info:bmrb/11596
type: datablock
references: doi:10.13018/BMR11596
alternative label: bmr11596
title: Gallium ferredoxin
datablock name: 11596
has assembly category: assemblyCategory
has assigned chem shift list category: assigned chem shift listCategory
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has citation category: citationCategory
has citation author category: citation authorCategory
has citation keyword category: citation keywordCategory
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has nmr spectrometer category: nmr spectrometerCategory
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has nmr spectrometer view category: nmr spectrometer viewCategory
has related entries category: related entriesCategory
has release category: releaseCategory
has sample category: sampleCategory
has sample component category: sample componentCategory
has sample condition list category: sample condition listCategory
has sample condition variable category: sample condition variableCategory
has software category: softwareCategory
has task category: taskCategory
has vendor category: vendorCategory

11596,1
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assembly.paramagnetic: no
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11596,1
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1,11596,7
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1,11596,8
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1,11596,9
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1,11596,10
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1,11596,12
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1,11596,13
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1,11596,14
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1,11596,15
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1,11596,16
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1,11596,17
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1,11596,18
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1,11596,19
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1,11596,20
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1,11596,21
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1,11596,22
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1,11596,23
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1,11596,24
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1,11596,25
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1,11596,26
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1,11596,27
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1,11596,29
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1,11596,30
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1,11596,31
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1,11596,32
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1,11596,33
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1,11596,34
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1,11596,35
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1,11596,75
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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1,11596,76
type: atom chem shift
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atom chem shift.val: 41.572

1,11596,77
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 122.121

1,11596,78
type: atom chem shift
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1,11596,79
type: atom chem shift
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1,11596,80
type: atom chem shift
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1,11596,81
type: atom chem shift
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1,11596,82
type: atom chem shift
of datablock: info:bmrb/11596
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1,11596,83
type: atom chem shift
of datablock: info:bmrb/11596
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1,11596,84
type: atom chem shift
of datablock: info:bmrb/11596
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1,11596,85
type: atom chem shift
of datablock: info:bmrb/11596
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1,11596,86
type: atom chem shift
of datablock: info:bmrb/11596
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1,11596,87
type: atom chem shift
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1,11596,88
type: atom chem shift
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1,11596,89
type: atom chem shift
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1,11596,90
type: atom chem shift
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1,11596,91
type: atom chem shift
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1,11596,92
type: atom chem shift
of datablock: info:bmrb/11596
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1,11596,93
type: atom chem shift
of datablock: info:bmrb/11596
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1,11596,94
type: atom chem shift
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1,11596,95
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1,11596,96
type: atom chem shift
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1,11596,97
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1,11596,98
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1,11596,99
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1,11596,100
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1,11596,101
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1,11596,102
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1,11596,103
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1,11596,104
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1,11596,105
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1,11596,106
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1,11596,107
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1,11596,108
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1,11596,109
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1,11596,110
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1,11596,111
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1,11596,112
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1,11596,113
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1,11596,115
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1,11596,116
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1,11596,118
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1,11596,120
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1,11596,121
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1,11596,122
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1,11596,123
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1,11596,124
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1,11596,125
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1,11596,126
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1,11596,127
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1,11596,128
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1,11596,129
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1,11596,130
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1,11596,131
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1,11596,132
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1,11596,133
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1,11596,134
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1,11596,135
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1,11596,136
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1,11596,140
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1,11596,141
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1,11596,142
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1,11596,148
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1,11596,231
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1,11596,232
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1,11596,234
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1,11596,235
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1,11596,236
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1,11596,237
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1,11596,238
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1,11596,239
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1,11596,240
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1,11596,241
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1,11596,242
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1,11596,243
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1,11596,244
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1,11596,245
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1,11596,246
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1,11596,247
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1,11596,248
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1,11596,249
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1,11596,250
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1,11596,251
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1,11596,252
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1,11596,253
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1,11596,254
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1,11596,255
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1,11596,257
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1,11596,258
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1,11596,259
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1,11596,260
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1,11596,261
type: atom chem shift
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1,11596,262
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1,11596,263
type: atom chem shift
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1,11596,264
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1,11596,265
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atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 44.906

1,11596,343
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
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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: G
atom chem shift.auth seq id: 73
atom chem shift.comp id: GLY
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 104.889

1,11596,344
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
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atom chem shift.auth comp id: F
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atom chem shift.comp id: PHE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 7.794

1,11596,345
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CO
atom chem shift.auth comp id: F
atom chem shift.auth seq id: 74
atom chem shift.comp id: PHE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 74
atom chem shift.val: 175.799

1,11596,346
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 346
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: PHE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
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atom chem shift.val: 60.589

1,11596,347
type: atom chem shift
of datablock: info:bmrb/11596
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: 74
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atom chem shift.val: 39.788

1,11596,348
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: PHE
atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 74
atom chem shift.val: 118.434

1,11596,349
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
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atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: V
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atom chem shift.comp id: VAL
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atom chem shift.entity id: 1
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atom chem shift.val: 8.615

1,11596,350
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
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atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CO
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atom chem shift.comp id: VAL
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 174.237

1,11596,351
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 351
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: CA
atom chem shift.auth comp id: V
atom chem shift.auth seq id: 75
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
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atom chem shift.val: 57.888

1,11596,352
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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atom chem shift.ambiguity code: 1
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atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: V
atom chem shift.auth seq id: 75
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 35.734

1,11596,353
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
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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: V
atom chem shift.auth seq id: 75
atom chem shift.comp id: VAL
atom chem shift.comp index id: 75
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 75
atom chem shift.val: 115.488

1,11596,354
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
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atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: L
atom chem shift.auth seq id: 76
atom chem shift.comp id: LEU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 76
atom chem shift.val: 8.471

1,11596,355
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 355
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LEU
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 76
atom chem shift.val: 175.915

1,11596,356
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 356
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atom chem shift.comp id: LEU
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atom chem shift.val: 54.24

1,11596,357
type: atom chem shift
of datablock: info:bmrb/11596
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: 38.231

1,11596,358
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 358
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
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atom chem shift.auth seq id: 76
atom chem shift.comp id: LEU
atom chem shift.comp index id: 76
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 76
atom chem shift.val: 126.186

1,11596,359
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 359
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: T
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atom chem shift.comp id: THR
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 77
atom chem shift.val: 6.828

1,11596,360
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 360
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CO
atom chem shift.auth comp id: T
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atom chem shift.comp id: THR
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 77
atom chem shift.val: 175.246

1,11596,361
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 361
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
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atom chem shift.auth comp id: T
atom chem shift.auth seq id: 77
atom chem shift.comp id: THR
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 66.055

1,11596,362
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 362
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: T
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atom chem shift.comp id: THR
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 77
atom chem shift.val: 70.008

