1027
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1027
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: CE
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 41.859
atom chem shift.val err: 0.0

1,51128,1028
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1028
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 156
atom chem shift.comp id: LYS
atom chem shift.comp index id: 132
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 132
atom chem shift.val: 124.087
atom chem shift.val err: 0.0

1,51128,1029
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1029
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 157
atom chem shift.comp id: ASP
atom chem shift.comp index id: 133
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 133
atom chem shift.val: 8.958
atom chem shift.val err: 0.0

1,51128,1030
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1030
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 133
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 133
atom chem shift.val: 4.129
atom chem shift.val err: 0.0

1,51128,1031
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1031
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: ASP
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 133
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 133
atom chem shift.val: 2.642
atom chem shift.val err: 0.0

1,51128,1032
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1032
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 157
atom chem shift.comp id: ASP
atom chem shift.comp index id: 133
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 133
atom chem shift.val: 58.326
atom chem shift.val err: 0.0

1,51128,1033
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1033
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 157
atom chem shift.comp id: ASP
atom chem shift.comp index id: 133
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 133
atom chem shift.val: 40.145
atom chem shift.val err: 0.0

1,51128,1034
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1034
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 157
atom chem shift.comp id: ASP
atom chem shift.comp index id: 133
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 133
atom chem shift.val: 124.567
atom chem shift.val err: 0.0

1,51128,1035
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1035
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: H
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 158
atom chem shift.comp id: GLU
atom chem shift.comp index id: 134
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 134
atom chem shift.val: 9.565
atom chem shift.val err: 0.0

1,51128,1036
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1036
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 158
atom chem shift.comp id: GLU
atom chem shift.comp index id: 134
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 134
atom chem shift.val: 4.138
atom chem shift.val err: 0.0

1,51128,1037
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1037
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 158
atom chem shift.comp id: GLU
atom chem shift.comp index id: 134
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 134
atom chem shift.val: 1.991
atom chem shift.val err: 0.0

1,51128,1038
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1038
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: GLU
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 134
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 134
atom chem shift.val: 2.606
atom chem shift.val err: 0.0

1,51128,1039
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1039
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 158
atom chem shift.comp id: GLU
atom chem shift.comp index id: 134
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 134
atom chem shift.val: 2.292
atom chem shift.val err: 0.0

1,51128,1040
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 134
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 134
atom chem shift.val: 59.613
atom chem shift.val err: 0.0

1,51128,1041
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1041
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 134
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 134
atom chem shift.val: 29.187
atom chem shift.val err: 0.0

1,51128,1042
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1042
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 134
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 134
atom chem shift.val: 36.23
atom chem shift.val err: 0.0

1,51128,1043
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1043
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atom chem shift.atom id: N
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 134
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 118.352
atom chem shift.val err: 0.0

1,51128,1044
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.288
atom chem shift.val err: 0.0

1,51128,1045
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.106
atom chem shift.val err: 0.0

1,51128,1046
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 135
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.477
atom chem shift.val err: 0.0

1,51128,1047
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.796
atom chem shift.val err: 0.0

1,51128,1048
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 135
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 1.508
atom chem shift.val err: 0.0

1,51128,1049
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.774
atom chem shift.val err: 0.0

1,51128,1050
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1050
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.774
atom chem shift.val err: 0.0

1,51128,1051
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.774
atom chem shift.val err: 0.0

1,51128,1052
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.539
atom chem shift.val err: 0.0

1,51128,1053
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.539
atom chem shift.val err: 0.0

1,51128,1054
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.539
atom chem shift.val err: 0.0

1,51128,1055
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 56.516
atom chem shift.val err: 0.0

1,51128,1056
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 41.767
atom chem shift.val err: 0.0

1,51128,1057
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 27.436
atom chem shift.val err: 0.0

1,51128,1058
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.val: 24.526
atom chem shift.val err: 0.0

1,51128,1059
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 22.291
atom chem shift.val err: 0.0

1,51128,1060
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1060
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 135
atom chem shift.entity assembly id: 1
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atom chem shift.val: 119.637
atom chem shift.val err: 0.0

1,51128,1061
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.429
atom chem shift.val err: 0.0

1,51128,1062
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.984
atom chem shift.val err: 0.0

1,51128,1063
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.555
atom chem shift.val err: 0.0

1,51128,1064
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.836
atom chem shift.val err: 0.0

1,51128,1065
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,1066
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 25.924
atom chem shift.val err: 0.0

1,51128,1067
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
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atom chem shift.val: 29.087
atom chem shift.val err: 0.0

1,51128,1068
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 41.528
atom chem shift.val err: 0.0

1,51128,1069
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.comp id: LYS
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1,51128,1070
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1071
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1072
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1073
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1074
type: atom chem shift
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1,51128,1075
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 2.292
atom chem shift.val err: 0.0

1,51128,1076
type: atom chem shift
of datablock: info:bmrb/51128
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: 137
atom chem shift.val: 59.38
atom chem shift.val err: 0.0

1,51128,1077
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 1077
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 137
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 137
atom chem shift.val: 30.372
atom chem shift.val err: 0.0

1,51128,1078
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1078
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 137
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 137
atom chem shift.val: 36.23
atom chem shift.val err: 0.0

1,51128,1079
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1079
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 137
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 137
atom chem shift.val: 119.806
atom chem shift.val err: 0.0

1,51128,1080
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 138
atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.839
atom chem shift.val err: 0.0

1,51128,1081
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 138
atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.074
atom chem shift.val err: 0.0

1,51128,1082
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 138
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atom chem shift.val: 1.784
atom chem shift.val err: 0.0

1,51128,1083
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.031
atom chem shift.val err: 0.0

1,51128,1084
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.222
atom chem shift.val err: 0.0

1,51128,1085
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 138
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.29
atom chem shift.val err: 0.0

1,51128,1086
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.599
atom chem shift.val err: 0.0

1,51128,1087
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 138
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.681
atom chem shift.val err: 0.0

1,51128,1088
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.782
atom chem shift.val err: 0.0

1,51128,1089
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.882
atom chem shift.val err: 0.0

1,51128,1090
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 59.51
atom chem shift.val err: 0.0

1,51128,1091
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 32.123
atom chem shift.val err: 0.0

1,51128,1092
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 23.872
atom chem shift.val err: 0.0

1,51128,1093
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 28.794
atom chem shift.val err: 0.0

1,51128,1094
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 40.412
atom chem shift.val err: 0.0

1,51128,1095
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 120.46
atom chem shift.val err: 0.0

1,51128,1096
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1097
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1098
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1099
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1100
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1101
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1102
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1103
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1104
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1105
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1106
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1107
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1108
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of datablock: info:bmrb/51128
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1,51128,1109
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1,51128,1110
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1,51128,1111
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atom chem shift.comp index id: 141
atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.618
atom chem shift.val err: 0.0

1,51128,1112
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 141
atom chem shift.entity assembly id: 1
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atom chem shift.val: 3.735
atom chem shift.val err: 0.0

1,51128,1113
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1113
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atom chem shift.comp index id: 141
atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.25
atom chem shift.val err: 0.0

1,51128,1114
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 1114
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atom chem shift.comp index id: 141
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.251
atom chem shift.val err: 0.0

1,51128,1115
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.val: 1.251
atom chem shift.val err: 0.0

1,51128,1116
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,1117
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 66.891
atom chem shift.val err: 0.0

1,51128,1118
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 68.532
atom chem shift.val err: 0.0

1,51128,1119
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 21.801
atom chem shift.val err: 0.0

1,51128,1120
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 141
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 141
atom chem shift.val: 118.732
atom chem shift.val err: 0.0

1,51128,1121
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.339
atom chem shift.val err: 0.0

1,51128,1122
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.197
atom chem shift.val err: 0.0

1,51128,1123
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.893
atom chem shift.val err: 0.0

1,51128,1124
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.3
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1,51128,1125
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 61.156
atom chem shift.val err: 0.0

1,51128,1126
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 39.866
atom chem shift.val err: 0.0

1,51128,1127
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: PHE
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atom chem shift.val: 122.788
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1,51128,1128
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.108
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1,51128,1129
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.285
atom chem shift.val err: 0.0

1,51128,1130
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,1131
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1132
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1133
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1134
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,1135
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1136
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1137
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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1,51128,1138
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,1139
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1140
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,1141
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1142
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1143
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.comp id: LYS
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atom chem shift.val err: 0.0

1,51128,1144
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1145
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1146
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1147
type: atom chem shift
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atom chem shift.val: 1.337
atom chem shift.val err: 0.0

1,51128,1148
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 1.337
atom chem shift.val err: 0.0

1,51128,1149
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 54.257
atom chem shift.val err: 0.0

1,51128,1150
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1151
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1152
type: atom chem shift
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1,51128,1153
type: atom chem shift
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1,51128,1154
type: atom chem shift
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atom chem shift.val err: 0.0

1,51128,1155
type: atom chem shift
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atom chem shift.val err: 0.0

1,51128,1156
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1157
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1158
type: atom chem shift
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1,51128,1159
type: atom chem shift
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1,51128,1160
type: atom chem shift
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1,51128,1161
type: atom chem shift
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1,51128,1162
type: atom chem shift
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1,51128,1163
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1,51128,1164
type: atom chem shift
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1,51128,1165
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1,51128,1166
type: atom chem shift
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1,51128,1167
type: atom chem shift
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1,51128,1168
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1,51128,1169
type: atom chem shift
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1,51128,1170
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1,51128,1171
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1,51128,1172
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1,51128,1173
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1,51128,1174
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1,51128,1175
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1,51128,1176
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1,51128,1178
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1,51128,1179
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1,51128,1180
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1,51128,1181
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1,51128,1182
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atom chem shift.val: 121.061
atom chem shift.val err: 0.0

1,51128,1183
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1183
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atom chem shift.auth seq id: 173
atom chem shift.comp id: THR
atom chem shift.comp index id: 149
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 149
atom chem shift.val: 9.014
atom chem shift.val err: 0.0

1,51128,1184
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1184
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atom chem shift.auth seq id: 173
atom chem shift.comp id: THR
atom chem shift.comp index id: 149
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 149
atom chem shift.val: 4.533
atom chem shift.val err: 0.0

1,51128,1185
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1185
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 173
atom chem shift.comp id: THR
atom chem shift.comp index id: 149
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 149
atom chem shift.val: 1.197
atom chem shift.val err: 0.0

1,51128,1186
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1186
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atom chem shift.comp id: THR
atom chem shift.comp index id: 149
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 149
atom chem shift.val: 1.197
atom chem shift.val err: 0.0

1,51128,1187
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1187
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atom chem shift.comp id: THR
atom chem shift.comp index id: 149
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 149
atom chem shift.val: 1.197
atom chem shift.val err: 0.0

1,51128,1188
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: THR
atom chem shift.comp index id: 149
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 149
atom chem shift.val: 60.259
atom chem shift.val err: 0.0

1,51128,1189
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: THR
atom chem shift.comp index id: 149
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 149
atom chem shift.val: 71.602
atom chem shift.val err: 0.0

1,51128,1190
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1190
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: THR
atom chem shift.comp index id: 149
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 149
atom chem shift.val: 21.624
atom chem shift.val err: 0.0

1,51128,1191
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1191
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.auth atom id: N
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 173
atom chem shift.comp id: THR
atom chem shift.comp index id: 149
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 149
atom chem shift.val: 111.794
atom chem shift.val err: 0.0

1,51128,1192
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1192
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: GLU
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 150
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 150
atom chem shift.val: 9.119
atom chem shift.val err: 0.0

1,51128,1193
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1193
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 174
atom chem shift.comp id: GLU
atom chem shift.comp index id: 150
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 150
atom chem shift.val: 3.867
atom chem shift.val err: 0.0

1,51128,1194
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1194
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atom chem shift.auth comp id: GLU
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 150
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 150
atom chem shift.val: 1.715
atom chem shift.val err: 0.0

1,51128,1195
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1195
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 150
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 150
atom chem shift.val: 2.059
atom chem shift.val err: 0.0

1,51128,1196
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 150
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 150
atom chem shift.val: 2.301
atom chem shift.val err: 0.0

1,51128,1197
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1197
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 150
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 150
atom chem shift.val: 2.395
atom chem shift.val err: 0.0

1,51128,1198
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 150
atom chem shift.val: 60.449
atom chem shift.val err: 0.0

1,51128,1199
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 150
atom chem shift.val: 29.395
atom chem shift.val err: 0.0

