info:bmrb/50681
type: datablock
references: doi:10.13018/BMR50681
alternative label: bmr50681
title: 1H, 13C, 15N reduced mitoNEET assignment
datablock name: 50681
has assembly category: assemblyCategory
has assembly bio function category: assembly bio functionCategory
has assigned chem shift list category: assigned chem shift listCategory
has atom chem shift category: atom chem shiftCategory
has chem comp category: chem compCategory
has chem comp atom category: chem comp atomCategory
has chem comp bond category: chem comp bondCategory
has chem comp descriptor category: chem comp descriptorCategory
has chem comp identifier category: chem comp identifierCategory
has chem shift completeness char category: chem shift completeness charCategory
has chem shift completeness list category: chem shift completeness listCategory
has chem shift experiment category: chem shift experimentCategory
has chem shift ref category: chem shift refCategory
has chem shift reference category: chem shift referenceCategory
has chem shift software category: chem shift softwareCategory
has citation category: citationCategory
has citation author category: citation authorCategory
has citation keyword category: citation keywordCategory
has data set category: data setCategory
has datum category: datumCategory
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has entity assembly category: entity assemblyCategory
has entity biological function category: entity biological functionCategory
has entity common name category: entity common nameCategory
has entity comp index category: entity comp indexCategory
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has entity experimental src category: entity experimental srcCategory
has entity experimental src list category: entity experimental src listCategory
has entity natural src category: entity natural srcCategory
has entity natural src list category: entity natural src listCategory
has entity poly seq category: entity poly seqCategory
has entity systematic name category: entity systematic nameCategory
has entry category: entryCategory
has entry author category: entry authorCategory
has experiment category: experimentCategory
has experiment list category: experiment listCategory
has nmr spectrometer category: nmr spectrometerCategory
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

50681,1
type: assembly
of datablock: info:bmrb/50681
reference to entry: entry
assembly.entry id: 50681
assembly.id: 1
assembly.ambiguous conformational states: no
assembly.details: CYS 72, CYS 74, CYS 83, HIS 87 are coordinating the 2FE-2S cluster.
assembly.metal ions: 1
assembly.molecules in chemical exchange: no
assembly.name: [Fe2-S2] mitoNEET
assembly.non standard bonds: no
assembly.number of components: 2
assembly.organic ligands: 0
assembly.paramagnetic: yes
assembly.sf category: assembly
assembly.sf framecode: assembly_1

1,May be involved in Fe-S cluster shuttling and/or in redox reacti,50681
type: assembly bio function
of datablock: info:bmrb/50681
assembly bio function.assembly id: 1
assembly bio function.biological function: May be involved in Fe-S cluster shuttling and/or in redox reactions.
assembly bio function.entry id: 50681

1,Plays a key role in regulating maximal capacity for electron tra,50681
type: assembly bio function
of datablock: info:bmrb/50681
assembly bio function.assembly id: 1
assembly bio function.biological function: Plays a key role in regulating maximal capacity for electron transport and oxidative phosphorylation (By similarity).
assembly bio function.entry id: 50681

50681,1
type: assigned chem shift list
of datablock: info:bmrb/50681
reference to entry: entry
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assigned chem shift list.id: 1
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chem_shift_reference_1
assigned chem shift list.name: chemical shift for the reduced form
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: sample_conditions_1
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: assigned_chemical_shifts_1

1,50681,1
type: atom chem shift
of datablock: info:bmrb/50681
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atom chem shift.comp id: ASP
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atom chem shift.val: 8.009
atom chem shift.val err: 0.020

1,50681,2
type: atom chem shift
of datablock: info:bmrb/50681
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atom chem shift.comp index id: 3
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atom chem shift.seq id: 3
atom chem shift.val: 4.525
atom chem shift.val err: 0.020

1,50681,3
type: atom chem shift
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atom chem shift.id: 3
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atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 3
atom chem shift.val: 2.488
atom chem shift.val err: 0.020

1,50681,4
type: atom chem shift
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atom chem shift.val: 2.716
atom chem shift.val err: 0.020