1,11596,363
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
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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
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atom chem shift.comp id: THR
atom chem shift.comp index id: 77
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atom chem shift.val: 115.427

1,11596,364
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: CYS
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atom chem shift.val: 8.675

1,11596,365
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 173.998

1,11596,366
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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1,11596,367
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: CYS
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atom chem shift.val: 29.706

1,11596,368
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: CYS
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atom chem shift.val: 118.607

1,11596,369
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
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atom chem shift.val: 6.785

1,11596,370
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 370
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: VAL
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atom chem shift.val: 172.425

1,11596,371
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: VAL
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atom chem shift.val: 59.375

1,11596,372
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
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atom chem shift.auth comp id: V
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atom chem shift.comp id: VAL
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 31.451

1,11596,373
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 373
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
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atom chem shift.auth comp id: V
atom chem shift.auth seq id: 79
atom chem shift.comp id: VAL
atom chem shift.comp index id: 79
atom chem shift.entity assembly id: 1
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atom chem shift.val: 112.154

1,11596,374
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
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atom chem shift.val: 6.281

1,11596,375
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 375
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1,11596,376
type: atom chem shift
of datablock: info:bmrb/11596
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1,11596,377
type: atom chem shift
of datablock: info:bmrb/11596
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1,11596,378
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 378
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atom chem shift.comp id: ALA
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1,11596,379
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: TYR
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1,11596,380
type: atom chem shift
of datablock: info:bmrb/11596
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atom chem shift.val: 54.432

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1,11596,382
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1,11596,383
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atom chem shift.comp id: TYR
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: 58.886

1,11596,458
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 458
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: Y
atom chem shift.auth seq id: 97
atom chem shift.comp id: TYR
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: 39.79

1,11596,459
type: atom chem shift
of datablock: info:bmrb/11596
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 11596
atom chem shift.id: 459
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: Y
atom chem shift.auth seq id: 97
atom chem shift.comp id: TYR
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: 123.392

1,11596,1
type: bond
of datablock: info:bmrb/11596
bond.assembly id: 1
bond.entry id: 11596
bond.id: 1
bond.atom id 1: SG
bond.atom id 2: GA
bond.auth atom id 1: SG
bond.auth atom id 2: GA
bond.auth comp id 1: CYS
bond.auth seq id 1: 40
bond.comp id 1: CYS
bond.comp id 2: GA
bond.comp index id 1: 40
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity assembly name 1: gallium ferredoxin
bond.entity assembly name 2: GALLIUM (III) ION
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 40
bond.seq id 2: 1
bond.type: na
bond.value order: sing

1,11596,2
type: bond
of datablock: info:bmrb/11596
bond.assembly id: 1
bond.entry id: 11596
bond.id: 2
bond.atom id 1: SG
bond.atom id 2: GA
bond.auth atom id 1: SG
bond.auth atom id 2: GA
bond.auth comp id 1: CYS
bond.auth seq id 1: 45
bond.comp id 1: CYS
bond.comp id 2: GA
bond.comp index id 1: 45
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity assembly name 1: gallium ferredoxin
bond.entity assembly name 2: GALLIUM (III) ION
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 45
bond.seq id 2: 1
bond.type: na
bond.value order: sing

1,11596,3
type: bond
of datablock: info:bmrb/11596
bond.assembly id: 1
bond.entry id: 11596
bond.id: 3
bond.atom id 1: SG
bond.atom id 2: GA
bond.auth atom id 1: SG
bond.auth atom id 2: GA
bond.auth comp id 1: CYS
bond.auth seq id 1: 48
bond.comp id 1: CYS
bond.comp id 2: GA
bond.comp index id 1: 48
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity assembly name 1: gallium ferredoxin
bond.entity assembly name 2: GALLIUM (III) ION
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 48
bond.seq id 2: 1
bond.type: na
bond.value order: sing

1,11596,4
type: bond
of datablock: info:bmrb/11596
bond.assembly id: 1
bond.entry id: 11596
bond.id: 4
bond.atom id 1: SG
bond.atom id 2: GA
bond.auth atom id 1: SG
bond.auth atom id 2: GA
bond.auth comp id 1: CYS
bond.auth seq id 1: 78
bond.comp id 1: CYS
bond.comp id 2: GA
bond.comp index id 1: 78
bond.comp index id 2: 1
bond.entity assembly id 1: 1
bond.entity assembly id 2: 2
bond.entity assembly name 1: gallium ferredoxin
bond.entity assembly name 2: GALLIUM (III) ION
bond.entity id 1: 1
bond.entity id 2: 2
bond.seq id 1: 78
bond.seq id 2: 1
bond.type: na
bond.value order: sing

11596,GA
type: chem comp
of datablock: info:bmrb/11596
reference to entry: entry
chem comp.entry id: 11596
chem comp.id: GA
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.bmrb code: GA
chem comp.formal charge: 3+
chem comp.formula: Ga
chem comp.formula weight: 69.723
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/Ga/q+3
chem comp.initial date: 2012-11-19Z
chem comp.model coordinates missing flag: no
chem comp.modified date: 2012-11-19Z
chem comp.name: GALLIUM (III) ION
chem comp.number atoms all: 1
chem comp.number atoms nh: 1
chem comp.pdb code: GA
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_GA
chem comp.three letter code: GA
chem comp.type: NON-POLYMER

info:pdb-ccd/GA

pdb-ccd:GA

info:pdb.ligand/GA

pdb.ligand:GA

GA,GA,11596
type: chem comp atom
of datablock: info:bmrb/11596
reference to entry: entry
chem comp atom.atom id: GA
chem comp atom.comp id: GA
chem comp atom.entry id: 11596
chem comp atom.align: 0
chem comp atom.alt atom id: GA
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: GA
chem comp atom.charge: 3
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.000
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: 0.000
chem comp atom.model cartn y ideal: 0.000
chem comp atom.model cartn z: 0.000
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: GA
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: GA

GA,CKHJYUSOUQDYEN-UHFFFAOYSA-N,11596,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/11596
chem comp descriptor.comp id: GA
chem comp descriptor.descriptor: CKHJYUSOUQDYEN-UHFFFAOYSA-N
chem comp descriptor.entry id: 11596
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr11596/chem_comp_descriptor/GA,InChI%3D1S%2FGa%2Fq%2B3,11596,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/11596
chem comp descriptor.comp id: GA
chem comp descriptor.descriptor: InChI=1S/Ga/q+3
chem comp descriptor.entry id: 11596
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

GA,[Ga+3],11596,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/11596
chem comp descriptor.comp id: GA
chem comp descriptor.descriptor: [Ga+3]
chem comp descriptor.entry id: 11596
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