1,51128,1200
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 150
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 150
atom chem shift.val: 37.338
atom chem shift.val err: 0.0

1,51128,1201
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1201
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 174
atom chem shift.comp id: GLU
atom chem shift.comp index id: 150
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 150
atom chem shift.val: 118.642
atom chem shift.val err: 0.0

1,51128,1202
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 151
atom chem shift.entity assembly id: 1
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atom chem shift.val: 8.156
atom chem shift.val err: 0.0

1,51128,1203
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: GLU
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atom chem shift.val: 4.17
atom chem shift.val err: 0.0

1,51128,1204
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
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atom chem shift.val: 1.974
atom chem shift.val err: 0.0

1,51128,1205
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: GLU
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atom chem shift.val: 2.58
atom chem shift.val err: 0.0

1,51128,1206
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.675
atom chem shift.val err: 0.0

1,51128,1207
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 151
atom chem shift.entity assembly id: 1
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atom chem shift.val: 58.271
atom chem shift.val err: 0.0

1,51128,1208
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 151
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 151
atom chem shift.val: 29.473
atom chem shift.val err: 0.0

1,51128,1209
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: GLU
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atom chem shift.val: 36.733
atom chem shift.val err: 0.0

1,51128,1210
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.auth comp id: GLU
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 151
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atom chem shift.val: 116.241
atom chem shift.val err: 0.0

1,51128,1211
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: ASP
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 152
atom chem shift.val: 7.834
atom chem shift.val err: 0.0

1,51128,1212
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: ASP
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atom chem shift.val: 4.882
atom chem shift.val err: 0.0

1,51128,1213
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: ASP
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atom chem shift.val: 2.687
atom chem shift.val err: 0.0

1,51128,1214
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 152
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atom chem shift.val: 3.175
atom chem shift.val err: 0.0

1,51128,1215
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.comp id: ASP
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atom chem shift.val: 54.491
atom chem shift.val err: 0.0

1,51128,1216
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ASP
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atom chem shift.val: 42.689
atom chem shift.val err: 0.0

1,51128,1217
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1217
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 152
atom chem shift.entity assembly id: 1
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atom chem shift.val: 118.738
atom chem shift.val err: 0.0

1,51128,1218
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 6.952
atom chem shift.val err: 0.0

1,51128,1219
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1219
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 4.281
atom chem shift.val err: 0.0

1,51128,1220
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1220
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 1.713
atom chem shift.val err: 0.0

1,51128,1221
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1221
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG12
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 0.693
atom chem shift.val err: 0.0

1,51128,1222
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1222
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 1.212
atom chem shift.val err: 0.0

1,51128,1223
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1223
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 0.518
atom chem shift.val err: 0.0

1,51128,1224
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1224
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 0.518
atom chem shift.val err: 0.0

1,51128,1225
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1225
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 0.518
atom chem shift.val err: 0.0

1,51128,1226
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1226
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD11
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 0.515
atom chem shift.val err: 0.0

1,51128,1227
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1227
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD12
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 0.515
atom chem shift.val err: 0.0

1,51128,1228
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1228
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD13
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 0.515
atom chem shift.val err: 0.0

1,51128,1229
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1229
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 61.396
atom chem shift.val err: 0.0

1,51128,1230
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1230
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 40.311
atom chem shift.val err: 0.0

1,51128,1231
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1231
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 21.802
atom chem shift.val err: 0.0

1,51128,1232
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1232
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 17.629
atom chem shift.val err: 0.0

1,51128,1233
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1233
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 16.123
atom chem shift.val err: 0.0

1,51128,1234
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1234
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 177
atom chem shift.comp id: ILE
atom chem shift.comp index id: 153
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 153
atom chem shift.val: 117.389
atom chem shift.val err: 0.0

1,51128,1235
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1235
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 9.188
atom chem shift.val err: 0.0

1,51128,1236
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1236
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 4.534
atom chem shift.val err: 0.0

1,51128,1237
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1237
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 2.052
atom chem shift.val err: 0.0

1,51128,1238
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1238
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG11
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 0.894
atom chem shift.val err: 0.0

1,51128,1239
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1239
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG12
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 0.894
atom chem shift.val err: 0.0

1,51128,1240
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1240
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 0.894
atom chem shift.val err: 0.0

1,51128,1241
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1241
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 0.959
atom chem shift.val err: 0.0

1,51128,1242
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1242
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 0.959
atom chem shift.val err: 0.0

1,51128,1243
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1243
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 0.959
atom chem shift.val err: 0.0

1,51128,1244
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1244
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 60.408
atom chem shift.val err: 0.0

1,51128,1245
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1245
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 36.252
atom chem shift.val err: 0.0

1,51128,1246
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1246
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 21.624
atom chem shift.val err: 0.0

1,51128,1247
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1247
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 21.651
atom chem shift.val err: 0.0

1,51128,1248
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1248
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 178
atom chem shift.comp id: VAL
atom chem shift.comp index id: 154
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 154
atom chem shift.val: 125.946
atom chem shift.val err: 0.0

1,51128,1249
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1249
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 179
atom chem shift.comp id: PHE
atom chem shift.comp index id: 155
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 155
atom chem shift.val: 8.75
atom chem shift.val err: 0.0

1,51128,1250
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1250
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 179
atom chem shift.comp id: PHE
atom chem shift.comp index id: 155
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 155
atom chem shift.val: 5.022
atom chem shift.val err: 0.0

1,51128,1251
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1251
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 179
atom chem shift.comp id: PHE
atom chem shift.comp index id: 155
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 155
atom chem shift.val: 2.206
atom chem shift.val err: 0.0

1,51128,1252
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1252
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 179
atom chem shift.comp id: PHE
atom chem shift.comp index id: 155
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 155
atom chem shift.val: 58.176
atom chem shift.val err: 0.0

1,51128,1253
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1253
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 179
atom chem shift.comp id: PHE
atom chem shift.comp index id: 155
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 155
atom chem shift.val: 38.021
atom chem shift.val err: 0.0

1,51128,1254
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1254
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 179
atom chem shift.comp id: PHE
atom chem shift.comp index id: 155
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 155
atom chem shift.val: 125.398
atom chem shift.val err: 0.0

1,51128,1255
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1255
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 180
atom chem shift.comp id: LEU
atom chem shift.comp index id: 156
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 156
atom chem shift.val: 7.223
atom chem shift.val err: 0.0

1,51128,1256
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1256
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 180
atom chem shift.comp id: LEU
atom chem shift.comp index id: 156
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 156
atom chem shift.val: 4.116
atom chem shift.val err: 0.0

1,51128,1257
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1257
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 156
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 156
atom chem shift.val: 1.474
atom chem shift.val err: 0.0

1,51128,1258
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1258
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 156
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 156
atom chem shift.val: 1.79
atom chem shift.val err: 0.0

1,51128,1259
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1259
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 156
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 156
atom chem shift.val: 1.499
atom chem shift.val err: 0.0

1,51128,1260
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.772
atom chem shift.val err: 0.0

1,51128,1261
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 156
atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.772
atom chem shift.val err: 0.0

1,51128,1262
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 156
atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.772
atom chem shift.val err: 0.0

1,51128,1263
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 156
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 156
atom chem shift.val: 0.549
atom chem shift.val err: 0.0

1,51128,1264
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1264
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 156
atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.549
atom chem shift.val err: 0.0

1,51128,1265
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.549
atom chem shift.val err: 0.0

1,51128,1266
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 53.182
atom chem shift.val err: 0.0

1,51128,1267
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 41.343
atom chem shift.val err: 0.0

1,51128,1268
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 33.098
atom chem shift.val err: 0.0

1,51128,1269
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 29.968
atom chem shift.val err: 0.0

1,51128,1270
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 25.3
atom chem shift.val err: 0.0

1,51128,1271
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1271
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 156
atom chem shift.entity assembly id: 1
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atom chem shift.val: 125.618
atom chem shift.val err: 0.0

1,51128,1272
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.728
atom chem shift.val err: 0.0

1,51128,1273
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.054
atom chem shift.val err: 0.0

1,51128,1274
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.366
atom chem shift.val err: 0.0

1,51128,1275
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.202
atom chem shift.val err: 0.0

1,51128,1276
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.117
atom chem shift.val err: 0.0

1,51128,1277
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.643
atom chem shift.val err: 0.0

1,51128,1278
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.726
atom chem shift.val err: 0.0

1,51128,1279
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 61.892
atom chem shift.val err: 0.0

1,51128,1280
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,1281
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 27.506
atom chem shift.val err: 0.0

1,51128,1282
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.0

1,51128,1283
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1284
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1285
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1286
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1287
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.comp id: GLN
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atom chem shift.val err: 0.0

1,51128,1288
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1289
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val err: 0.0

1,51128,1290
type: atom chem shift
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atom chem shift.val: 2.156
atom chem shift.val err: 0.0

1,51128,1291
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 62.148
atom chem shift.val err: 0.0

1,51128,1292
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 33.199
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1,51128,1293
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1294
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1295
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1296
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1297
type: atom chem shift
of datablock: info:bmrb/51128
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atom chem shift.val: 40.677
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1,51128,1298
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1299
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1300
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1301
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1302
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1303
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1304
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1305
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1306
type: atom chem shift
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1,51128,1307
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1308
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1309
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1310
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1,51128,1311
type: atom chem shift
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1,51128,1312
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1313
type: atom chem shift
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1,51128,1314
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1315
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1316
type: atom chem shift
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1,51128,1317
type: atom chem shift
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1,51128,1318
type: atom chem shift
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1,51128,1319
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1320
type: atom chem shift
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1,51128,1321
type: atom chem shift
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1,51128,1322
type: atom chem shift
of datablock: info:bmrb/51128
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1,51128,1323
type: atom chem shift
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1,51128,1324
type: atom chem shift
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1,51128,1325
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atom chem shift.val: 1.371
atom chem shift.val err: 0.0

1,51128,1326
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1326
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG13
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 1.01
atom chem shift.val err: 0.0

1,51128,1327
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1327
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG21
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 1.011
atom chem shift.val err: 0.0

1,51128,1328
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1328
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG22
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 1.011
atom chem shift.val err: 0.0

1,51128,1329
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1329
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG23
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 1.011
atom chem shift.val err: 0.0

1,51128,1330
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1330
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD11
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 0.867
atom chem shift.val err: 0.0

1,51128,1331
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1331
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD12
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 0.867
atom chem shift.val err: 0.0

1,51128,1332
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1332
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD13
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 0.867
atom chem shift.val err: 0.0

1,51128,1333
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1333
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 61.2
atom chem shift.val err: 0.0

1,51128,1334
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1334
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 39.76
atom chem shift.val err: 0.0

1,51128,1335
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1335
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 26.931
atom chem shift.val err: 0.0

1,51128,1336
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1336
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 18.114
atom chem shift.val err: 0.0

1,51128,1337
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1337
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD1
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 15.225
atom chem shift.val err: 0.0

1,51128,1338
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1338
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 187
atom chem shift.comp id: ILE
atom chem shift.comp index id: 163
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 163
atom chem shift.val: 113.432
atom chem shift.val err: 0.0

1,51128,1339
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1339
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 188
atom chem shift.comp id: GLN
atom chem shift.comp index id: 164
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 164
atom chem shift.val: 8.328
atom chem shift.val err: 0.0

1,51128,1340
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1340
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 188
atom chem shift.comp id: GLN
atom chem shift.comp index id: 164
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 164
atom chem shift.val: 4.289
atom chem shift.val err: 0.0

1,51128,1341
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1341
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 188
atom chem shift.comp id: GLN
atom chem shift.comp index id: 164
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 164
atom chem shift.val: 2.412
atom chem shift.val err: 0.0

1,51128,1342
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1342
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 188
atom chem shift.comp id: GLN
atom chem shift.comp index id: 164
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 164
atom chem shift.val: 2.08
atom chem shift.val err: 0.0

1,51128,1343
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1343
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 188
atom chem shift.comp id: GLN
atom chem shift.comp index id: 164
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 164
atom chem shift.val: 2.47
atom chem shift.val err: 0.0

1,51128,1344
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1344
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 188
atom chem shift.comp id: GLN
atom chem shift.comp index id: 164
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 164
atom chem shift.val: 56.9
atom chem shift.val err: 0.0

1,51128,1345
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1345
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 188
atom chem shift.comp id: GLN
atom chem shift.comp index id: 164
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 164
atom chem shift.val: 28.789
atom chem shift.val err: 0.0