1,50681,5
type: atom chem shift
of datablock: info:bmrb/50681
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atom chem shift.seq id: 3
atom chem shift.val: 173.024
atom chem shift.val err: 0.3

1,50681,6
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 6
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 3
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atom chem shift.seq id: 3
atom chem shift.val: 49.413
atom chem shift.val err: 0.3

1,50681,7
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 7
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 3
atom chem shift.val: 39.308
atom chem shift.val err: 0.3

1,50681,8
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 8
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 123.410
atom chem shift.val err: 0.3

1,50681,9
type: atom chem shift
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.980
atom chem shift.val err: 0.020

1,50681,10
type: atom chem shift
of datablock: info:bmrb/50681
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atom chem shift.comp index id: 7
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atom chem shift.seq id: 7
atom chem shift.val: 4.083
atom chem shift.val err: 0.020

1,50681,11
type: atom chem shift
of datablock: info:bmrb/50681
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 7
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 7
atom chem shift.val: 1.602
atom chem shift.val err: 0.020

1,50681,12
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 7
atom chem shift.val: 1.602
atom chem shift.val err: 0.020

1,50681,13
type: atom chem shift
of datablock: info:bmrb/50681
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atom chem shift.val: 1.253
atom chem shift.val err: 0.020

1,50681,14
type: atom chem shift
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atom chem shift.val: 1.253
atom chem shift.val err: 0.020

1,50681,15
type: atom chem shift
of datablock: info:bmrb/50681
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atom chem shift.val: 1.549
atom chem shift.val err: 0.020

1,50681,16
type: atom chem shift
of datablock: info:bmrb/50681
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atom chem shift.val: 1.549
atom chem shift.val err: 0.020

1,50681,17
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp index id: 7
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atom chem shift.val: 2.850
atom chem shift.val err: 0.020

1,50681,18
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 18
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1,50681,19
type: atom chem shift
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1,50681,20
type: atom chem shift
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1,50681,21
type: atom chem shift
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1,50681,22
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1,50681,23
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1,50681,24
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1,50681,25
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1,50681,26
type: atom chem shift
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1,50681,27
type: atom chem shift
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1,50681,28
type: atom chem shift
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1,50681,29
type: atom chem shift
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1,50681,30
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1,50681,31
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1,50681,32
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atom chem shift.entry id: 50681
atom chem shift.id: 32
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 8
atom chem shift.comp id: ARG
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 3.027
atom chem shift.val err: 0.020

1,50681,33
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 33
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD3
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 8
atom chem shift.comp id: ARG
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 3.027
atom chem shift.val err: 0.020

1,50681,34
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 34
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: C
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 8
atom chem shift.comp id: ARG
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 172.918
atom chem shift.val err: 0.3

1,50681,35
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 35
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 8
atom chem shift.comp id: ARG
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 53.310
atom chem shift.val err: 0.3

1,50681,36
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 36
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: ARG
atom chem shift.auth seq id: 8
atom chem shift.comp id: ARG
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 27.670
atom chem shift.val err: 0.3

1,50681,37
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 37
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 8
atom chem shift.comp id: ARG
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 24.091
atom chem shift.val err: 0.3

1,50681,38
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 38
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: ARG
atom chem shift.auth seq id: 8
atom chem shift.comp id: ARG
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 40.301
atom chem shift.val err: 0.3

1,50681,39
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 39
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: ARG
atom chem shift.auth seq id: 8
atom chem shift.comp id: ARG
atom chem shift.comp index id: 8
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 8
atom chem shift.val: 120.961
atom chem shift.val err: 0.3

1,50681,40
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 40
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 9
atom chem shift.comp id: PHE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 8.000
atom chem shift.val err: 0.020

1,50681,41
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 41
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 9
atom chem shift.comp id: PHE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 4.458
atom chem shift.val err: 0.020

1,50681,42
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 42
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 9
atom chem shift.comp id: PHE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 2.400
atom chem shift.val err: 0.020