GA,[Ga+3],11596,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/11596
chem comp descriptor.comp id: GA
chem comp descriptor.descriptor: [Ga+3]
chem comp descriptor.entry id: 11596
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

GA,[Ga+3],11596,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/11596
chem comp descriptor.comp id: GA
chem comp descriptor.descriptor: [Ga+3]
chem comp descriptor.entry id: 11596
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

GA,[Ga+3],11596,CACTVS,3.341,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/11596
chem comp descriptor.comp id: GA
chem comp descriptor.descriptor: [Ga+3]
chem comp descriptor.entry id: 11596
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

GA,[Ga+3],11596,OECHEM,1.5.0,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/11596
chem comp descriptor.comp id: GA
chem comp descriptor.descriptor: [Ga+3]
chem comp descriptor.entry id: 11596
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

GA,11596,gallium,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/11596
chem comp identifier.comp id: GA
chem comp identifier.entry id: 11596
chem comp identifier.identifier: gallium
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

GA,11596,gallium(+3) cation,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/11596
chem comp identifier.comp id: GA
chem comp identifier.entry id: 11596
chem comp identifier.identifier: gallium(+3) cation
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

1,11596,1
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 1
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: 1.000
chem shift completeness char.bb chem shift coverage: 0.333
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: 1.000
chem shift completeness char.chem shift coverage: 0.429
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 115960301

1,11596,2
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 2
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: 0.750
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: 0.556
chem shift completeness char.comp id: THR
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.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: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 115960301

1,11596,3
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 3
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.313
chem shift completeness char.comp id: TYR
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: 0.200
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: 115960301

1,11596,4
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 4
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 115960301

1,11596,5
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 5
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: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: VAL
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: 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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 115960301

1,11596,6
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 6
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: 0.750
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: 0.556
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 115960301

1,11596,7
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 7
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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.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: 0.250
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: 115960301

1,11596,8
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 8
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 115960301

1,11596,9
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 9
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: 1.000
chem shift completeness char.chem shift coverage: 0.867
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.800
chem shift completeness char.sf id: 115960301

1,11596,10
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 10
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.250
chem shift completeness char.comp id: PRO
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: 0.333
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: 115960301

1,11596,11
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 11
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: 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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,12
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 12
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: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 115960301

1,11596,13
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 13
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: SER
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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,14
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 14
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: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: GLU
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: 0.500
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: 115960301

1,11596,15
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 15
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: 0.750
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: 0.556
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 115960301

1,11596,16
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 16
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: 0.750
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: 0.556
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 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: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 115960301

1,11596,17
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 17
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
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.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: 0.250
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: 115960301

1,11596,18
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 18
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: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,19
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 19
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: 1.000
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: VAL
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.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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 115960301

1,11596,20
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 20
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.167
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 115960301

1,11596,21
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 21
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: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
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: 115960301

1,11596,22
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 22
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: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,23
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 23
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.333
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: 0.000
chem shift completeness char.chem shift coverage: 0.182
chem shift completeness char.comp id: GLU
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.sc chem shift 13c coverage: 0.500
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: 115960301

1,11596,24
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 24
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.313
chem shift completeness char.comp id: TYR
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.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: 115960301

1,11596,25
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 25
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
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: 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: 0.250
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: 115960301

1,11596,26
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 26
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 0.250
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: 115960301

1,11596,27
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 27
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: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,28
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
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: 0.200
chem shift completeness char.chem shift coverage: 0.364
chem shift completeness char.comp id: VAL
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.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: 115960301

1,11596,29
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 29
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: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
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.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: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 115960301

1,11596,30
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 30
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: 0.167
chem shift completeness char.chem shift coverage: 0.545
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,31
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 31
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: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: GLU
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: 0.500
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: 115960301

1,11596,32
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 32
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: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: GLN
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: 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: 115960301

1,11596,33
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 33
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: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 115960301

1,11596,34
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 34
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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.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: 0.250
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: 115960301

1,11596,35
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 35
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: 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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,36
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 36
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.750
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: 115960301

1,11596,37
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 37
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.250
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 37
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
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: 115960301

1,11596,38
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 38
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.278
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 38
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.077
chem shift completeness char.sf id: 115960301

1,11596,39
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
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: 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: SER
chem shift completeness char.comp index id: 39
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,40
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 40
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: CYS
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: 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: 115960301

1,11596,41
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 41
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: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.100
chem shift completeness char.sf id: 115960301

1,11596,42
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 42
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: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
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.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: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 115960301

1,11596,43
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 43
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: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 115960301

1,11596,44
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 44
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: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
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: 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: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 115960301

1,11596,45
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 45
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: CYS
chem shift completeness char.comp index id: 45
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,46
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 46
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: SER
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.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: 115960301

1,11596,47
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 47
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: 0.750
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: 0.556
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 47
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 115960301

1,11596,48
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
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: 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: CYS
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: 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: 115960301

1,11596,49
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 49
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: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 49
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 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: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 115960301

1,11596,50
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 50
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 115960301

1,11596,51
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 51
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 51
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 115960301

1,11596,52
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
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: 0.500
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: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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.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: 0.250
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: 115960301

1,11596,53
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 53
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
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: 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: 0.250
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: 115960301

1,11596,54
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 54
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.364
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 54
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
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: 115960301

1,11596,55
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 55
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: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 115960301

1,11596,56
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 56
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: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 56
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
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: 115960301

1,11596,57
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: VAL
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.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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 115960301

1,11596,58
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 58
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: ASP
chem shift completeness char.comp index id: 58
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 115960301

1,11596,59
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
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: 0.500
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: 0.125
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: GLN
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: 0.500
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: 115960301

1,11596,60
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 60
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: 60
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: 115960301

1,11596,61
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 61
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: 61
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,62
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 62
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: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: GLN
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: 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: 115960301

1,11596,63
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 63
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: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 115960301

1,11596,64
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 64
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.278
chem shift completeness char.comp id: PHE
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: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.077
chem shift completeness char.sf id: 115960301

1,11596,65
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 65
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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.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: 0.250
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: 115960301

1,11596,66
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 66
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: 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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,67
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 67
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: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,68
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 68
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,69
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 69
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: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 115960301

1,11596,70
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 70
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
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.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: 0.250
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: 115960301

1,11596,71
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 71
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: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: GLU
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.sc chem shift 13c coverage: 0.500
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: 115960301

1,11596,72
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 72
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 72
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 115960301

1,11596,73
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 73
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: 0.333
chem shift completeness char.bb chem shift coverage: 0.667
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: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
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.sf id: 115960301

1,11596,74
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 74
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.278
chem shift completeness char.comp id: PHE
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: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.077
chem shift completeness char.sf id: 115960301

1,11596,75
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 75
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: 1.000
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: VAL
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: 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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 115960301

1,11596,76
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 76
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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.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: 0.250
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: 115960301