1,51128,1346
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1346
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 188
atom chem shift.comp id: GLN
atom chem shift.comp index id: 164
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 164
atom chem shift.val: 33.978
atom chem shift.val err: 0.0

1,51128,1347
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1347
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLN
atom chem shift.auth seq id: 188
atom chem shift.comp id: GLN
atom chem shift.comp index id: 164
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 164
atom chem shift.val: 123.331
atom chem shift.val err: 0.0

1,51128,1348
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1348
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 189
atom chem shift.comp id: GLU
atom chem shift.comp index id: 165
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 165
atom chem shift.val: 8.124
atom chem shift.val err: 0.0

1,51128,1349
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1349
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 189
atom chem shift.comp id: GLU
atom chem shift.comp index id: 165
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 165
atom chem shift.val: 4.035
atom chem shift.val err: 0.0

1,51128,1350
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1350
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 189
atom chem shift.comp id: GLU
atom chem shift.comp index id: 165
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 165
atom chem shift.val: 1.834
atom chem shift.val err: 0.0

1,51128,1351
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1351
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 189
atom chem shift.comp id: GLU
atom chem shift.comp index id: 165
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 165
atom chem shift.val: 58.161
atom chem shift.val err: 0.0

1,51128,1352
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1352
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 189
atom chem shift.comp id: GLU
atom chem shift.comp index id: 165
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 165
atom chem shift.val: 30.94
atom chem shift.val err: 0.0

1,51128,1353
type: atom chem shift
of datablock: info:bmrb/51128
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 51128
atom chem shift.id: 1353
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 189
atom chem shift.comp id: GLU
atom chem shift.comp index id: 165
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 165
atom chem shift.val: 126.803
atom chem shift.val err: 0.0

1,51128,1
type: bond
of datablock: info:bmrb/51128
bond.assembly id: 1
bond.entry id: 51128
bond.id: 1
bond.atom id 1: SG
bond.atom id 2: SG
bond.auth atom id 1: SG
bond.auth atom id 2: SG
bond.auth comp id 1: CYS
bond.auth comp id 2: CYS
bond.auth seq id 1: 89
bond.auth seq id 2: 186
bond.comp id 1: CYS
bond.comp id 2: CYS
bond.comp index id 1: 65
bond.comp index id 2: 162
bond.entity assembly id 1: 1
bond.entity assembly id 2: 1
bond.entity id 1: 1
bond.entity id 2: 1
bond.seq id 1: 65
bond.seq id 2: 162
bond.type: disulfide
bond.value order: sing

51128,PGJ
type: chem comp
of datablock: info:bmrb/51128
reference to entry: entry
chem comp.entry id: 51128
chem comp.id: PGJ
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.bmrb code: PGJ
chem comp.formal charge: 0
chem comp.formula: C22 H18 F N3 O5
chem comp.formula weight: 423.394
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/C22H18FN3O5/c1-2-29-13-26-20(19(21(28)31-26)14-7-9-15(23)10-8-14)16-11-12-24-22(25-16)30-18-6-4-3-5-17(18)27/h3-12,27H,2,13H2,1H3
chem comp.initial date: 2020-07-09Z
chem comp.model coordinates db code: 1YW2
chem comp.model coordinates missing flag: no
chem comp.modified date: 2020-07-09Z
chem comp.mon nstd flag: no
chem comp.name: 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE
chem comp.number atoms all: 49
chem comp.number atoms nh: 31
chem comp.pdb code: PGJ
chem comp.processing site: RCSB
chem comp.provenance: PDB
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_PGJ
chem comp.three letter code: PGJ
chem comp.type: NON-POLYMER

info:pdb-ccd/PGJ

pdb-ccd:PGJ

info:pdb.ligand/PGJ

pdb.ligand:PGJ

C1,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C1
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C1
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.928
chem comp atom.model cartn x ideal: -0.954
chem comp atom.model cartn y: 39.525
chem comp atom.model cartn y ideal: 0.484
chem comp atom.model cartn z: 18.027
chem comp atom.model cartn z ideal: -1.902
chem comp atom.pdb atom id: C1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: C

N2,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: N2
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: N2
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: N2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.978
chem comp atom.model cartn x ideal: -2.089
chem comp atom.model cartn y: 40.250
chem comp atom.model cartn y ideal: 0.552
chem comp atom.model cartn z: 18.918
chem comp atom.model cartn z ideal: -2.644
chem comp atom.pdb atom id: N2
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: N

O3,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: O3
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: O3
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: O3
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.989
chem comp atom.model cartn x ideal: -1.876
chem comp atom.model cartn y: 39.398
chem comp atom.model cartn y ideal: 0.342
chem comp atom.model cartn z: 20.164
chem comp atom.model cartn z ideal: -3.815
chem comp atom.pdb atom id: O3
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C4,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C4
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C4
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C4
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.845
chem comp atom.model cartn x ideal: -0.579
chem comp atom.model cartn y: 38.368
chem comp atom.model cartn y ideal: 0.094
chem comp atom.model cartn z: 20.014
chem comp atom.model cartn z ideal: -4.049
chem comp atom.pdb atom id: C4
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C5,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C5
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C5
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C5
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.455
chem comp atom.model cartn x ideal: 0.075
chem comp atom.model cartn y: 38.477
chem comp atom.model cartn y ideal: 0.177
chem comp atom.model cartn z: 18.675
chem comp atom.model cartn z ideal: -2.789
chem comp atom.pdb atom id: C5
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C6,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C6
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C6
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.399
chem comp atom.model cartn x ideal: -3.413
chem comp atom.model cartn y: 41.621
chem comp atom.model cartn y ideal: 0.852
chem comp atom.model cartn z: 19.222
chem comp atom.model cartn z ideal: -2.093
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

O7,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: O7
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: O7
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O7
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.253
chem comp atom.model cartn x ideal: -4.133
chem comp atom.model cartn y: 42.445
chem comp atom.model cartn y ideal: -0.365
chem comp atom.model cartn z: 19.339
chem comp atom.model cartn z ideal: -1.894
chem comp atom.pdb atom id: O7
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C10,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C10
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C10
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C10
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.470
chem comp atom.model cartn x ideal: -3.835
chem comp atom.model cartn y: 43.791
chem comp atom.model cartn y ideal: -0.809
chem comp atom.model cartn z: 19.696
chem comp atom.model cartn z ideal: -0.569
chem comp atom.pdb atom id: C10
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C11,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C11
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: C11
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.958
chem comp atom.model cartn x ideal: -4.579
chem comp atom.model cartn y: 43.999
chem comp atom.model cartn y ideal: -2.116
chem comp atom.model cartn z: 19.931
chem comp atom.model cartn z ideal: -0.289
chem comp atom.pdb atom id: C11
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C17,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C17
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C17
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C17
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.947
chem comp atom.model cartn x ideal: -0.835
chem comp atom.model cartn y: 39.822
chem comp atom.model cartn y ideal: 0.687
chem comp atom.model cartn z: 16.601
chem comp atom.model cartn z ideal: -0.441
chem comp atom.pdb atom id: C17
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C18,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C18
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C18
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C18
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.953
chem comp atom.model cartn x ideal: -1.275
chem comp atom.model cartn y: 38.814
chem comp atom.model cartn y ideal: 1.876
chem comp atom.model cartn z: 15.649
chem comp atom.model cartn z ideal: 0.148
chem comp atom.pdb atom id: C18
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C19,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C19
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C19
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C19
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.987
chem comp atom.model cartn x ideal: -1.144
chem comp atom.model cartn y: 39.184
chem comp atom.model cartn y ideal: 2.018
chem comp atom.model cartn z: 14.312
chem comp atom.model cartn z ideal: 1.519
chem comp atom.pdb atom id: C19
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: C

N20,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: N20
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: N20
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: N20
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.015
chem comp atom.model cartn x ideal: -0.610
chem comp atom.model cartn y: 40.463
chem comp atom.model cartn y ideal: 1.034
chem comp atom.model cartn z: 13.934
chem comp atom.model cartn z ideal: 2.224
chem comp atom.pdb atom id: N20
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: N

C21,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C21
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C21
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C21
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.989
chem comp atom.model cartn x ideal: -0.202
chem comp atom.model cartn y: 41.494
chem comp atom.model cartn y ideal: -0.080
chem comp atom.model cartn z: 14.853
chem comp atom.model cartn z ideal: 1.638
chem comp atom.pdb atom id: C21
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: C

N22,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: N22
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: N22
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: N22
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.945
chem comp atom.model cartn x ideal: -0.313
chem comp atom.model cartn y: 41.086
chem comp atom.model cartn y ideal: -0.262
chem comp atom.model cartn z: 16.178
chem comp atom.model cartn z ideal: 0.333
chem comp atom.pdb atom id: N22
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: N

O23,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: O23
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: O23
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O23
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.956
chem comp atom.model cartn x ideal: 0.337
chem comp atom.model cartn y: 42.783
chem comp atom.model cartn y ideal: -1.064
chem comp atom.model cartn z: 14.418
chem comp atom.model cartn z ideal: 2.396
chem comp atom.pdb atom id: O23
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C24,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C24
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C24
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C24
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.297
chem comp atom.model cartn x ideal: 0.217
chem comp atom.model cartn y: 43.736
chem comp atom.model cartn y ideal: -0.672
chem comp atom.model cartn z: 15.186
chem comp atom.model cartn z ideal: 3.693
chem comp atom.pdb atom id: C24
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C25,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C25
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C25
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C25
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.984
chem comp atom.model cartn x ideal: -0.875
chem comp atom.model cartn y: 44.882
chem comp atom.model cartn y ideal: -1.077
chem comp atom.model cartn z: 15.554
chem comp atom.model cartn z ideal: 4.443
chem comp atom.pdb atom id: C25
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C26,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C26
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C26
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C26
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.367
chem comp atom.model cartn x ideal: -0.995
chem comp atom.model cartn y: 45.861
chem comp atom.model cartn y ideal: -0.677
chem comp atom.model cartn z: 16.323
chem comp atom.model cartn z ideal: 5.760
chem comp atom.pdb atom id: C26
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C27,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C27
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C27
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C27
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.054
chem comp atom.model cartn x ideal: -0.028
chem comp atom.model cartn y: 45.691
chem comp atom.model cartn y ideal: 0.127
chem comp atom.model cartn z: 16.728
chem comp atom.model cartn z ideal: 6.333
chem comp atom.pdb atom id: C27
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C28,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C28
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C28
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C28
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.358
chem comp atom.model cartn x ideal: 1.064
chem comp atom.model cartn y: 44.539
chem comp atom.model cartn y ideal: 0.535
chem comp atom.model cartn z: 16.386
chem comp atom.model cartn z ideal: 5.591
chem comp atom.pdb atom id: C28
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C29,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C29
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C29
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C29
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.965
chem comp atom.model cartn x ideal: 1.194
chem comp atom.model cartn y: 43.579
chem comp atom.model cartn y ideal: 0.132
chem comp atom.model cartn z: 15.588
chem comp atom.model cartn z ideal: 4.271
chem comp atom.pdb atom id: C29
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O34,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: O34
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: O34
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O34
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.252
chem comp atom.model cartn x ideal: 2.268
chem comp atom.model cartn y: 42.451
chem comp atom.model cartn y ideal: 0.533
chem comp atom.model cartn z: 15.245
chem comp atom.model cartn z ideal: 3.539
chem comp atom.pdb atom id: O34
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C35,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C35
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C35
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C35
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.380
chem comp atom.model cartn x ideal: 1.514
chem comp atom.model cartn y: 37.422
chem comp atom.model cartn y ideal: -0.013
chem comp atom.model cartn z: 18.258
chem comp atom.model cartn z ideal: -2.491
chem comp atom.pdb atom id: C35
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C36,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C36
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C36
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C36
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.963
chem comp atom.model cartn x ideal: 2.134
chem comp atom.model cartn y: 36.101
chem comp atom.model cartn y ideal: -1.228
chem comp atom.model cartn z: 18.457
chem comp atom.model cartn z ideal: -2.781
chem comp atom.pdb atom id: C36
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C37,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C37
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C37
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C37
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.781
chem comp atom.model cartn x ideal: 3.474
chem comp atom.model cartn y: 35.053
chem comp atom.model cartn y ideal: -1.400
chem comp atom.model cartn z: 18.059
chem comp atom.model cartn z ideal: -2.502
chem comp atom.pdb atom id: C37
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C38,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C38
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C38
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C38
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 22.019
chem comp atom.model cartn x ideal: 4.203
chem comp atom.model cartn y: 35.351
chem comp atom.model cartn y ideal: -0.368
chem comp atom.model cartn z: 17.505
chem comp atom.model cartn z ideal: -1.934
chem comp atom.pdb atom id: C38
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C39,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C39
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C39
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C39
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 22.468
chem comp atom.model cartn x ideal: 3.592
chem comp atom.model cartn y: 36.648
chem comp atom.model cartn y ideal: 0.840
chem comp atom.model cartn z: 17.344
chem comp atom.model cartn z ideal: -1.643
chem comp atom.pdb atom id: C39
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C40,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: C40
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: C40
chem comp atom.aromatic flag: yes
chem comp atom.bmrb code: C40
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 21.592
chem comp atom.model cartn x ideal: 2.254
chem comp atom.model cartn y: 37.696
chem comp atom.model cartn y ideal: 1.024
chem comp atom.model cartn z: 17.638
chem comp atom.model cartn z ideal: -1.924
chem comp atom.pdb atom id: C40
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: C