1,50681,43
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 43
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 9
atom chem shift.comp id: PHE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 2.538
atom chem shift.val err: 0.020

1,50681,44
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 44
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: C
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 9
atom chem shift.comp id: PHE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 173.015
atom chem shift.val err: 0.3

1,50681,45
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 45
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 9
atom chem shift.comp id: PHE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 53.134
atom chem shift.val err: 0.3

1,50681,46
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 46
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 9
atom chem shift.comp id: PHE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 36.876
atom chem shift.val err: 0.3

1,50681,47
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 47
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 9
atom chem shift.comp id: PHE
atom chem shift.comp index id: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 120.477
atom chem shift.val err: 0.3

1,50681,48
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 48
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 7.981
atom chem shift.val err: 0.020

1,50681,49
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 49
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 4.164
atom chem shift.val err: 0.020

1,50681,50
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 50
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 1.611
atom chem shift.val err: 0.020

1,50681,51
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 51
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 1.551
atom chem shift.val err: 0.020

1,50681,52
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 52
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 1.551
atom chem shift.val err: 0.020

1,50681,53
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 53
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 1.551
atom chem shift.val err: 0.020

1,50681,54
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 54
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 1.263
atom chem shift.val err: 0.020

1,50681,55
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 55
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 1.263
atom chem shift.val err: 0.020

1,50681,56
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 56
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 1.263
atom chem shift.val err: 0.020

1,50681,57
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 57
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: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 173.488
atom chem shift.val err: 0.3

1,50681,58
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 58
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 53.600
atom chem shift.val err: 0.3

1,50681,59
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 59
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 29.754
atom chem shift.val err: 0.3

1,50681,60
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 60
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 26.188
atom chem shift.val err: 0.3

1,50681,61
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 61
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 21.870
atom chem shift.val err: 0.3

1,50681,62
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 62
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 11
atom chem shift.comp id: VAL
atom chem shift.comp index id: 11
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 11
atom chem shift.val: 121.408
atom chem shift.val err: 0.3

1,50681,63
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 63
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 12
atom chem shift.comp id: LYS
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 8.487
atom chem shift.val err: 0.020

1,50681,64
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 64
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 12
atom chem shift.comp id: LYS
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 4.409
atom chem shift.val err: 0.020

1,50681,65
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 65
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 12
atom chem shift.comp id: LYS
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 2.985
atom chem shift.val err: 0.020

1,50681,66
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 66
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 12
atom chem shift.comp id: LYS
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 2.985
atom chem shift.val err: 0.020

1,50681,67
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 67
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: C
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 12
atom chem shift.comp id: LYS
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 173.035
atom chem shift.val err: 0.3

1,50681,68
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 68
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 12
atom chem shift.comp id: LYS
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 53.864
atom chem shift.val err: 0.3

1,50681,69
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 69
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: LYS
atom chem shift.auth seq id: 12
atom chem shift.comp id: LYS
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 27.356
atom chem shift.val err: 0.3

1,50681,70
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 70
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 12
atom chem shift.comp id: LYS
atom chem shift.comp index id: 12
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 12
atom chem shift.val: 123.340
atom chem shift.val err: 0.3

1,50681,71
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 71
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 13
atom chem shift.comp id: ASP
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 8.172
atom chem shift.val err: 0.020

1,50681,72
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 72
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 13
atom chem shift.comp id: ASP
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 4.185
atom chem shift.val err: 0.020

1,50681,73
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 73
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 13
atom chem shift.comp id: ASP
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 2.558
atom chem shift.val err: 0.020

1,50681,74
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 74
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.atom type: H
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 13
atom chem shift.comp id: ASP
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 2.558
atom chem shift.val err: 0.020

1,50681,75
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 75
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: C
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 13
atom chem shift.comp id: ASP
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 173.455
atom chem shift.val err: 0.3

1,50681,76
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 76
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 13
atom chem shift.comp id: ASP
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 53.653
atom chem shift.val err: 0.3

1,50681,77
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 77
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 13
atom chem shift.comp id: ASP
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 38.103
atom chem shift.val err: 0.3