1,11596,77
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 77
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: 0.750
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: 0.556
chem shift completeness char.comp id: THR
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: 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: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 115960301

1,11596,78
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 78
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: CYS
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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,79
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.273
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 79
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.167
chem shift completeness char.sf id: 115960301

1,11596,80
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 80
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: 0.333
chem shift completeness char.chem shift coverage: 0.714
chem shift completeness char.comp id: ALA
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.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: 0.000
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 115960301

1,11596,81
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 81
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
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: 0.125
chem shift completeness char.chem shift coverage: 0.250
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: 0.000
chem shift completeness char.sc chem shift coverage: 0.091
chem shift completeness char.sf id: 115960301

1,11596,82
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 82
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.750
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.250
chem shift completeness char.comp id: PRO
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.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.111
chem shift completeness char.sf id: 115960301

1,11596,83
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.111
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: ARG
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: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.100
chem shift completeness char.sf id: 115960301

1,11596,84
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 84
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: 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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,85
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
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: 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: 0.000
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: ASP
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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 115960301

1,11596,86
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 86
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: CYS
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: 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: 115960301

1,11596,87
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 87
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.100
chem shift completeness char.chem shift coverage: 0.294
chem shift completeness char.comp id: LYS
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: 0.250
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.083
chem shift completeness char.sf id: 115960301

1,11596,88
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 88
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: ILE
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.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: 0.250
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: 115960301

1,11596,89
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 89
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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.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: 0.250
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: 115960301

1,11596,90
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 90
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: 0.750
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: 0.556
chem shift completeness char.comp id: THR
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.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: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 115960301

1,11596,91
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
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: 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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: ASN
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.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: 115960301

1,11596,92
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 92
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: 0.750
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: GLN
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: 0.500
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: 115960301

1,11596,93
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 93
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: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 93
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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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: 115960301

1,11596,94
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 94
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: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.455
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 94
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
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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: 115960301

1,11596,95
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 95
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
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: GLU
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: 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: 115960301

1,11596,96
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 96
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: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.357
chem shift completeness char.comp id: LEU
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: 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: 0.250
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: 115960301

1,11596,97
type: chem shift completeness char
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 11596
chem shift completeness char.id: 97
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: 0.500
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.125
chem shift completeness char.chem shift coverage: 0.313
chem shift completeness char.comp id: TYR
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.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: 115960301

1,11596
type: chem shift completeness list
of datablock: info:bmrb/11596
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 11596
chem shift completeness list.arom chem shift 13c fraction: 0/31
chem shift completeness list.arom chem shift 1h fraction: 0/31
chem shift completeness list.arom chem shift fraction: 0/62
chem shift completeness list.assigned residue coverage: 1.000
chem shift completeness list.bb chem shift 13c fraction: 271/285
chem shift completeness list.bb chem shift 15n fraction: 92/93
chem shift completeness list.bb chem shift 1h fraction: 97/196
chem shift completeness list.bb chem shift fraction: 460/574
chem shift completeness list.chem shift 13c fraction: 276/421
chem shift completeness list.chem shift 15n fraction: 92/99
chem shift completeness list.chem shift 1h fraction: 118/551
chem shift completeness list.chem shift fraction: 486/1071
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr11596_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 7/55
chem shift completeness list.methyl chem shift 1h fraction: 5/55
chem shift completeness list.methyl chem shift fraction: 12/110
chem shift completeness list.output file name: bmr11596_chem_shift_completeness.str
chem shift completeness list.queried date: 2020-07-22Z
chem shift completeness list.sc chem shift 13c fraction: 92/227
chem shift completeness list.sc chem shift 15n fraction: 0/6
chem shift completeness list.sc chem shift 1h fraction: 21/355
chem shift completeness list.sc chem shift fraction: 113/588
chem shift completeness list.sf category: chem_shift_completeness_list
chem shift completeness list.sf framecode: chem_shift_completeness_list_1
chem shift completeness list.sf id: 115960301

1,11596,1
type: chem shift experiment
of datablock: info:bmrb/11596
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chem shift experiment.entry id: 11596
chem shift experiment.experiment id: 1
chem shift experiment.experiment name: 3D HNCO
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chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,11596,2
type: chem shift experiment
of datablock: info:bmrb/11596
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chem shift experiment.entry id: 11596
chem shift experiment.experiment id: 2
chem shift experiment.experiment name: 2D 1H-15N HSQC
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,11596,3
type: chem shift experiment
of datablock: info:bmrb/11596
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chem shift experiment.experiment name: 3D HNCA
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chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,11596,4
type: chem shift experiment
of datablock: info:bmrb/11596
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chem shift experiment.experiment id: 4
chem shift experiment.experiment name: 3D HNCACB
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chem shift experiment.sample state: isotropic

1,11596,5
type: chem shift experiment
of datablock: info:bmrb/11596
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chem shift experiment.entry id: 11596
chem shift experiment.experiment id: 5
chem shift experiment.experiment name: 3D CBCA(CO)NH
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

1,11596,6
type: chem shift experiment
of datablock: info:bmrb/11596
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chem shift experiment.entry id: 11596
chem shift experiment.experiment id: 6
chem shift experiment.experiment name: 3D HN(CO)CA
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

13,C,1,11596,DSS
type: chem shift ref
of datablock: info:bmrb/11596
chem shift ref.atom isotope number: 13
chem shift ref.atom type: C
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 11596
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,1,11596,DSS
type: chem shift ref
of datablock: info:bmrb/11596
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chem shift ref.atom type: H
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 11596
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: 1.000000
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: direct

15,N,1,11596,DSS
type: chem shift ref
of datablock: info:bmrb/11596
chem shift ref.atom isotope number: 15
chem shift ref.atom type: N
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 11596
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: 0.1013291
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: na
chem shift ref.ref type: indirect

11596,1
type: chem shift reference
of datablock: info:bmrb/11596
reference to entry: entry
chem shift reference.entry id: 11596
chem shift reference.id: 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chemical_shift_reference_1

11596,1
type: citation
of datablock: info:bmrb/11596
reference to entry: entry
citation.entry id: 11596
citation.id: 1
citation.class: entry citation
citation.doi: 10.1021/acs.biochem.5b00601
citation.journal abbrev: Biochemistry
citation.journal issn: 0006-2960
citation.journal issue: 39
citation.journal name full: Biochemistry
citation.journal volume: 54
citation.page first: 6052
citation.page last: 6061
citation.pubmed id: 26348494
citation.sf category: citations
citation.sf framecode: citation_1
citation.status: published
citation.title: X-ray Structure and Nuclear Magnetic Resonance Analysis of the Interaction Sites of the Ga-Substituted Cyanobacterial Ferredoxin.
citation.type: journal
citation.year: 2015

info:doi/10.1021/acs.biochem.5b00601

doi:10.1021/acs.biochem.5b00601

urn:ISSN:0006-2960

issn:0006-2960

info:pmid/26348494

pubmed:26348494

1,11596,1
type: citation author
of datablock: info:bmrb/11596
citation author.citation id: 1
citation author.entry id: 11596
citation author.ordinal: 1
citation author.family name: Mutoh
citation author.first initial: R.
citation author.given name: Risa
citation author.pdbx name: Mutoh, R.