F45,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: F45
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: F45
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: F45
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 22.803
chem comp atom.model cartn x ideal: 5.515
chem comp atom.model cartn y: 34.315
chem comp atom.model cartn y ideal: -0.542
chem comp atom.model cartn z: 17.190
chem comp atom.model cartn z ideal: -1.663
chem comp atom.pdb atom id: F45
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: F

O47,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: O47
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: O47
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: O47
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.142
chem comp atom.model cartn x ideal: -0.064
chem comp atom.model cartn y: 37.541
chem comp atom.model cartn y ideal: -0.150
chem comp atom.model cartn z: 20.823
chem comp atom.model cartn z ideal: -5.126
chem comp atom.pdb atom id: O47
chem comp atom.pdbx ordinal: 31
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H61,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H61
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: 1H6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H61
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.129
chem comp atom.model cartn x ideal: -3.961
chem comp atom.model cartn y: 42.015
chem comp atom.model cartn y ideal: 1.489
chem comp atom.model cartn z: 18.477
chem comp atom.model cartn z ideal: -2.789
chem comp atom.pdb atom id: H61
chem comp atom.pdbx ordinal: 32
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H62,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H62
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: 2H6
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H62
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.052
chem comp atom.model cartn x ideal: -3.301
chem comp atom.model cartn y: 41.673
chem comp atom.model cartn y ideal: 1.369
chem comp atom.model cartn z: 20.125
chem comp atom.model cartn z ideal: -1.140
chem comp atom.pdb atom id: H62
chem comp atom.pdbx ordinal: 33
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H101,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H101
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 0
chem comp atom.alt atom id: 1H10
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H101
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.852
chem comp atom.model cartn x ideal: -4.150
chem comp atom.model cartn y: 44.106
chem comp atom.model cartn y ideal: -0.051
chem comp atom.model cartn z: 20.569
chem comp atom.model cartn z ideal: 0.147
chem comp atom.pdb atom id: H101
chem comp atom.pdbx ordinal: 34
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H102,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H102
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 0
chem comp atom.alt atom id: 2H10
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H102
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.053
chem comp atom.model cartn x ideal: -2.762
chem comp atom.model cartn y: 44.504
chem comp atom.model cartn y ideal: -0.974
chem comp atom.model cartn z: 18.947
chem comp atom.model cartn z ideal: -0.474
chem comp atom.pdb atom id: H102
chem comp atom.pdbx ordinal: 35
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H111,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H111
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 0
chem comp atom.alt atom id: 1H11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H111
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.576
chem comp atom.model cartn x ideal: -4.351
chem comp atom.model cartn y: 43.684
chem comp atom.model cartn y ideal: -2.455
chem comp atom.model cartn z: 19.058
chem comp atom.model cartn z ideal: 0.720
chem comp atom.pdb atom id: H111
chem comp atom.pdbx ordinal: 36
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H112,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H112
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 0
chem comp atom.alt atom id: 2H11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H112
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.130
chem comp atom.model cartn x ideal: -5.652
chem comp atom.model cartn y: 45.064
chem comp atom.model cartn y ideal: -1.951
chem comp atom.model cartn z: 20.213
chem comp atom.model cartn z ideal: -0.384
chem comp atom.pdb atom id: H112
chem comp atom.pdbx ordinal: 37
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H113,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H113
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 0
chem comp atom.alt atom id: 3H11
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H113
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 19.375
chem comp atom.model cartn x ideal: -4.263
chem comp atom.model cartn y: 43.286
chem comp atom.model cartn y ideal: -2.874
chem comp atom.model cartn z: 20.680
chem comp atom.model cartn z ideal: -1.006
chem comp atom.pdb atom id: H113
chem comp atom.pdbx ordinal: 38
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H18,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H18
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: H18
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H18
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.931
chem comp atom.model cartn x ideal: -1.707
chem comp atom.model cartn y: 37.752
chem comp atom.model cartn y ideal: 2.664
chem comp atom.model cartn z: 15.946
chem comp atom.model cartn z ideal: -0.450
chem comp atom.pdb atom id: H18
chem comp atom.pdbx ordinal: 39
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H19,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H19
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: H19
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H19
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.992
chem comp atom.model cartn x ideal: -1.472
chem comp atom.model cartn y: 38.425
chem comp atom.model cartn y ideal: 2.924
chem comp atom.model cartn z: 13.512
chem comp atom.model cartn z ideal: 2.008
chem comp atom.pdb atom id: H19
chem comp atom.pdbx ordinal: 40
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H25,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H25
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: H25
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H25
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.031
chem comp atom.model cartn x ideal: -1.632
chem comp atom.model cartn y: 45.016
chem comp atom.model cartn y ideal: -1.705
chem comp atom.model cartn z: 15.232
chem comp atom.model cartn z ideal: 3.998
chem comp atom.pdb atom id: H25
chem comp atom.pdbx ordinal: 41
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H26,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H26
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: H26
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H26
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.919
chem comp atom.model cartn x ideal: -1.847
chem comp atom.model cartn y: 46.772
chem comp atom.model cartn y ideal: -0.993
chem comp atom.model cartn z: 16.612
chem comp atom.model cartn z ideal: 6.344
chem comp atom.pdb atom id: H26
chem comp atom.pdbx ordinal: 42
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H27,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H27
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: H27
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H27
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.561
chem comp atom.model cartn x ideal: -0.126
chem comp atom.model cartn y: 46.476
chem comp atom.model cartn y ideal: 0.438
chem comp atom.model cartn z: 17.325
chem comp atom.model cartn z ideal: 7.363
chem comp atom.pdb atom id: H27
chem comp atom.pdbx ordinal: 43
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H28,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H28
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: H28
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H28
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.327
chem comp atom.model cartn x ideal: 1.818
chem comp atom.model cartn y: 44.387
chem comp atom.model cartn y ideal: 1.163
chem comp atom.model cartn z: 16.747
chem comp atom.model cartn z ideal: 6.040
chem comp atom.pdb atom id: H28
chem comp atom.pdbx ordinal: 44
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H34,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H34
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: H34
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H34
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.348
chem comp atom.model cartn x ideal: 2.956
chem comp atom.model cartn y: 42.345
chem comp atom.model cartn y ideal: -0.135
chem comp atom.model cartn z: 15.518
chem comp atom.model cartn z ideal: 3.664
chem comp atom.pdb atom id: H34
chem comp atom.pdbx ordinal: 45
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H36,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H36
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: H36
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H36
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 18.989
chem comp atom.model cartn x ideal: 1.565
chem comp atom.model cartn y: 35.886
chem comp atom.model cartn y ideal: -2.033
chem comp atom.model cartn z: 18.928
chem comp atom.model cartn z ideal: -3.224
chem comp atom.pdb atom id: H36
chem comp atom.pdbx ordinal: 46
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H37,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H37
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: H37
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H37
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 20.454
chem comp atom.model cartn x ideal: 3.955
chem comp atom.model cartn y: 34.007
chem comp atom.model cartn y ideal: -2.340
chem comp atom.model cartn z: 18.180
chem comp atom.model cartn z ideal: -2.727
chem comp atom.pdb atom id: H37
chem comp atom.pdbx ordinal: 47
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H39,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H39
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: H39
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H39
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 23.495
chem comp atom.model cartn x ideal: 4.165
chem comp atom.model cartn y: 36.841
chem comp atom.model cartn y ideal: 1.641
chem comp atom.model cartn z: 16.991
chem comp atom.model cartn z ideal: -1.200
chem comp atom.pdb atom id: H39
chem comp atom.pdbx ordinal: 48
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H40,PGJ,51128
type: chem comp atom
of datablock: info:bmrb/51128
reference to entry: entry
chem comp atom.atom id: H40
chem comp atom.comp id: PGJ
chem comp atom.entry id: 51128
chem comp atom.align: 1
chem comp atom.alt atom id: H40
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: H40
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 21.856
chem comp atom.model cartn x ideal: 1.778
chem comp atom.model cartn y: 38.736
chem comp atom.model cartn y ideal: 1.967
chem comp atom.model cartn z: 17.382
chem comp atom.model cartn z ideal: -1.697
chem comp atom.pdb atom id: H40
chem comp atom.pdbx ordinal: 49
chem comp atom.stereo config: N
chem comp atom.type symbol: H

PGJ,51128,1
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 1
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: N2
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,2
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 2
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PGJ,51128,3
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 3
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1
chem comp bond.atom id 2: C17
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,4
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 4
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: O3
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,5
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 5
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: C6
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,6
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 6
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: O3
chem comp bond.atom id 2: C4
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,7
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 7
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,8
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 8
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: O47
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PGJ,51128,9
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 9
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C35
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,10
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 10
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: O7
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,11
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 11
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H61
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,12
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 12
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: H62
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,13
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 13
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O7
chem comp bond.atom id 2: C10
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,14
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 14
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: C11
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,15
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 15
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H101
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,16
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H102
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,17
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 17
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H111
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,18
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 18
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H112
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,19
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 19
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C11
chem comp bond.atom id 2: H113
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,20
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 20
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: C18
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PGJ,51128,21
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 21
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C17
chem comp bond.atom id 2: N22
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,22
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 22
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: C19
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,23
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 23
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C18
chem comp bond.atom id 2: H18
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,24
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 24
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: N20
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PGJ,51128,25
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C19
chem comp bond.atom id 2: H19
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,26
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 26
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: N20
chem comp bond.atom id 2: C21
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,27
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 27
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: N22
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PGJ,51128,28
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C21
chem comp bond.atom id 2: O23
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,29
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O23
chem comp bond.atom id 2: C24
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,30
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 30
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C25
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PGJ,51128,31
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 31
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C24
chem comp bond.atom id 2: C29
chem comp bond.ordinal: 31
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,32
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 32
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: C26
chem comp bond.ordinal: 32
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,33
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 33
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C25
chem comp bond.atom id 2: H25
chem comp bond.ordinal: 33
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,34
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 34
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: C27
chem comp bond.ordinal: 34
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PGJ,51128,35
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 35
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C26
chem comp bond.atom id 2: H26
chem comp bond.ordinal: 35
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,36
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 36
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: C28
chem comp bond.ordinal: 36
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,37
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 37
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C27
chem comp bond.atom id 2: H27
chem comp bond.ordinal: 37
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,38
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 38
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: C29
chem comp bond.ordinal: 38
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PGJ,51128,39
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 39
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C28
chem comp bond.atom id 2: H28
chem comp bond.ordinal: 39
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,40
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 40
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C29
chem comp bond.atom id 2: O34
chem comp bond.ordinal: 40
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,41
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 41
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O34
chem comp bond.atom id 2: H34
chem comp bond.ordinal: 41
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,42
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 42
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: C36
chem comp bond.ordinal: 42
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PGJ,51128,43
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 43
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C35
chem comp bond.atom id 2: C40
chem comp bond.ordinal: 43
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,44
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 44
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C36
chem comp bond.atom id 2: C37
chem comp bond.ordinal: 44
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,45
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 45
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C36
chem comp bond.atom id 2: H36
chem comp bond.ordinal: 45
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,46
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 46
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C37
chem comp bond.atom id 2: C38
chem comp bond.ordinal: 46
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PGJ,51128,47
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 47
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C37
chem comp bond.atom id 2: H37
chem comp bond.ordinal: 47
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,48
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 48
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C38
chem comp bond.atom id 2: C39
chem comp bond.ordinal: 48
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,49
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 49
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C38
chem comp bond.atom id 2: F45
chem comp bond.ordinal: 49
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,50
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 50
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C39
chem comp bond.atom id 2: C40
chem comp bond.ordinal: 50
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PGJ,51128,51
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 51
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C39
chem comp bond.atom id 2: H39
chem comp bond.ordinal: 51
chem comp bond.stereo config: N
chem comp bond.value order: SING