1,50681,78
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 78
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 13
atom chem shift.comp id: ASP
atom chem shift.comp index id: 13
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 13
atom chem shift.val: 121.290
atom chem shift.val err: 0.3

1,50681,79
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 79
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 16
atom chem shift.comp id: ASN
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 8.314
atom chem shift.val err: 0.020

1,50681,80
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 80
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 16
atom chem shift.comp id: ASN
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 4.527
atom chem shift.val err: 0.020

1,50681,81
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 81
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 16
atom chem shift.comp id: ASN
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 2.708
atom chem shift.val err: 0.020

1,50681,82
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 82
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
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atom chem shift.atom type: H
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atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 16
atom chem shift.comp id: ASN
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 2.662
atom chem shift.val err: 0.020

1,50681,83
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 83
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: C
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 16
atom chem shift.comp id: ASN
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 172.567
atom chem shift.val err: 0.3

1,50681,84
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 84
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 16
atom chem shift.comp id: ASN
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 50.776
atom chem shift.val err: 0.3

1,50681,85
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 85
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: ASN
atom chem shift.auth seq id: 16
atom chem shift.comp id: ASN
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 35.692
atom chem shift.val err: 0.3

1,50681,86
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 86
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 16
atom chem shift.comp id: ASN
atom chem shift.comp index id: 16
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 16
atom chem shift.val: 118.679
atom chem shift.val err: 0.3

1,50681,87
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 87
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 8.110
atom chem shift.val err: 0.020

1,50681,88
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 88
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 4.186
atom chem shift.val err: 0.020

1,50681,89
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 89
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 1.601
atom chem shift.val err: 0.020

1,50681,90
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 90
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 1.731
atom chem shift.val err: 0.020

1,50681,91
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 91
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 1.261
atom chem shift.val err: 0.020

1,50681,92
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 92
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 17
atom chem shift.val: 1.261
atom chem shift.val err: 0.020

1,50681,93
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 93
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HD2
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 1.554
atom chem shift.val err: 0.020

1,50681,94
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 94
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 17
atom chem shift.val: 1.554
atom chem shift.val err: 0.020

1,50681,95
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 95
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 17
atom chem shift.val: 2.846
atom chem shift.val err: 0.020

1,50681,96
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 96
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 17
atom chem shift.val: 2.846
atom chem shift.val err: 0.020

1,50681,97
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 97
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 17
atom chem shift.val: 172.766
atom chem shift.val err: 0.3

1,50681,98
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 98
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atom chem shift.comp id: LYS
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atom chem shift.val: 53.346
atom chem shift.val err: 0.3

1,50681,99
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.comp id: LYS
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atom chem shift.val: 29.729
atom chem shift.val err: 0.3

1,50681,100
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 100
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
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atom chem shift.val: 21.706
atom chem shift.val err: 0.3

1,50681,101
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 26.036
atom chem shift.val err: 0.3

1,50681,102
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 102
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atom chem shift.comp id: LYS
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atom chem shift.val: 38.896
atom chem shift.val err: 0.3

1,50681,103
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 103
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 15
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 17
atom chem shift.comp id: LYS
atom chem shift.comp index id: 17
atom chem shift.entity assembly id: 1
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atom chem shift.val: 121.359
atom chem shift.val err: 0.3

1,50681,104
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 104
atom chem shift.ambiguity code: 1
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atom chem shift.val: 7.951
atom chem shift.val err: 0.020

1,50681,105
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.332
atom chem shift.val err: 0.020

1,50681,106
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.297
atom chem shift.val err: 0.020

1,50681,107
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.297
atom chem shift.val err: 0.020

1,50681,108
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,109
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 174.852
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1,50681,110
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 48.947
atom chem shift.val err: 0.3

1,50681,111
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.3

1,50681,112
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 123.792
atom chem shift.val err: 0.3

1,50681,113
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.864
atom chem shift.val err: 0.020

1,50681,114
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 172.567
atom chem shift.val err: 0.3