1,11596,2
type: citation author
of datablock: info:bmrb/11596
citation author.citation id: 1
citation author.entry id: 11596
citation author.ordinal: 2
citation author.family name: Muraki
citation author.first initial: N.
citation author.given name: Norifumi
citation author.pdbx name: Muraki, N.

1,11596,3
type: citation author
of datablock: info:bmrb/11596
citation author.citation id: 1
citation author.entry id: 11596
citation author.ordinal: 3
citation author.family name: Shinmura
citation author.first initial: K.
citation author.given name: Kanako
citation author.pdbx name: Shinmura, K.

1,11596,4
type: citation author
of datablock: info:bmrb/11596
citation author.citation id: 1
citation author.entry id: 11596
citation author.ordinal: 4
citation author.family name: Kubota-Kawai
citation author.first initial: H.
citation author.given name: Hisako
citation author.pdbx name: Kubota-Kawai, H.

1,11596,5
type: citation author
of datablock: info:bmrb/11596
citation author.citation id: 1
citation author.entry id: 11596
citation author.ordinal: 5
citation author.family name: Lee
citation author.first initial: Y.
citation author.given name: Young-Ho
citation author.middle initials: H.
citation author.pdbx name: Lee, Y.H.

1,11596,6
type: citation author
of datablock: info:bmrb/11596
citation author.citation id: 1
citation author.entry id: 11596
citation author.ordinal: 6
citation author.family name: Nowaczyk
citation author.first initial: M.
citation author.given name: Marc
citation author.middle initials: M.
citation author.pdbx name: Nowaczyk, M.M.

1,11596,7
type: citation author
of datablock: info:bmrb/11596
citation author.citation id: 1
citation author.entry id: 11596
citation author.ordinal: 7
citation author.family name: Rogner
citation author.first initial: M.
citation author.given name: Matthias
citation author.pdbx name: Rogner, M.

1,11596,8
type: citation author
of datablock: info:bmrb/11596
citation author.citation id: 1
citation author.entry id: 11596
citation author.ordinal: 8
citation author.family name: Hase
citation author.first initial: T.
citation author.given name: Toshiharu
citation author.pdbx name: Hase, T.

1,11596,9
type: citation author
of datablock: info:bmrb/11596
citation author.citation id: 1
citation author.entry id: 11596
citation author.ordinal: 9
citation author.family name: Ikegami
citation author.first initial: T.
citation author.given name: Takahisa
citation author.pdbx name: Ikegami, T.

1,11596,10
type: citation author
of datablock: info:bmrb/11596
citation author.citation id: 1
citation author.entry id: 11596
citation author.ordinal: 10
citation author.family name: Kurisu
citation author.first initial: G.
citation author.given name: Genji
citation author.pdbx name: Kurisu, G.

1,11596,ferredoxin
type: citation keyword
of datablock: info:bmrb/11596
citation keyword.citation id: 1
citation keyword.entry id: 11596
citation keyword.keyword: ferredoxin

1,11596,galliuim
type: citation keyword
of datablock: info:bmrb/11596
citation keyword.citation id: 1
citation keyword.entry id: 11596
citation keyword.keyword: galliuim

11596,assigned chemical shifts
type: data set
of datablock: info:bmrb/11596
reference to entry: entry
data set.entry id: 11596
data set.type: assigned_chemical_shifts
data set.count: 1

11596,13C chemical shifts
type: datum
of datablock: info:bmrb/11596
reference to entry: entry
datum.entry id: 11596
datum.type: 13C chemical shifts
datum.count: 275

11596,15N chemical shifts
type: datum
of datablock: info:bmrb/11596
reference to entry: entry
datum.entry id: 11596
datum.type: 15N chemical shifts
datum.count: 92

11596,1H chemical shifts
type: datum
of datablock: info:bmrb/11596
reference to entry: entry
datum.entry id: 11596
datum.type: 1H chemical shifts
datum.count: 92

11596,1
type: entity
of datablock: info:bmrb/11596
reference to entry: entry
entity.entry id: 11596
entity.id: 1
entity.ambiguous chem comp sites: yes
entity.ambiguous conformational states: no
entity.formula weight: 10715.70
entity.name: gallium ferredoxin
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.number of monomers: 97
entity.paramagnetic: no
entity.parent entity id: 0
entity.polymer seq one letter code: ATYKVTLVRPDGSETTIDVPEDEYILDVAEEQGLDLPFSCRAGACSTCAGKLLEGEVDQSDQSFLDDDQIEKGFVLTCVAYPRSDCKILTNQEEELY
entity.polymer seq one letter code can: ATYKVTLVRPDGSETTIDVPEDEYILDVAEEQGLDLPFSCRAGACSTCAGKLLEGEVDQSDQSFLDDDQIEKGFVLTCVAYPRSDCKILTNQEEELY
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: gallium_ferredoxin
entity.thiol state: free and other bound
entity.type: polymer

11596,2
type: entity
of datablock: info:bmrb/11596
reference to entry: entry
entity.entry id: 11596
entity.id: 2
entity.bmrb code: GA
entity.formula weight: 69.723
entity.name: GALLIUM (III) ION
entity.nonpolymer comp id: GA
entity.nonpolymer comp label: chem_comp_GA
entity.number of nonpolymer components: 1
entity.parent entity id: 0
entity.polymer seq one letter code can: (GA)
entity.sf category: entity
entity.sf framecode: entity_GA
entity.type: non-polymer

1,11596,1
type: entity assembly
of datablock: info:bmrb/11596
entity assembly.assembly id: 1
entity assembly.entry id: 11596
entity assembly.id: 1
entity assembly.asym id: A
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: gallium ferredoxin
entity assembly.entity id: 1
entity assembly.entity label: gallium_ferredoxin
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,11596,2
type: entity assembly
of datablock: info:bmrb/11596
entity assembly.assembly id: 1
entity assembly.entry id: 11596
entity assembly.id: 2
entity assembly.asym id: B
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: GALLIUM (III) ION
entity assembly.entity id: 2
entity assembly.entity label: entity_GA
entity assembly.experimental data reported: no
entity assembly.physical state: native

2,11596,GALLIUM (III) ION,BMRB
type: entity common name
of datablock: info:bmrb/11596
entity common name.entity id: 2
entity common name.entry id: 11596
entity common name.name: GALLIUM (III) ION
entity common name.type: BMRB