PGJ,51128,52
type: chem comp bond
of datablock: info:bmrb/51128
chem comp bond.comp id: PGJ
chem comp bond.entry id: 51128
chem comp bond.id: 52
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C40
chem comp bond.atom id 2: H40
chem comp bond.ordinal: 52
chem comp bond.stereo config: N
chem comp bond.value order: SING

http://bmrbpub.pdbj.org/rdf/bmr51128/chem_comp_descriptor/PGJ,CCOCN1C(%3DC(C(%3DO)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O,51128,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/51128
chem comp descriptor.comp id: PGJ
chem comp descriptor.descriptor: CCOCN1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O
chem comp descriptor.entry id: 51128
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr51128/chem_comp_descriptor/PGJ,CCOCN1OC(%3DO)C(%3DC1c2ccnc(Oc3ccccc3O)n2)c4ccc(F)cc4,51128,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/51128
chem comp descriptor.comp id: PGJ
chem comp descriptor.descriptor: CCOCN1OC(=O)C(=C1c2ccnc(Oc3ccccc3O)n2)c4ccc(F)cc4
chem comp descriptor.entry id: 51128
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr51128/chem_comp_descriptor/PGJ,CCOCN1OC(%3DO)C(%3DC1c2ccnc(Oc3ccccc3O)n2)c4ccc(F)cc4,51128,CACTVS,3.341,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/51128
chem comp descriptor.comp id: PGJ
chem comp descriptor.descriptor: CCOCN1OC(=O)C(=C1c2ccnc(Oc3ccccc3O)n2)c4ccc(F)cc4
chem comp descriptor.entry id: 51128
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr51128/chem_comp_descriptor/PGJ,CCOC%5BN%40%5D1C(%3DC(C(%3DO)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O,51128,OECHEM,1.5.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/51128
chem comp descriptor.comp id: PGJ
chem comp descriptor.descriptor: CCOC[N@]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O
chem comp descriptor.entry id: 51128
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr51128/chem_comp_descriptor/PGJ,Fc4ccc(C%3D1C(%3DO)ON(C%3D1c3nc(Oc2ccccc2O)ncc3)COCC)cc4,51128,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/51128
chem comp descriptor.comp id: PGJ
chem comp descriptor.descriptor: Fc4ccc(C=1C(=O)ON(C=1c3nc(Oc2ccccc2O)ncc3)COCC)cc4
chem comp descriptor.entry id: 51128
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

PGJ,,51128,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/51128
chem comp descriptor.comp id: PGJ
chem comp descriptor.descriptor: InChI=1S/C22H18FN3O5/c1-2-29-13-26-20(19(21(28)31-26)14-7-9-15(23)10-8-14)16-11-12-24-22(25-16)30-18-6-4-3-5-17(18)27/h3-12,27H,2,13H2,1H3
chem comp descriptor.entry id: 51128
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

PGJ,ZSOXFJURLPCSOO-UHFFFAOYSA-N,51128,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/51128
chem comp descriptor.comp id: PGJ
chem comp descriptor.descriptor: ZSOXFJURLPCSOO-UHFFFAOYSA-N
chem comp descriptor.entry id: 51128
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

PGJ,51128,,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/51128
chem comp identifier.comp id: PGJ
chem comp identifier.entry id: 51128
chem comp identifier.identifier: (2R)-2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]-1,2-oxazol-5-one
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

PGJ,51128,2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrim,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/51128
chem comp identifier.comp id: PGJ
chem comp identifier.entry id: 51128
chem comp identifier.identifier: 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5(2H)-one
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

1,51128,1
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 1
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 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: 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: 511280301

1,51128,2
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
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: 0.500
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLN
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: 0.500
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 511280301

1,51128,3
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 3
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.917
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 8
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: 511280301

1,51128,4
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.636
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 511280301

1,51128,5
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 5
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.389
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 10
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.231
chem shift completeness char.sf id: 511280301

1,51128,6
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: GLN
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: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,7
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 7
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,8
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
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: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 13
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: 511280301

1,51128,9
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 9
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.800
chem shift completeness char.chem shift coverage: 0.824
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 511280301

1,51128,10
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 10
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.143
chem shift completeness char.sc chem shift coverage: 0.154
chem shift completeness char.sf id: 511280301

1,51128,11
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 11
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
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: 511280301

1,51128,12
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 12
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 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: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,13
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 13
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.778
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.714
chem shift completeness char.sc chem shift coverage: 0.545
chem shift completeness char.sf id: 511280301

1,51128,14
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 14
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.300
chem shift completeness char.chem shift coverage: 0.300
chem shift completeness char.comp id: TRP
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: 0.167
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.125
chem shift completeness char.sc chem shift coverage: 0.133
chem shift completeness char.sf id: 511280301

1,51128,15
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 15
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.286
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.313
chem shift completeness char.comp id: TYR
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: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.091
chem shift completeness char.sf id: 511280301

1,51128,16
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
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: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,17
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 17
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: 22
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: 511280301

1,51128,18
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 18
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 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: 23
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,19
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
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: 0.000
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: 1.000
chem shift completeness char.chem shift 1h coverage: 0.714
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: LEU
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: 0.500
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: 511280301

1,51128,20
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
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: 0.857
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 511280301

1,51128,21
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 21
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: 0.750
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
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: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,22
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
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: 0.500
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.364
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: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 511280301

1,51128,23
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
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: 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: 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: 511280301

1,51128,24
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 24
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: 511280301

1,51128,25
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 25
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n 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: TRP
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 511280301

1,51128,26
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 26
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 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: 0.250
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.222
chem shift completeness char.chem shift coverage: 0.222
chem shift completeness char.comp id: PHE
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: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.143
chem shift completeness char.sc chem shift coverage: 0.154
chem shift completeness char.sf id: 511280301

1,51128,27
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 27
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.778
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.714
chem shift completeness char.sc chem shift coverage: 0.727
chem shift completeness char.sf id: 511280301

1,51128,28
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 28
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.833
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 33
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 511280301

1,51128,29
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 29
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 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: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 511280301

1,51128,30
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 30
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.941
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 511280301

1,51128,31
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 31
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
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: 36
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: 511280301

1,51128,32
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 32
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 37
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: 511280301

1,51128,33
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 33
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
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: LEU
chem shift completeness char.comp index id: 38
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 511280301

1,51128,34
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 34
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.286
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.375
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 39
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.167
chem shift completeness char.sc chem shift coverage: 0.182
chem shift completeness char.sf id: 511280301

1,51128,35
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 35
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.429
chem shift completeness char.chem shift coverage: 0.462
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 40
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.200
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 511280301

1,51128,36
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 36
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: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 511280301

1,51128,37
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 37
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 42
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 511280301

1,51128,38
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 38
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 43
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 511280301

1,51128,39
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
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: VAL
chem shift completeness char.comp index id: 44
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 511280301

1,51128,40
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 40
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 45
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: 511280301

1,51128,41
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 41
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 46
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 511280301

1,51128,42
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 42
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.400
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: 47
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 511280301

1,51128,43
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 43
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 48
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 511280301

1,51128,44
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 44
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: 0.500
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.556
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 49
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.750
chem shift completeness char.sf id: 511280301

1,51128,45
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 45
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 50
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 511280301

1,51128,46
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 46
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: 51
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,47
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 47
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 52
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,48
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
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: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 53
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 511280301

1,51128,49
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 49
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.545
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 54
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.250
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 511280301

1,51128,50
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 50
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 511280301

1,51128,51
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 51
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 56
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: 511280301

1,51128,52
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 52
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: SER
chem shift completeness char.comp index id: 57
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 511280301

1,51128,53
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 53
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 58
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: 511280301

1,51128,54
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 54
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.444
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 59
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.231
chem shift completeness char.sf id: 511280301

1,51128,55
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 55
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: 60
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: 511280301

1,51128,56
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
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: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 61
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 511280301

1,51128,57
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 57
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.700
chem shift completeness char.chem shift coverage: 0.824
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 62
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.625
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 511280301

1,51128,58
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 58
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.636
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 511280301

1,51128,59
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 59
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 64
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.556
chem shift completeness char.sf id: 511280301

1,51128,60
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 60
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 65
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,61
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 61
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 66
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 511280301

1,51128,62
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 62
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: 0.500
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: 0.778
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 0.750
chem shift completeness char.sf id: 511280301

1,51128,63
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 63
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.706
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 68
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,64
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 64
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 511280301

1,51128,65
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 65
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.846
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 70
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.875
chem shift completeness char.sf id: 511280301

1,51128,66
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 66
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 71
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: 511280301

1,51128,67
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 67
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.714
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 72
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.600
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 511280301

1,51128,68
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 68
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: 0.500
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 73
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
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: 0.111
chem shift completeness char.sf id: 511280301

1,51128,69
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 69
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 1h coverage: 0.571
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 74
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 511280301

1,51128,70
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 70
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 75
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: 511280301

1,51128,71
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 71
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: 76
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,72
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 72
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: 77
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: 511280301

1,51128,73
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 73
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 78
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.833
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 511280301

1,51128,74
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 74
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: 79
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,75
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 75
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.583
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 80
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 511280301

1,51128,76
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 76
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.286
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.375
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 81
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.167
chem shift completeness char.sc chem shift coverage: 0.182
chem shift completeness char.sf id: 511280301

1,51128,77
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 77
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: 0.500
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: 0.778
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 82
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: 0.750
chem shift completeness char.sf id: 511280301

1,51128,78
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 78
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 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: 0.286
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.250
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 83
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.167
chem shift completeness char.sc chem shift coverage: 0.182
chem shift completeness char.sf id: 511280301

1,51128,79
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 79
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: 0.750
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 84
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,80
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 80
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: 0.750
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 85
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,81
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 81
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: 86
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: 511280301

1,51128,82
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 82
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: 87
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: 511280301

1,51128,83
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 83
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 88
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,84
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 84
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: 89
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,85
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 85
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: 0.750
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 90
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,86
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 86
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 91
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: 511280301

1,51128,87
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 87
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.583
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 92
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: 0.250
chem shift completeness char.sc chem shift coverage: 0.286
chem shift completeness char.sf id: 511280301

1,51128,88
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 88
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: 0.750
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 93
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,89
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 89
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 94
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: 511280301

1,51128,90
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 90
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: 0.750
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 95
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,91
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 91
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: VAL
chem shift completeness char.comp index id: 96
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: 511280301

1,51128,92
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 92
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 97
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: 511280301

1,51128,93
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 93
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.545
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 98
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.250
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 511280301

1,51128,94
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 94
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: 99
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: 511280301

1,51128,95
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 95
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: ASN
chem shift completeness char.comp index id: 100
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: 511280301

1,51128,96
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 96
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: TYR
chem shift completeness char.comp index id: 101
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: 511280301

1,51128,97
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 97
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 102
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 511280301

1,51128,98
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 98
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: GLU
chem shift completeness char.comp index id: 103
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: 511280301

1,51128,99
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 99
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: TYR
chem shift completeness char.comp index id: 104
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: 511280301

1,51128,100
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 100
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: 105
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: 511280301

1,51128,101
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 101
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 106
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 511280301

1,51128,102
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 102
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.429
chem shift completeness char.chem shift coverage: 0.571
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 107
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: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.200
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 511280301

1,51128,103
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 103
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.389
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 108
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.143
chem shift completeness char.sc chem shift coverage: 0.154
chem shift completeness char.sf id: 511280301

1,51128,104
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 104
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: 0.750
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 109
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,105
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 105
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.556
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 110
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.429
chem shift completeness char.sc chem shift coverage: 0.545
chem shift completeness char.sf id: 511280301

1,51128,106
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 106
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: 111
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,107
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 107
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 112
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: 511280301

1,51128,108
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 108
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 113
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 511280301

1,51128,109
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 109
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: 114
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,110
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 110
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.250
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.429
chem shift completeness char.chem shift coverage: 0.250
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 115
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: 0.333
chem shift completeness char.sc chem shift coverage: 0.222
chem shift completeness char.sf id: 511280301

1,51128,111
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 111
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 116
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,112
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 112
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: GLN
chem shift completeness char.comp index id: 117
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: 511280301

1,51128,113
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 113
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
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: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 118
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: 511280301