1,50681,115
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 54.424
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1,50681,116
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,117
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 118.336
atom chem shift.val err: 0.3

1,50681,118
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,119
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,120
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,121
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,122
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,123
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,124
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,125
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,126
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,127
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,128
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,129
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,130
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,131
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,132
type: atom chem shift
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1,50681,133
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,134
type: atom chem shift
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1,50681,135
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,136
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,137
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1,50681,138
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1,50681,139
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1,50681,140
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 0.732
atom chem shift.val err: 0.020

1,50681,141
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 141
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 0.732
atom chem shift.val err: 0.020

1,50681,142
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 142
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HG23
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 0.732
atom chem shift.val err: 0.020

1,50681,143
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 143
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atom chem shift.atom id: HD11
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atom chem shift.atom type: H
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 0.707
atom chem shift.val err: 0.020

1,50681,144
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 144
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atom chem shift.atom id: HD12
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 0.707
atom chem shift.val err: 0.020

1,50681,145
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 145
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 24
atom chem shift.val: 0.707
atom chem shift.val err: 0.020

1,50681,146
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 172.629
atom chem shift.val err: 0.3

1,50681,147
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 147
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 60.351
atom chem shift.val err: 0.3

1,50681,148
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 148
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 35.818
atom chem shift.val err: 0.3

1,50681,149
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 149
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atom chem shift.atom id: CG1
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 24.276
atom chem shift.val err: 0.3

1,50681,150
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 150
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 14.417
atom chem shift.val err: 0.3

1,50681,151
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 151
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
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atom chem shift.auth seq id: 24
atom chem shift.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 24
atom chem shift.val: 9.683
atom chem shift.val err: 0.3

1,50681,152
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 152
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.comp id: ILE
atom chem shift.comp index id: 24
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 24
atom chem shift.val: 125.005
atom chem shift.val err: 0.3

1,50681,153
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 153
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atom chem shift.comp id: GLN
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 25
atom chem shift.val: 9.086
atom chem shift.val err: 0.020

1,50681,154
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 154
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atom chem shift.comp index id: 25
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 25
atom chem shift.val: 3.856
atom chem shift.val err: 0.020

1,50681,155
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 155
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atom chem shift.comp id: GLN
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 25
atom chem shift.val: 2.315
atom chem shift.val err: 0.020

1,50681,156
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.seq id: 25
atom chem shift.val: 1.873
atom chem shift.val err: 0.020

1,50681,157
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 25
atom chem shift.val: 2.377
atom chem shift.val err: 0.020

1,50681,158
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.val: 2.377
atom chem shift.val err: 0.020

1,50681,159
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.val: 173.595
atom chem shift.val err: 0.3

1,50681,160
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.val: 53.388
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1,50681,161
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 26.192
atom chem shift.val err: 0.3

1,50681,162
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 31.843
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1,50681,163
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.comp id: GLN
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 125.723
atom chem shift.val err: 0.3

1,50681,164
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.542
atom chem shift.val err: 0.020

1,50681,165
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
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atom chem shift.val: 3.856
atom chem shift.val err: 0.020

1,50681,166
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.556
atom chem shift.val err: 0.020

1,50681,167
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,168
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
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atom chem shift.seq id: 26
atom chem shift.val: 1.551
atom chem shift.val err: 0.020

1,50681,169
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 169
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.313
atom chem shift.val err: 0.020

1,50681,170
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.comp id: LYS
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atom chem shift.val: 1.556
atom chem shift.val err: 0.020

1,50681,171
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.val: 1.400
atom chem shift.val err: 0.020

1,50681,172
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 26
atom chem shift.val: 2.850
atom chem shift.val err: 0.020

1,50681,173
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.val: 2.850
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1,50681,174
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.comp id: LYS
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atom chem shift.val: 173.843
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1,50681,175
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.comp id: LYS
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atom chem shift.val: 53.080
atom chem shift.val err: 0.3

1,50681,176
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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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: LYS
atom chem shift.auth seq id: 26
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 26.618
atom chem shift.val err: 0.3