1,11596,1
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 1
entity comp index.auth seq id: 1
entity comp index.comp id: ALA

1,11596,2
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 2
entity comp index.auth seq id: 2
entity comp index.comp id: THR

1,11596,3
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 3
entity comp index.auth seq id: 3
entity comp index.comp id: TYR

1,11596,4
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 4
entity comp index.auth seq id: 4
entity comp index.comp id: LYS

1,11596,5
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 5
entity comp index.auth seq id: 5
entity comp index.comp id: VAL

1,11596,6
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 6
entity comp index.auth seq id: 6
entity comp index.comp id: THR

1,11596,7
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 7
entity comp index.auth seq id: 7
entity comp index.comp id: LEU

1,11596,8
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 8
entity comp index.auth seq id: 8
entity comp index.comp id: VAL

1,11596,9
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 9
entity comp index.auth seq id: 9
entity comp index.comp id: ARG

1,11596,10
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 10
entity comp index.auth seq id: 10
entity comp index.comp id: PRO

1,11596,11
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 11
entity comp index.auth seq id: 11
entity comp index.comp id: ASP

1,11596,12
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 12
entity comp index.auth seq id: 12
entity comp index.comp id: GLY

1,11596,13
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 13
entity comp index.auth seq id: 13
entity comp index.comp id: SER

1,11596,14
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 14
entity comp index.auth seq id: 14
entity comp index.comp id: GLU

1,11596,15
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 15
entity comp index.auth seq id: 15
entity comp index.comp id: THR

1,11596,16
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 16
entity comp index.auth seq id: 16
entity comp index.comp id: THR

1,11596,17
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 17
entity comp index.auth seq id: 17
entity comp index.comp id: ILE

1,11596,18
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 18
entity comp index.auth seq id: 18
entity comp index.comp id: ASP

1,11596,19
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 19
entity comp index.auth seq id: 19
entity comp index.comp id: VAL

1,11596,20
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 20
entity comp index.auth seq id: 20
entity comp index.comp id: PRO

1,11596,21
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 21
entity comp index.auth seq id: 21
entity comp index.comp id: GLU

1,11596,22
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 22
entity comp index.auth seq id: 22
entity comp index.comp id: ASP

1,11596,23
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 23
entity comp index.auth seq id: 23
entity comp index.comp id: GLU

1,11596,24
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 24
entity comp index.auth seq id: 24
entity comp index.comp id: TYR

1,11596,25
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 25
entity comp index.auth seq id: 25
entity comp index.comp id: ILE

1,11596,26
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 26
entity comp index.auth seq id: 26
entity comp index.comp id: LEU

1,11596,27
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 27
entity comp index.auth seq id: 27
entity comp index.comp id: ASP

1,11596,28
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 28
entity comp index.auth seq id: 28
entity comp index.comp id: VAL

1,11596,29
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 29
entity comp index.auth seq id: 29
entity comp index.comp id: ALA

1,11596,30
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 30
entity comp index.auth seq id: 30
entity comp index.comp id: GLU

1,11596,31
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 31
entity comp index.auth seq id: 31
entity comp index.comp id: GLU

1,11596,32
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 32
entity comp index.auth seq id: 32
entity comp index.comp id: GLN

1,11596,33
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 33
entity comp index.auth seq id: 33
entity comp index.comp id: GLY

1,11596,34
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 34
entity comp index.auth seq id: 34
entity comp index.comp id: LEU

1,11596,35
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 35
entity comp index.auth seq id: 35
entity comp index.comp id: ASP

1,11596,36
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 36
entity comp index.auth seq id: 36
entity comp index.comp id: LEU

1,11596,37
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 37
entity comp index.auth seq id: 37
entity comp index.comp id: PRO

1,11596,38
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 38
entity comp index.auth seq id: 38
entity comp index.comp id: PHE

1,11596,39
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 39
entity comp index.auth seq id: 39
entity comp index.comp id: SER

1,11596,40
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 40
entity comp index.auth seq id: 40
entity comp index.comp id: CYS

1,11596,41
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 41
entity comp index.auth seq id: 41
entity comp index.comp id: ARG

1,11596,42
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 42
entity comp index.auth seq id: 42
entity comp index.comp id: ALA

1,11596,43
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 43
entity comp index.auth seq id: 43
entity comp index.comp id: GLY

1,11596,44
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 44
entity comp index.auth seq id: 44
entity comp index.comp id: ALA

1,11596,45
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 45
entity comp index.auth seq id: 45
entity comp index.comp id: CYS

1,11596,46
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 46
entity comp index.auth seq id: 46
entity comp index.comp id: SER

1,11596,47
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 47
entity comp index.auth seq id: 47
entity comp index.comp id: THR

1,11596,48
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 48
entity comp index.auth seq id: 48
entity comp index.comp id: CYS

1,11596,49
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 49
entity comp index.auth seq id: 49
entity comp index.comp id: ALA

1,11596,50
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 50
entity comp index.auth seq id: 50
entity comp index.comp id: GLY

1,11596,51
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 51
entity comp index.auth seq id: 51
entity comp index.comp id: LYS

1,11596,52
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 52
entity comp index.auth seq id: 52
entity comp index.comp id: LEU

1,11596,53
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 53
entity comp index.auth seq id: 53
entity comp index.comp id: LEU

1,11596,54
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 54
entity comp index.auth seq id: 54
entity comp index.comp id: GLU

1,11596,55
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 55
entity comp index.auth seq id: 55
entity comp index.comp id: GLY

1,11596,56
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 56
entity comp index.auth seq id: 56
entity comp index.comp id: GLU

1,11596,57
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 57
entity comp index.auth seq id: 57
entity comp index.comp id: VAL

1,11596,58
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 58
entity comp index.auth seq id: 58
entity comp index.comp id: ASP

1,11596,59
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 59
entity comp index.auth seq id: 59
entity comp index.comp id: GLN

1,11596,60
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 60
entity comp index.auth seq id: 60
entity comp index.comp id: SER

1,11596,61
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 61
entity comp index.auth seq id: 61
entity comp index.comp id: ASP

1,11596,62
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 62
entity comp index.auth seq id: 62
entity comp index.comp id: GLN

1,11596,63
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 63
entity comp index.auth seq id: 63
entity comp index.comp id: SER

1,11596,64
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 64
entity comp index.auth seq id: 64
entity comp index.comp id: PHE

1,11596,65
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 65
entity comp index.auth seq id: 65
entity comp index.comp id: LEU

1,11596,66
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 66
entity comp index.auth seq id: 66
entity comp index.comp id: ASP

1,11596,67
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 67
entity comp index.auth seq id: 67
entity comp index.comp id: ASP