1,51128,114
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 114
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: 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: 0.333
chem shift completeness char.chem shift coverage: 0.222
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 119
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: 0.143
chem shift completeness char.sc chem shift coverage: 0.077
chem shift completeness char.sf id: 511280301

1,51128,115
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 115
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 120
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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.143
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 511280301

1,51128,116
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 116
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: 0.429
chem shift completeness char.chem shift coverage: 0.462
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 121
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: 0.200
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 511280301

1,51128,117
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 117
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: 122
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: 511280301

1,51128,118
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 118
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 123
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: 511280301

1,51128,119
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 119
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.429
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 124
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: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.200
chem shift completeness char.sc chem shift coverage: 0.556
chem shift completeness char.sf id: 511280301

1,51128,120
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 120
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: GLN
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 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: 511280301

1,51128,121
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 121
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: 2
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,122
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 122
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: 0.333
chem shift completeness char.chem shift coverage: 0.167
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.286
chem shift completeness char.sf id: 511280301

1,51128,123
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 123
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
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: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,124
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 124
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 511280301

1,51128,125
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 125
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.286
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.438
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 125
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 511280301

1,51128,126
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 126
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: SER
chem shift completeness char.comp index id: 126
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: 511280301

1,51128,127
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 127
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 127
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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.143
chem shift completeness char.sc chem shift coverage: 0.182
chem shift completeness char.sf id: 511280301

1,51128,128
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 128
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 128
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: 511280301

1,51128,129
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 129
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 129
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,130
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 130
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 130
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: 511280301

1,51128,131
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 131
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.833
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: 0.857
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 131
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: 0.800
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 511280301

1,51128,132
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 132
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.900
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 132
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.875
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 511280301

1,51128,133
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 133
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 133
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,134
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 134
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.833
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 134
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 511280301

1,51128,135
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 135
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 135
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: 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: 511280301

1,51128,136
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 136
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.941
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 136
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: 511280301

1,51128,137
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 137
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 137
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: 511280301

1,51128,138
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 138
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: LYS
chem shift completeness char.comp index id: 138
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: 511280301

1,51128,139
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 139
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 139
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.143
chem shift completeness char.sc chem shift coverage: 0.154
chem shift completeness char.sf id: 511280301

1,51128,140
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 140
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: 0.500
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: 0.778
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 140
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: 0.750
chem shift completeness char.sf id: 511280301

1,51128,141
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 141
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 141
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: 511280301

1,51128,142
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 142
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.389
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 142
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.231
chem shift completeness char.sf id: 511280301

1,51128,143
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 143
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: 143
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: 511280301

1,51128,144
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 144
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.300
chem shift completeness char.chem shift coverage: 0.529
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 144
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.125
chem shift completeness char.sc chem shift coverage: 0.417
chem shift completeness char.sf id: 511280301

1,51128,145
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 145
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: 145
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: 511280301

1,51128,146
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 146
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 146
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 511280301

1,51128,147
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 147
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: 147
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 511280301

1,51128,148
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 148
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 148
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 511280301

1,51128,149
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 149
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.778
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 149
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 511280301

1,51128,150
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 150
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 150
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: 511280301

1,51128,151
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 151
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.833
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 151
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 511280301

1,51128,152
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 152
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 152
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: 511280301

1,51128,153
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 153
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 153
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: 511280301

1,51128,154
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 154
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 154
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: 511280301

1,51128,155
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 155
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.250
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 155
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.143
chem shift completeness char.sc chem shift coverage: 0.154
chem shift completeness char.sf id: 511280301

1,51128,156
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 156
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 156
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: 511280301

1,51128,157
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 157
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.917
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 157
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: 511280301

1,51128,158
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 158
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: 0.500
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 158
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
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: 0.111
chem shift completeness char.sf id: 511280301

1,51128,159
type: chem shift completeness char
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 51128
chem shift completeness char.id: 159
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 1h coverage: 0.429
chem shift completeness char.chem shift coverage: 0.417
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 159
chem shift completeness char.entity assembly id: 1
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chem shift completeness char.sc chem shift coverage: 0.333
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1,51128,160
type: chem shift completeness char
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reference to entry: entry
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chem shift completeness char.id: 160
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.875
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chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
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1,51128,161
type: chem shift completeness char
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reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
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chem shift completeness char.id: 161
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.941
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chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
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1,51128,162
type: chem shift completeness char
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reference to entry: entry
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chem shift completeness char.id: 162
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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
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chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
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1,51128,163
type: chem shift completeness char
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reference to entry: entry
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chem shift completeness char.id: 163
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
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chem shift completeness char.entity assembly id: 1
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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
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1,51128,164
type: chem shift completeness char
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reference to entry: entry
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chem shift completeness char.id: 164
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.625
chem shift completeness char.chem shift coverage: 0.643
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chem shift completeness char.sc chem shift coverage: 0.556
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1,51128,165
type: chem shift completeness char
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reference to entry: entry
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chem shift completeness char.id: 165
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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: 0.500
chem shift completeness char.chem shift coverage: 0.545
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chem shift completeness char.sc chem shift 1h coverage: 0.250
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 511280301

1,51128
type: chem shift completeness list
of datablock: info:bmrb/51128
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 51128
chem shift completeness list.arom chem shift 13c fraction: 0/91
chem shift completeness list.arom chem shift 15n fraction: 0/2
chem shift completeness list.arom chem shift 1h fraction: 0/93
chem shift completeness list.arom chem shift fraction: 0/186
chem shift completeness list.assigned residue coverage: 0.921
chem shift completeness list.bb chem shift 13c fraction: 307/483
chem shift completeness list.bb chem shift 15n fraction: 141/157
chem shift completeness list.bb chem shift 1h fraction: 295/334
chem shift completeness list.bb chem shift fraction: 743/974
chem shift completeness list.chem shift 13c fraction: 441/751
chem shift completeness list.chem shift 15n fraction: 142/181
chem shift completeness list.chem shift 1h fraction: 670/1003
chem shift completeness list.chem shift fraction: 1253/1935
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr51128_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 64/78
chem shift completeness list.methyl chem shift 1h fraction: 71/78
chem shift completeness list.methyl chem shift fraction: 135/156
chem shift completeness list.output file name: bmr51128_chem_shift_completeness.str
chem shift completeness list.queried date: 2022-06-07Z
chem shift completeness list.sc chem shift 13c fraction: 271/421
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chem shift completeness list.sc chem shift 1h fraction: 375/669
chem shift completeness list.sc chem shift fraction: 647/1114
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1,51128,2
type: chem shift experiment
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1,51128,3
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1,51128,4
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1,51128,6
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13,C,1,51128,DSS
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chem shift ref.atom type: C
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chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 0.2514495
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: na
chem shift ref.ref type: indirect

1,H,1,51128,DSS
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15,N,1,51128,DSS
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chem shift ref.indirect shift ratio: 0.1013291
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chem shift ref.ref type: indirect

51128,1
type: chem shift reference
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chem shift reference.name: CSref 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chem_shift_reference_1

1,51128,1
type: chem shift software
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chem shift software.assigned chem shift list id: 1
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1,51128,2
type: chem shift software
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chem shift software.software label: software_2

51128,1
type: citation
of datablock: info:bmrb/51128
reference to entry: entry
citation.entry id: 51128
citation.id: 1
citation.class: entry citation
citation.doi: 10.1007/s12104-022-10084-5
citation.journal abbrev: Biomol. NMR Assign.
citation.journal issn: 1874-2718
citation.journal issue: 2
citation.journal name full: Biomolecular NMR assignments
citation.journal volume: 16
citation.page first: 225
citation.page last: 229
citation.pubmed id: 35445291
citation.sf category: citations
citation.sf framecode: citations_1
citation.status: published
citation.title: NMR resonance assignments of mouse lipocalin-type prostaglandin D synthase/prostaglandin J2 complex.
citation.type: journal
citation.year: 2022

info:doi/10.1007/s12104-022-10084-5

doi:10.1007/s12104-022-10084-5

urn:ISSN:1874-2718

issn:1874-2718

info:pmid/35445291

pubmed:35445291

1,51128,1
type: citation author
of datablock: info:bmrb/51128
citation author.citation id: 1
citation author.entry id: 51128
citation author.ordinal: 1
citation author.family name: Shimamoto
citation author.first initial: S.
citation author.given name: Shigeru
citation author.pdbx name: Shimamoto, S.

1,51128,2
type: citation author
of datablock: info:bmrb/51128
citation author.citation id: 1
citation author.entry id: 51128
citation author.ordinal: 2
citation author.family name: Nakahata
citation author.first initial: Y.
citation author.given name: Yuta
citation author.pdbx name: Nakahata, Y.

1,51128,3
type: citation author
of datablock: info:bmrb/51128
citation author.citation id: 1
citation author.entry id: 51128
citation author.ordinal: 3
citation author.family name: Hidaka
citation author.first initial: Y.
citation author.given name: Yuji
citation author.pdbx name: Hidaka, Y.

1,51128,4
type: citation author
of datablock: info:bmrb/51128
citation author.citation id: 1
citation author.entry id: 51128
citation author.ordinal: 4
citation author.family name: Yoshida
citation author.first initial: T.
citation author.given name: Takuya
citation author.pdbx name: Yoshida, T.

1,51128,5
type: citation author
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citation author.citation id: 1
citation author.entry id: 51128
citation author.ordinal: 5
citation author.family name: Ohkubo
citation author.first initial: T.
citation author.given name: Tadayasu
citation author.pdbx name: Ohkubo, T.

51128,assigned chemical shifts
type: data set
of datablock: info:bmrb/51128
reference to entry: entry
data set.entry id: 51128
data set.type: assigned_chemical_shifts
data set.count: 1

51128,13C chemical shifts
type: datum
of datablock: info:bmrb/51128
reference to entry: entry
datum.entry id: 51128
datum.type: 13C chemical shifts
datum.count: 414

51128,15N chemical shifts
type: datum
of datablock: info:bmrb/51128
reference to entry: entry
datum.entry id: 51128
datum.type: 15N chemical shifts
datum.count: 135

51128,1H chemical shifts
type: datum
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reference to entry: entry
datum.entry id: 51128
datum.type: 1H chemical shifts
datum.count: 804

51128,1
type: entity
of datablock: info:bmrb/51128
reference to entry: entry
entity.entry id: 51128
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 18483.59
entity.name: entity 1
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.number of monomers: 165
entity.paramagnetic: no
entity.parent entity id: 1
entity.polymer seq one letter code: QGHDTVQPNFQQDKFLGRWYSAGLASNSSWFREKKAVLYMCKTVVAPSTEGGLNLTSTFLRKNQCETKIMVLQPAGAPGHYTYSSPHSGSIHSVSVVEANYDEYALLFSRGTKGPGQDFRMATLYSRTQTLKDELKEKFTTFSKAQGLTEEDIVFLPQPDKCIQE
entity.polymer seq one letter code can: QGHDTVQPNFQQDKFLGRWYSAGLASNSSWFREKKAVLYMCKTVVAPSTEGGLNLTSTFLRKNQCETKIMVLQPAGAPGHYTYSSPHSGSIHSVSVVEANYDEYALLFSRGTKGPGQDFRMATLYSRTQTLKDELKEKFTTFSKAQGLTEEDIVFLPQPDKCIQE
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: entity_1
entity.thiol state: free disulfide and other bound
entity.type: polymer

51128,2
type: entity
of datablock: info:bmrb/51128
reference to entry: entry
entity.entry id: 51128
entity.id: 2
entity.bmrb code: PGJ
entity.formula weight: 423.394
entity.name: entity PGJ
entity.nonpolymer comp id: PGJ
entity.nonpolymer comp label: chem_comp_PGJ
entity.number of nonpolymer components: 1
entity.parent entity id: 2
entity.polymer seq one letter code can: (PGJ)
entity.sf category: entity
entity.sf framecode: entity_PGJ
entity.type: non-polymer

1,51128,1
type: entity assembly
of datablock: info:bmrb/51128
entity assembly.assembly id: 1
entity assembly.entry id: 51128
entity assembly.id: 1
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: polypeptide
entity assembly.entity id: 1
entity assembly.entity label: entity_1
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,51128,2
type: entity assembly
of datablock: info:bmrb/51128
entity assembly.assembly id: 1
entity assembly.entry id: 51128
entity assembly.id: 2
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: ligand
entity assembly.entity id: 2
entity assembly.entity label: entity_PGJ
entity assembly.experimental data reported: no
entity assembly.physical state: native