1,50681,177
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 177
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 26
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 21.820
atom chem shift.val err: 0.3

1,50681,178
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 178
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 26
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 22.980
atom chem shift.val err: 0.3

1,50681,179
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 179
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CE
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CE
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 26
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 39.420
atom chem shift.val err: 0.3

1,50681,180
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 180
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 26
atom chem shift.comp id: LYS
atom chem shift.comp index id: 26
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 26
atom chem shift.val: 116.228
atom chem shift.val err: 0.3

1,50681,181
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 181
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 27
atom chem shift.comp id: ASP
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 8.676
atom chem shift.val err: 0.020

1,50681,182
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 182
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 27
atom chem shift.comp id: ASP
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 4.355
atom chem shift.val err: 0.020

1,50681,183
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 183
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 27
atom chem shift.comp id: ASP
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 2.587
atom chem shift.val err: 0.020

1,50681,184
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 184
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 27
atom chem shift.comp id: ASP
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 2.493
atom chem shift.val err: 0.020

1,50681,185
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 185
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: C
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 27
atom chem shift.comp id: ASP
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 172.415
atom chem shift.val err: 0.3

1,50681,186
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 186
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 27
atom chem shift.comp id: ASP
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 50.734
atom chem shift.val err: 0.3

1,50681,187
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 187
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 27
atom chem shift.comp id: ASP
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 36.902
atom chem shift.val err: 0.3

1,50681,188
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 188
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 27
atom chem shift.comp id: ASP
atom chem shift.comp index id: 27
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 27
atom chem shift.val: 116.582
atom chem shift.val err: 0.3

1,50681,189
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 189
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 28
atom chem shift.comp id: ASN
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 7.858
atom chem shift.val err: 0.020

1,50681,190
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 190
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 28
atom chem shift.comp id: ASN
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 4.865
atom chem shift.val err: 0.020

1,50681,191
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 191
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 28
atom chem shift.comp id: ASN
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 3.096
atom chem shift.val err: 0.020

1,50681,192
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 192
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 28
atom chem shift.comp id: ASN
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 2.557
atom chem shift.val err: 0.020

1,50681,193
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 193
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: C
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 28
atom chem shift.comp id: ASN
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 171.539
atom chem shift.val err: 0.3

1,50681,194
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 194
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 28
atom chem shift.comp id: ASN
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 46.836
atom chem shift.val err: 0.3

1,50681,195
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 195
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: ASN
atom chem shift.auth seq id: 28
atom chem shift.comp id: ASN
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 37.008
atom chem shift.val err: 0.3

1,50681,196
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 196
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 28
atom chem shift.comp id: ASN
atom chem shift.comp index id: 28
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 28
atom chem shift.val: 122.551
atom chem shift.val err: 0.3

1,50681,197
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 197
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 7.529
atom chem shift.val err: 0.020

1,50681,198
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 198
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 4.629
atom chem shift.val err: 0.020

1,50681,199
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 199
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 1.744
atom chem shift.val err: 0.020

1,50681,200
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 200
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 0.942
atom chem shift.val err: 0.020

1,50681,201
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 201
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 0.942
atom chem shift.val err: 0.020

1,50681,202
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 202
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 0.942
atom chem shift.val err: 0.020

1,50681,203
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 203
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 0.803
atom chem shift.val err: 0.020

1,50681,204
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 204
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 0.803
atom chem shift.val err: 0.020

1,50681,205
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 205
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 0.803
atom chem shift.val err: 0.020

1,50681,206
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 206
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: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 173.386
atom chem shift.val err: 0.3

1,50681,207
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 207
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 57.245
atom chem shift.val err: 0.3

1,50681,208
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 208
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 32.150
atom chem shift.val err: 0.3

1,50681,209
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 209
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 19.046
atom chem shift.val err: 0.3

1,50681,210
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 210
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 17.871
atom chem shift.val err: 0.3