1,11596,68
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 68
entity comp index.auth seq id: 68
entity comp index.comp id: ASP

1,11596,69
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 69
entity comp index.auth seq id: 69
entity comp index.comp id: GLN

1,11596,70
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 70
entity comp index.auth seq id: 70
entity comp index.comp id: ILE

1,11596,71
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 71
entity comp index.auth seq id: 71
entity comp index.comp id: GLU

1,11596,72
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 72
entity comp index.auth seq id: 72
entity comp index.comp id: LYS

1,11596,73
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 73
entity comp index.auth seq id: 73
entity comp index.comp id: GLY

1,11596,74
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 74
entity comp index.auth seq id: 74
entity comp index.comp id: PHE

1,11596,75
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 75
entity comp index.auth seq id: 75
entity comp index.comp id: VAL

1,11596,76
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 76
entity comp index.auth seq id: 76
entity comp index.comp id: LEU

1,11596,77
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 77
entity comp index.auth seq id: 77
entity comp index.comp id: THR

1,11596,78
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 78
entity comp index.auth seq id: 78
entity comp index.comp id: CYS

1,11596,79
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 79
entity comp index.auth seq id: 79
entity comp index.comp id: VAL

1,11596,80
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 80
entity comp index.auth seq id: 80
entity comp index.comp id: ALA

1,11596,81
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 81
entity comp index.auth seq id: 81
entity comp index.comp id: TYR

1,11596,82
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 82
entity comp index.auth seq id: 82
entity comp index.comp id: PRO

1,11596,83
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 83
entity comp index.auth seq id: 83
entity comp index.comp id: ARG

1,11596,84
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 84
entity comp index.auth seq id: 84
entity comp index.comp id: SER

1,11596,85
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 85
entity comp index.auth seq id: 85
entity comp index.comp id: ASP

1,11596,86
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 86
entity comp index.auth seq id: 86
entity comp index.comp id: CYS

1,11596,87
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 87
entity comp index.auth seq id: 87
entity comp index.comp id: LYS

1,11596,88
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 88
entity comp index.auth seq id: 88
entity comp index.comp id: ILE

1,11596,89
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 89
entity comp index.auth seq id: 89
entity comp index.comp id: LEU

1,11596,90
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 90
entity comp index.auth seq id: 90
entity comp index.comp id: THR

1,11596,91
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 91
entity comp index.auth seq id: 91
entity comp index.comp id: ASN

1,11596,92
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 92
entity comp index.auth seq id: 92
entity comp index.comp id: GLN

1,11596,93
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 93
entity comp index.auth seq id: 93
entity comp index.comp id: GLU

1,11596,94
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 94
entity comp index.auth seq id: 94
entity comp index.comp id: GLU

1,11596,95
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 95
entity comp index.auth seq id: 95
entity comp index.comp id: GLU

1,11596,96
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 96
entity comp index.auth seq id: 96
entity comp index.comp id: LEU

1,11596,97
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 1
entity comp index.entry id: 11596
entity comp index.id: 97
entity comp index.auth seq id: 97
entity comp index.comp id: TYR

2,11596,98
type: entity comp index
of datablock: info:bmrb/11596
entity comp index.entity id: 2
entity comp index.entry id: 11596
entity comp index.id: 98
entity comp index.auth seq id: 1
entity comp index.comp id: GA
entity comp index.comp label: chem_comp_GA

1,11596,1
type: entity experimental src
of datablock: info:bmrb/11596
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 11596
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: gallium_ferredoxin
entity experimental src.host org genus: Escherichia
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: pET28a

info:taxonomy/562

taxonomy:562

11596,1
type: entity experimental src list
of datablock: info:bmrb/11596
reference to entry: entry
entity experimental src list.entry id: 11596
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source

1,11596,1
type: entity natural src
of datablock: info:bmrb/11596
reference to entry: entry
entity natural src.entity natural src list id: 1
entity natural src.entry id: 11596
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: gallium_ferredoxin
entity natural src.genus: Escherichia
entity natural src.kingdom: Not applicable
entity natural src.ncbi taxonomy id: 562
entity natural src.organism name common: E. coli
entity natural src.organism name scientific: Escherichia coli
entity natural src.species: coli
entity natural src.superkingdom: Bacteria
entity natural src.type: organism

11596,1
type: entity natural src list
of datablock: info:bmrb/11596
reference to entry: entry
entity natural src list.entry id: 11596
entity natural src list.id: 1
entity natural src list.sf category: natural_source
entity natural src list.sf framecode: natural_source

1,11596,1
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 1
entity poly seq.comp index id: 1
entity poly seq.mon id: ALA

1,11596,2
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 2
entity poly seq.comp index id: 2
entity poly seq.mon id: THR

1,11596,3
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 3
entity poly seq.comp index id: 3
entity poly seq.mon id: TYR

1,11596,4
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 4
entity poly seq.comp index id: 4
entity poly seq.mon id: LYS

1,11596,5
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 5
entity poly seq.comp index id: 5
entity poly seq.mon id: VAL

1,11596,6
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 6
entity poly seq.comp index id: 6
entity poly seq.mon id: THR

1,11596,7
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 7
entity poly seq.comp index id: 7
entity poly seq.mon id: LEU

1,11596,8
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 8
entity poly seq.comp index id: 8
entity poly seq.mon id: VAL

1,11596,9
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 9
entity poly seq.comp index id: 9
entity poly seq.mon id: ARG

1,11596,10
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 10
entity poly seq.comp index id: 10
entity poly seq.mon id: PRO

1,11596,11
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 11
entity poly seq.comp index id: 11
entity poly seq.mon id: ASP

1,11596,12
type: entity poly seq
of datablock: info:bmrb/11596
entity poly seq.entity id: 1
entity poly seq.entry id: 11596
entity poly seq.num: 12
entity poly seq.comp index id: 12
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2,11596,BMRB
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2,11596,Three letter code
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http://bmrbpub.pdbj.org/rdf/bmr11596/entry/11596
type: entry
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entry.id: 11596
entry.accession date: 2015-08-03Z
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2015-08-03Z
entry.nmr star version: 3.2.6.0
entry.original nmr star version: 3.1.1.61
entry.original release date: 2015-08-03Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information
entry.submission date: 2015-08-03Z
entry.title: Gallium ferredoxin
entry.type: macromolecule
entry.version type: original

11596,1
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entry author.family name: Mutoh
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experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

11596,1,5
type: experiment
of datablock: info:bmrb/11596
experiment.entry id: 11596
experiment.experiment list id: 1
experiment.id: 5
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D CBCA(CO)NH
experiment.nmr spectrometer id: 1
experiment.nmr spectrometer label: spectrometer_1
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