Prostaglandin D synthase,1,51128
type: entity biological function
of datablock: info:bmrb/51128
entity biological function.biological function: Prostaglandin D synthase
entity biological function.entity id: 1
entity biological function.entry id: 51128

2,51128,2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIM,BMRB
type: entity common name
of datablock: info:bmrb/51128
entity common name.entity id: 2
entity common name.entry id: 51128
entity common name.name: 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE
entity common name.type: BMRB

1,51128,1
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 1
entity comp index.auth seq id: 25
entity comp index.comp id: GLN

1,51128,2
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 2
entity comp index.auth seq id: 26
entity comp index.comp id: GLY

1,51128,3
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 3
entity comp index.auth seq id: 27
entity comp index.comp id: HIS

1,51128,4
type: entity comp index
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entity comp index.entity id: 1
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entity comp index.id: 4
entity comp index.auth seq id: 28
entity comp index.comp id: ASP

1,51128,5
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 5
entity comp index.auth seq id: 29
entity comp index.comp id: THR

1,51128,6
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 6
entity comp index.auth seq id: 30
entity comp index.comp id: VAL

1,51128,7
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 7
entity comp index.auth seq id: 31
entity comp index.comp id: GLN

1,51128,8
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 8
entity comp index.auth seq id: 32
entity comp index.comp id: PRO

1,51128,9
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 9
entity comp index.auth seq id: 33
entity comp index.comp id: ASN

1,51128,10
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 10
entity comp index.auth seq id: 34
entity comp index.comp id: PHE

1,51128,11
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 11
entity comp index.auth seq id: 35
entity comp index.comp id: GLN

1,51128,12
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 12
entity comp index.auth seq id: 36
entity comp index.comp id: GLN

1,51128,13
type: entity comp index
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entity comp index.entity id: 1
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entity comp index.id: 13
entity comp index.auth seq id: 37
entity comp index.comp id: ASP

1,51128,14
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 14
entity comp index.auth seq id: 38
entity comp index.comp id: LYS

1,51128,15
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 15
entity comp index.auth seq id: 39
entity comp index.comp id: PHE

1,51128,16
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 16
entity comp index.auth seq id: 40
entity comp index.comp id: LEU

1,51128,17
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 17
entity comp index.auth seq id: 41
entity comp index.comp id: GLY

1,51128,18
type: entity comp index
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entity comp index.entity id: 1
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entity comp index.id: 18
entity comp index.auth seq id: 42
entity comp index.comp id: ARG

1,51128,19
type: entity comp index
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entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 19
entity comp index.auth seq id: 43
entity comp index.comp id: TRP

1,51128,20
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 20
entity comp index.auth seq id: 44
entity comp index.comp id: TYR

1,51128,21
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 21
entity comp index.auth seq id: 45
entity comp index.comp id: SER

1,51128,22
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 22
entity comp index.auth seq id: 46
entity comp index.comp id: ALA

1,51128,23
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 23
entity comp index.auth seq id: 47
entity comp index.comp id: GLY

1,51128,24
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 24
entity comp index.auth seq id: 48
entity comp index.comp id: LEU

1,51128,25
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 25
entity comp index.auth seq id: 49
entity comp index.comp id: ALA

1,51128,26
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 26
entity comp index.auth seq id: 50
entity comp index.comp id: SER

1,51128,27
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 27
entity comp index.auth seq id: 51
entity comp index.comp id: ASN

1,51128,28
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 28
entity comp index.auth seq id: 52
entity comp index.comp id: SER

1,51128,29
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 29
entity comp index.auth seq id: 53
entity comp index.comp id: SER

1,51128,30
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 30
entity comp index.auth seq id: 54
entity comp index.comp id: TRP

1,51128,31
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 31
entity comp index.auth seq id: 55
entity comp index.comp id: PHE

1,51128,32
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 32
entity comp index.auth seq id: 56
entity comp index.comp id: ARG

1,51128,33
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 33
entity comp index.auth seq id: 57
entity comp index.comp id: GLU

1,51128,34
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 34
entity comp index.auth seq id: 58
entity comp index.comp id: LYS

1,51128,35
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 35
entity comp index.auth seq id: 59
entity comp index.comp id: LYS

1,51128,36
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 36
entity comp index.auth seq id: 60
entity comp index.comp id: ALA

1,51128,37
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 37
entity comp index.auth seq id: 61
entity comp index.comp id: VAL

1,51128,38
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 38
entity comp index.auth seq id: 62
entity comp index.comp id: LEU

1,51128,39
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 39
entity comp index.auth seq id: 63
entity comp index.comp id: TYR

1,51128,40
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 40
entity comp index.auth seq id: 64
entity comp index.comp id: MET

1,51128,41
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 41
entity comp index.auth seq id: 65
entity comp index.comp id: CYS

1,51128,42
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 42
entity comp index.auth seq id: 66
entity comp index.comp id: LYS

1,51128,43
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 43
entity comp index.auth seq id: 67
entity comp index.comp id: THR

1,51128,44
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 44
entity comp index.auth seq id: 68
entity comp index.comp id: VAL

1,51128,45
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 45
entity comp index.auth seq id: 69
entity comp index.comp id: VAL

1,51128,46
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 46
entity comp index.auth seq id: 70
entity comp index.comp id: ALA

1,51128,47
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 47
entity comp index.auth seq id: 71
entity comp index.comp id: PRO

1,51128,48
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 48
entity comp index.auth seq id: 72
entity comp index.comp id: SER

1,51128,49
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 49
entity comp index.auth seq id: 73
entity comp index.comp id: THR

1,51128,50
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 50
entity comp index.auth seq id: 74
entity comp index.comp id: GLU

1,51128,51
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 51
entity comp index.auth seq id: 75
entity comp index.comp id: GLY

1,51128,52
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 52
entity comp index.auth seq id: 76
entity comp index.comp id: GLY

1,51128,53
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 53
entity comp index.auth seq id: 77
entity comp index.comp id: LEU

1,51128,54
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 54
entity comp index.auth seq id: 78
entity comp index.comp id: ASN

1,51128,55
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 55
entity comp index.auth seq id: 79
entity comp index.comp id: LEU

1,51128,56
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 56
entity comp index.auth seq id: 80
entity comp index.comp id: THR

1,51128,57
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 57
entity comp index.auth seq id: 81
entity comp index.comp id: SER

1,51128,58
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 58
entity comp index.auth seq id: 82
entity comp index.comp id: THR

1,51128,59
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 59
entity comp index.auth seq id: 83
entity comp index.comp id: PHE

1,51128,60
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 60
entity comp index.auth seq id: 84
entity comp index.comp id: LEU

1,51128,61
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 61
entity comp index.auth seq id: 85
entity comp index.comp id: ARG

1,51128,62
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 62
entity comp index.auth seq id: 86
entity comp index.comp id: LYS

1,51128,63
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 63
entity comp index.auth seq id: 87
entity comp index.comp id: ASN

1,51128,64
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 64
entity comp index.auth seq id: 88
entity comp index.comp id: GLN

1,51128,65
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 65
entity comp index.auth seq id: 89
entity comp index.comp id: CYS

1,51128,66
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 66
entity comp index.auth seq id: 90
entity comp index.comp id: GLU

1,51128,67
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 67
entity comp index.auth seq id: 91
entity comp index.comp id: THR

1,51128,68
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 68
entity comp index.auth seq id: 92
entity comp index.comp id: LYS

1,51128,69
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 69
entity comp index.auth seq id: 93
entity comp index.comp id: ILE

1,51128,70
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 70
entity comp index.auth seq id: 94
entity comp index.comp id: MET

1,51128,71
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 71
entity comp index.auth seq id: 95
entity comp index.comp id: VAL

1,51128,72
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 72
entity comp index.auth seq id: 96
entity comp index.comp id: LEU

1,51128,73
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 73
entity comp index.auth seq id: 97
entity comp index.comp id: GLN

1,51128,74
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 74
entity comp index.auth seq id: 98
entity comp index.comp id: PRO

1,51128,75
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 75
entity comp index.auth seq id: 99
entity comp index.comp id: ALA

1,51128,76
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 76
entity comp index.auth seq id: 100
entity comp index.comp id: GLY

1,51128,77
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 77
entity comp index.auth seq id: 101
entity comp index.comp id: ALA

1,51128,78
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 78
entity comp index.auth seq id: 102
entity comp index.comp id: PRO

1,51128,79
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 79
entity comp index.auth seq id: 103
entity comp index.comp id: GLY

1,51128,80
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 80
entity comp index.auth seq id: 104
entity comp index.comp id: HIS

1,51128,81
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 81
entity comp index.auth seq id: 105
entity comp index.comp id: TYR

1,51128,82
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 82
entity comp index.auth seq id: 106
entity comp index.comp id: THR

1,51128,83
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 83
entity comp index.auth seq id: 107
entity comp index.comp id: TYR

1,51128,84
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 84
entity comp index.auth seq id: 108
entity comp index.comp id: SER

1,51128,85
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 85
entity comp index.auth seq id: 109
entity comp index.comp id: SER

1,51128,86
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 86
entity comp index.auth seq id: 110
entity comp index.comp id: PRO

1,51128,87
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 87
entity comp index.auth seq id: 111
entity comp index.comp id: HIS

1,51128,88
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 88
entity comp index.auth seq id: 112
entity comp index.comp id: SER

1,51128,89
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 89
entity comp index.auth seq id: 113
entity comp index.comp id: GLY

1,51128,90
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 90
entity comp index.auth seq id: 114
entity comp index.comp id: SER

1,51128,91
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 91
entity comp index.auth seq id: 115
entity comp index.comp id: ILE

1,51128,92
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 92
entity comp index.auth seq id: 116
entity comp index.comp id: HIS

1,51128,93
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 93
entity comp index.auth seq id: 117
entity comp index.comp id: SER

1,51128,94
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 94
entity comp index.auth seq id: 118
entity comp index.comp id: VAL

1,51128,95
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 95
entity comp index.auth seq id: 119
entity comp index.comp id: SER

1,51128,96
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 96
entity comp index.auth seq id: 120
entity comp index.comp id: VAL

1,51128,97
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 97
entity comp index.auth seq id: 121
entity comp index.comp id: VAL

1,51128,98
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 98
entity comp index.auth seq id: 122
entity comp index.comp id: GLU

1,51128,99
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 99
entity comp index.auth seq id: 123
entity comp index.comp id: ALA

1,51128,100
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 100
entity comp index.auth seq id: 124
entity comp index.comp id: ASN

1,51128,101
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 101
entity comp index.auth seq id: 125
entity comp index.comp id: TYR

1,51128,102
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 102
entity comp index.auth seq id: 126
entity comp index.comp id: ASP

1,51128,103
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 103
entity comp index.auth seq id: 127
entity comp index.comp id: GLU

1,51128,104
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 104
entity comp index.auth seq id: 128
entity comp index.comp id: TYR

1,51128,105
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 105
entity comp index.auth seq id: 129
entity comp index.comp id: ALA

1,51128,106
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 106
entity comp index.auth seq id: 130
entity comp index.comp id: LEU

1,51128,107
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 107
entity comp index.auth seq id: 131
entity comp index.comp id: LEU

1,51128,108
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 108
entity comp index.auth seq id: 132
entity comp index.comp id: PHE

1,51128,109
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 109
entity comp index.auth seq id: 133
entity comp index.comp id: SER

1,51128,110
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 110
entity comp index.auth seq id: 134
entity comp index.comp id: ARG

1,51128,111
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 111
entity comp index.auth seq id: 135
entity comp index.comp id: GLY

1,51128,112
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 112
entity comp index.auth seq id: 136
entity comp index.comp id: THR

1,51128,113
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 113
entity comp index.auth seq id: 137
entity comp index.comp id: LYS

1,51128,114
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 114
entity comp index.auth seq id: 138
entity comp index.comp id: GLY

1,51128,115
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 115
entity comp index.auth seq id: 139
entity comp index.comp id: PRO

1,51128,116
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 116
entity comp index.auth seq id: 140
entity comp index.comp id: GLY

1,51128,117
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 117
entity comp index.auth seq id: 141
entity comp index.comp id: GLN

1,51128,118
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 118
entity comp index.auth seq id: 142
entity comp index.comp id: ASP

1,51128,119
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 119
entity comp index.auth seq id: 143
entity comp index.comp id: PHE

1,51128,120
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 120
entity comp index.auth seq id: 144
entity comp index.comp id: ARG