11596,1,6
type: experiment
of datablock: info:bmrb/11596
experiment.entry id: 11596
experiment.experiment list id: 1
experiment.id: 6
experiment.chromatographic column id: 0
experiment.chromatographic system id: 0
experiment.emr instrument id: 0
experiment.fluorescence instrument id: 0
experiment.mass spectrometer id: 0
experiment.name: 3D HN(CO)CA
experiment.nmr spectrometer id: 2
experiment.nmr spectrometer label: spectrometer_2
experiment.nmr spectrometer probe id: 0
experiment.raw data flag: no
experiment.sample condition list id: 1
experiment.sample condition list label: sample_conditions_1
experiment.sample id: 1
experiment.sample label: sample_1
experiment.sample state: isotropic

11596,1
type: experiment list
of datablock: info:bmrb/11596
reference to entry: entry
experiment list.entry id: 11596
experiment list.id: 1
experiment list.sf category: experiment_list
experiment list.sf framecode: experiment_list

11596,1
type: nmr spectrometer
of datablock: info:bmrb/11596
reference to entry: entry
nmr spectrometer.entry id: 11596
nmr spectrometer.id: 1
nmr spectrometer.field strength: 600
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: Avance
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: spectrometer_1

11596,2
type: nmr spectrometer
of datablock: info:bmrb/11596
reference to entry: entry
nmr spectrometer.entry id: 11596
nmr spectrometer.id: 2
nmr spectrometer.field strength: 950
nmr spectrometer.manufacturer: Bruker
nmr spectrometer.model: Avance
nmr spectrometer.sf category: NMR_spectrometer
nmr spectrometer.sf framecode: spectrometer_2

11596,1
type: nmr spectrometer list
of datablock: info:bmrb/11596
reference to entry: entry
nmr spectrometer list.entry id: 11596
nmr spectrometer list.id: 1
nmr spectrometer list.sf category: NMR_spectrometer_list
nmr spectrometer list.sf framecode: NMR_spectrometer_list

11596,1,spectrometer 1,1
type: nmr spectrometer view
of datablock: info:bmrb/11596
nmr spectrometer view.entry id: 11596
nmr spectrometer view.id: 1
nmr spectrometer view.name: spectrometer_1
nmr spectrometer view.nmr spectrometer list id: 1
nmr spectrometer view.citation id: 0
nmr spectrometer view.field strength: 600
nmr spectrometer view.manufacturer: Bruker
nmr spectrometer view.model: Avance

11596,2,spectrometer 2,1
type: nmr spectrometer view
of datablock: info:bmrb/11596
nmr spectrometer view.entry id: 11596
nmr spectrometer view.id: 2
nmr spectrometer view.name: spectrometer_2
nmr spectrometer view.nmr spectrometer list id: 1
nmr spectrometer view.citation id: 0
nmr spectrometer view.field strength: 950
nmr spectrometer view.manufacturer: Bruker
nmr spectrometer view.model: Avance

5AUI,PDB,11596
type: related entries
of datablock: info:bmrb/11596
reference to entry: entry
related entries.database accession code: 5AUI
related entries.database name: PDB
related entries.entry id: 11596

info:pdb/5AUI

pdb:5AUI

5AUK,PDB,11596
type: related entries
of datablock: info:bmrb/11596
reference to entry: entry
related entries.database accession code: 5AUK
related entries.database name: PDB
related entries.entry id: 11596

info:pdb/5AUK

pdb:5AUK

11596,2
type: release
of datablock: info:bmrb/11596
reference to entry: entry
release.entry id: 11596
release.release number: 2
release.author: author
release.date: 2020-03-10Z
release.detail: update entry citation
release.submission date: 2015-08-03Z
release.type: update

11596,1
type: release
of datablock: info:bmrb/11596
reference to entry: entry
release.entry id: 11596
release.release number: 1
release.author: author
release.date: 2017-03-07Z
release.detail: original release
release.submission date: 2015-08-03Z
release.type: original

11596,1
type: sample
of datablock: info:bmrb/11596
reference to entry: entry
sample.entry id: 11596
sample.id: 1
sample.crystal grow method cit id: 0
sample.crystal grow seeding cit id: 0
sample.sf category: sample
sample.sf framecode: sample_1
sample.solvent system: 90% H2O/10% D2O
sample.type: solution

11596,1,1
type: sample component
of datablock: info:bmrb/11596
sample component.entry id: 11596
sample component.id: 1
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 0.1
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: gallium_ferredoxin
sample component.isotopic labeling: [U-13C; U-15N]
sample component.mol common name: gallium ferredoxin
sample component.type: protein

11596,2,1
type: sample component
of datablock: info:bmrb/11596
sample component.entry id: 11596
sample component.id: 2
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 20
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium phosphate
sample component.type: buffer

11596,3,1
type: sample component
of datablock: info:bmrb/11596
sample component.entry id: 11596
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 50
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: sodium chloride
sample component.type: salt

11596,4,1
type: sample component
of datablock: info:bmrb/11596
sample component.entry id: 11596
sample component.id: 4
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 90
sample component.concentration val units: %
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: H2O
sample component.type: solvent

11596,5,1
type: sample component
of datablock: info:bmrb/11596
sample component.entry id: 11596
sample component.id: 5
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 10
sample component.concentration val units: %
sample component.entity id: 0
sample component.isotopic labeling: [U-2H]
sample component.mol common name: D2O
sample component.type: solvent

11596,1
type: sample condition list
of datablock: info:bmrb/11596
reference to entry: entry
sample condition list.entry id: 11596
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

11596,1,ionic strength
type: sample condition variable
of datablock: info:bmrb/11596
sample condition variable.entry id: 11596
sample condition variable.sample condition list id: 1
sample condition variable.type: ionic strength
sample condition variable.val: 50
sample condition variable.val units: mM

11596,1,pH
type: sample condition variable
of datablock: info:bmrb/11596
sample condition variable.entry id: 11596
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 6.8
sample condition variable.val units: pH

11596,1,pressure
type: sample condition variable
of datablock: info:bmrb/11596
sample condition variable.entry id: 11596
sample condition variable.sample condition list id: 1
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

11596,1,temperature
type: sample condition variable
of datablock: info:bmrb/11596
sample condition variable.entry id: 11596
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val units: K

11596,1
type: software
of datablock: info:bmrb/11596
reference to entry: entry
software.entry id: 11596
software.id: 1
software.name: SPARKY
software.sf category: software
software.sf framecode: SPARKY

11596,1,chemical shift assignment
type: task
of datablock: info:bmrb/11596
task.entry id: 11596
task.software id: 1
task.task: chemical shift assignment

11596,Goddard,1
type: vendor
of datablock: info:bmrb/11596
vendor.entry id: 11596
vendor.name: Goddard
vendor.software id: 1