1,51128,121
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 121
entity comp index.auth seq id: 145
entity comp index.comp id: MET

1,51128,122
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 122
entity comp index.auth seq id: 146
entity comp index.comp id: ALA

1,51128,123
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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entity comp index.id: 123
entity comp index.auth seq id: 147
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1,51128,124
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 124
entity comp index.auth seq id: 148
entity comp index.comp id: LEU

1,51128,125
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 125
entity comp index.auth seq id: 149
entity comp index.comp id: TYR

1,51128,126
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 126
entity comp index.auth seq id: 150
entity comp index.comp id: SER

1,51128,127
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 127
entity comp index.auth seq id: 151
entity comp index.comp id: ARG

1,51128,128
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 128
entity comp index.auth seq id: 152
entity comp index.comp id: THR

1,51128,129
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 129
entity comp index.auth seq id: 153
entity comp index.comp id: GLN

1,51128,130
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 130
entity comp index.auth seq id: 154
entity comp index.comp id: THR

1,51128,131
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 131
entity comp index.auth seq id: 155
entity comp index.comp id: LEU

1,51128,132
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 132
entity comp index.auth seq id: 156
entity comp index.comp id: LYS

1,51128,133
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 133
entity comp index.auth seq id: 157
entity comp index.comp id: ASP

1,51128,134
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 134
entity comp index.auth seq id: 158
entity comp index.comp id: GLU

1,51128,135
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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1,51128,136
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of datablock: info:bmrb/51128
entity comp index.entity id: 1
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entity comp index.auth seq id: 160
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1,51128,137
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 137
entity comp index.auth seq id: 161
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1,51128,138
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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entity comp index.auth seq id: 162
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1,51128,139
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
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entity comp index.auth seq id: 163
entity comp index.comp id: PHE

1,51128,140
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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1,51128,142
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
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entity comp index.auth seq id: 166
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1,51128,143
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
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entity comp index.auth seq id: 167
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1,51128,144
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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1,51128,145
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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1,51128,146
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
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entity comp index.auth seq id: 170
entity comp index.comp id: GLN

1,51128,147
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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entity comp index.auth seq id: 171
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1,51128,148
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
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entity comp index.auth seq id: 172
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1,51128,149
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
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entity comp index.auth seq id: 173
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1,51128,150
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 150
entity comp index.auth seq id: 174
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1,51128,151
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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1,51128,152
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
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entity comp index.auth seq id: 176
entity comp index.comp id: ASP

1,51128,153
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 153
entity comp index.auth seq id: 177
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1,51128,154
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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1,51128,155
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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1,51128,156
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 156
entity comp index.auth seq id: 180
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1,51128,157
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 157
entity comp index.auth seq id: 181
entity comp index.comp id: PRO

1,51128,158
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
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entity comp index.auth seq id: 182
entity comp index.comp id: GLN

1,51128,159
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 159
entity comp index.auth seq id: 183
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1,51128,160
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 160
entity comp index.auth seq id: 184
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1,51128,161
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 161
entity comp index.auth seq id: 185
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1,51128,162
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 162
entity comp index.auth seq id: 186
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1,51128,163
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 163
entity comp index.auth seq id: 187
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1,51128,164
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
entity comp index.entry id: 51128
entity comp index.id: 164
entity comp index.auth seq id: 188
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1,51128,165
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 1
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entity comp index.auth seq id: 189
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2,51128,166
type: entity comp index
of datablock: info:bmrb/51128
entity comp index.entity id: 2
entity comp index.entry id: 51128
entity comp index.id: 166
entity comp index.auth seq id: 1
entity comp index.comp id: PGJ
entity comp index.comp label: chem_comp_PGJ

1,51128,1
type: entity experimental src
of datablock: info:bmrb/51128
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 51128
entity experimental src.id: 1
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 1
entity experimental src.entity label: entity_1
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entity experimental src.host org name common: E. coli
entity experimental src.host org ncbi taxonomy id: 562
entity experimental src.host org scientific name: Escherichia coli
entity experimental src.host org species: coli
entity experimental src.production method: recombinant technology
entity experimental src.vector name: pGEX-2T
entity experimental src.vector type: plasmid

info:taxonomy/562

taxonomy:562

51128,1
type: entity experimental src list
of datablock: info:bmrb/51128
reference to entry: entry
entity experimental src list.entry id: 51128
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source_1

1,51128,1
type: entity natural src
of datablock: info:bmrb/51128
reference to entry: entry
entity natural src.entity natural src list id: 1
entity natural src.entry id: 51128
entity natural src.id: 1
entity natural src.citation id: 0
entity natural src.entity chimera segment id: 0
entity natural src.entity id: 1
entity natural src.entity label: entity_1
entity natural src.genus: Mus
entity natural src.kingdom: Metazoa
entity natural src.ncbi taxonomy id: 10090
entity natural src.organism name common: mouse
entity natural src.organism name scientific: Mus musculus
entity natural src.species: musculus
entity natural src.superkingdom: Eukaryota
entity natural src.type: organism

info:taxonomy/10090

taxonomy:10090

51128,1
type: entity natural src list
of datablock: info:bmrb/51128
reference to entry: entry
entity natural src list.entry id: 51128
entity natural src list.id: 1
entity natural src list.sf category: natural_source
entity natural src list.sf framecode: natural_source_1

1,51128,1
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 1
entity poly seq.comp index id: 1
entity poly seq.mon id: GLN

1,51128,2
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 2
entity poly seq.comp index id: 2
entity poly seq.mon id: GLY

1,51128,3
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 3
entity poly seq.comp index id: 3
entity poly seq.mon id: HIS

1,51128,4
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 4
entity poly seq.comp index id: 4
entity poly seq.mon id: ASP

1,51128,5
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 5
entity poly seq.comp index id: 5
entity poly seq.mon id: THR

1,51128,6
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 6
entity poly seq.comp index id: 6
entity poly seq.mon id: VAL

1,51128,7
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 7
entity poly seq.comp index id: 7
entity poly seq.mon id: GLN

1,51128,8
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 8
entity poly seq.comp index id: 8
entity poly seq.mon id: PRO

1,51128,9
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 9
entity poly seq.comp index id: 9
entity poly seq.mon id: ASN

1,51128,10
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
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entity poly seq.num: 10
entity poly seq.comp index id: 10
entity poly seq.mon id: PHE

1,51128,11
type: entity poly seq
of datablock: info:bmrb/51128
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entity poly seq.num: 11
entity poly seq.comp index id: 11
entity poly seq.mon id: GLN

1,51128,12
type: entity poly seq
of datablock: info:bmrb/51128
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entity poly seq.entry id: 51128
entity poly seq.num: 12
entity poly seq.comp index id: 12
entity poly seq.mon id: GLN

1,51128,13
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 13
entity poly seq.comp index id: 13
entity poly seq.mon id: ASP

1,51128,14
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 14
entity poly seq.comp index id: 14
entity poly seq.mon id: LYS

1,51128,15
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 15
entity poly seq.comp index id: 15
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1,51128,16
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 16
entity poly seq.comp index id: 16
entity poly seq.mon id: LEU

1,51128,17
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 17
entity poly seq.comp index id: 17
entity poly seq.mon id: GLY

1,51128,18
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 18
entity poly seq.comp index id: 18
entity poly seq.mon id: ARG

1,51128,19
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 19
entity poly seq.comp index id: 19
entity poly seq.mon id: TRP

1,51128,20
type: entity poly seq
of datablock: info:bmrb/51128
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entity poly seq.num: 20
entity poly seq.comp index id: 20
entity poly seq.mon id: TYR

1,51128,21
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
entity poly seq.num: 21
entity poly seq.comp index id: 21
entity poly seq.mon id: SER

1,51128,22
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
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entity poly seq.num: 22
entity poly seq.comp index id: 22
entity poly seq.mon id: ALA

1,51128,23
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
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entity poly seq.comp index id: 23
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1,51128,24
type: entity poly seq
of datablock: info:bmrb/51128
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1,51128,25
type: entity poly seq
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1,51128,26
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
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1,51128,27
type: entity poly seq
of datablock: info:bmrb/51128
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1,51128,28
type: entity poly seq
of datablock: info:bmrb/51128
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1,51128,29
type: entity poly seq
of datablock: info:bmrb/51128
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1,51128,30
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1,51128,31
type: entity poly seq
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entity poly seq.num: 31
entity poly seq.comp index id: 31
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1,51128,32
type: entity poly seq
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entity poly seq.num: 32
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1,51128,33
type: entity poly seq
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1,51128,34
type: entity poly seq
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1,51128,35
type: entity poly seq
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1,51128,36
type: entity poly seq
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1,51128,37
type: entity poly seq
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1,51128,38
type: entity poly seq
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1,51128,39
type: entity poly seq
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type: entity poly seq
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1,51128,41
type: entity poly seq
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1,51128,42
type: entity poly seq
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1,51128,43
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of datablock: info:bmrb/51128
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of datablock: info:bmrb/51128
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1,51128,45
type: entity poly seq
of datablock: info:bmrb/51128
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entity poly seq.num: 45
entity poly seq.comp index id: 45
entity poly seq.mon id: VAL

1,51128,46
type: entity poly seq
of datablock: info:bmrb/51128
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entity poly seq.entry id: 51128
entity poly seq.num: 46
entity poly seq.comp index id: 46
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1,51128,47
type: entity poly seq
of datablock: info:bmrb/51128
entity poly seq.entity id: 1
entity poly seq.entry id: 51128
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entity poly seq.comp index id: 47
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1,51128,48
type: entity poly seq
of datablock: info:bmrb/51128
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entity poly seq.comp index id: 48
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type: entity poly seq
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entity poly seq.comp index id: 49
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1,51128,50
type: entity poly seq
of datablock: info:bmrb/51128
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1,51128,152
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1,51128,153
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1,51128,157
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1,51128,158
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1,51128,160
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1,51128,161
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1,51128,162
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1,51128,163
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2,51128,BMRB
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entity systematic name.name: 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE

2,51128,Three letter code
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http://bmrbpub.pdbj.org/rdf/bmr51128/entry/51128
type: entry
of datablock: info:bmrb/51128
entry.id: 51128
entry.accession date: 2021-10-05Z
entry.assigned pdb deposition code: <!DOCTYPE html PUBLIC -//W3C//DTD XHTML 1.0 Strict//EN
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2021-10-05Z
entry.nmr star version: 3.2.14.0
entry.original nmr star version: 3.1
entry.original release date: 2021-10-05Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information_1
entry.submission date: 2021-10-05Z
entry.title: 1H, 13C, and 15N resonance assignment of mouse lipocalin-type prostaglandin D synthase/PGJ2 complex.
entry.type: macromolecule
entry.version type: original

51128,1
type: entry author
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entry author.entry id: 51128
entry author.ordinal: 1
entry author.family name: Shimamoto
entry author.given name: Shigeru
entry author.orcid: 0000-0002-9470-0352
entry author.pdbx name: Shimamoto, S.

info:orcid/0000-0002-9470-0352

orcid:0000-0002-9470-0352

51128,2
type: entry author
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51128,3
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entry author.ordinal: 3
entry author.family name: Hidaka
entry author.given name: Yuji
entry author.pdbx name: Hidaka, Y.

51128,1,1
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51128,1,2
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51128,1,3
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51128,1,4
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51128,1,5
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51128,1,6
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51128,1,7
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51128,1,8
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51128,1,9
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51128,1,10
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51128,1
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51128,1
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51128,2
type: release
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release.release number: 2
release.author: BMRB
release.date: 2022-09-27Z
release.detail: update entry citation
release.submission date: 2021-10-05Z
release.type: update

51128,1
type: release
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release.author: author
release.date: 2022-05-04Z
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51128,1
type: sample
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sample.entry id: 51128
sample.id: 1
sample.aggregate sample number: 3
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sample.crystal grow seeding cit id: 0
sample.name: 15N L-PGDS/PGJ2 complex
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51128,2
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51128,3
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51128,1,1
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sample component.concentration val units: mM
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sample component.entity label: entity_1
sample component.isotopic labeling: [U-99% 15N]
sample component.mol common name: mouse lipocalin-type prostaglandin D synthase

51128,2,1
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sample component.entity label: entity_PGJ
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51128,3,1
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51128,4,2
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51128,5,2
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51128,6,2
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51128,7,3
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51128,8,3
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51128,9,3
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51128,1
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51128,1,ionic strength
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51128,1,pH
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51128,1,pressure
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51128,1,temperature
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51128,1
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51128,2,peak picking
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