1,50681,211
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 211
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 32
atom chem shift.comp id: VAL
atom chem shift.comp index id: 32
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 32
atom chem shift.val: 127.043
atom chem shift.val err: 0.3

1,50681,212
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 212
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 33
atom chem shift.comp id: HIS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 7.673
atom chem shift.val err: 0.020

1,50681,213
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 213
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 33
atom chem shift.comp id: HIS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 4.550
atom chem shift.val err: 0.020

1,50681,214
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 214
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 33
atom chem shift.comp id: HIS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 2.705
atom chem shift.val err: 0.020

1,50681,215
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 215
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 33
atom chem shift.comp id: HIS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 2.461
atom chem shift.val err: 0.020

1,50681,216
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 216
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: C
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 33
atom chem shift.comp id: HIS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 169.597
atom chem shift.val err: 0.3

1,50681,217
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 217
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 33
atom chem shift.comp id: HIS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 54.714
atom chem shift.val err: 0.3

1,50681,218
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 218
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 33
atom chem shift.comp id: HIS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 32.075
atom chem shift.val err: 0.3

1,50681,219
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 219
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: HIS
atom chem shift.auth seq id: 33
atom chem shift.comp id: HIS
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 124.760
atom chem shift.val err: 0.3

1,50681,220
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 220
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 34
atom chem shift.comp id: ALA
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 8.048
atom chem shift.val err: 0.020

1,50681,221
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 221
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 34
atom chem shift.comp id: ALA
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 5.550
atom chem shift.val err: 0.020

1,50681,222
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 222
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 34
atom chem shift.comp id: ALA
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 0.943
atom chem shift.val err: 0.020

1,50681,223
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 223
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 34
atom chem shift.comp id: ALA
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 0.943
atom chem shift.val err: 0.020

1,50681,224
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 224
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 34
atom chem shift.comp id: ALA
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 0.943
atom chem shift.val err: 0.020

1,50681,225
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 225
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: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 34
atom chem shift.comp id: ALA
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 172.900
atom chem shift.val err: 0.3

1,50681,226
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 226
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 34
atom chem shift.comp id: ALA
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 47.188
atom chem shift.val err: 0.3

1,50681,227
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 227
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 34
atom chem shift.comp id: ALA
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 18.536
atom chem shift.val err: 0.3

1,50681,228
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 228
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 34
atom chem shift.comp id: ALA
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 123.958
atom chem shift.val err: 0.3

1,50681,229
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 229
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 35
atom chem shift.comp id: PHE
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 8.813
atom chem shift.val err: 0.020

1,50681,230
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 230
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
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atom chem shift.auth atom id: HA
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 35
atom chem shift.comp id: PHE
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 4.594
atom chem shift.val err: 0.020

1,50681,231
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 231
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 35
atom chem shift.comp id: PHE
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 3.027
atom chem shift.val err: 0.020

1,50681,232
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 232
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 35
atom chem shift.comp id: PHE
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 2.490
atom chem shift.val err: 0.020

1,50681,233
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 233
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
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 35
atom chem shift.comp id: PHE
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 171.045
atom chem shift.val err: 0.3

1,50681,234
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 234
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
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atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 35
atom chem shift.comp id: PHE
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 53.873
atom chem shift.val err: 0.3

1,50681,235
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 235
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 35
atom chem shift.comp id: PHE
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 40.517
atom chem shift.val err: 0.3

1,50681,236
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 236
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: PHE
atom chem shift.auth seq id: 35
atom chem shift.comp id: PHE
atom chem shift.comp index id: 35
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 35
atom chem shift.val: 119.975
atom chem shift.val err: 0.3

1,50681,237
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 237
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 36
atom chem shift.comp id: ASP
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 8.743
atom chem shift.val err: 0.020

1,50681,238
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 238
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 36
atom chem shift.comp id: ASP
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 5.471
atom chem shift.val err: 0.020

1,50681,239
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 239
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 36
atom chem shift.comp id: ASP
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 2.650
atom chem shift.val err: 0.020

1,50681,240
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 240
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 36
atom chem shift.comp id: ASP
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 2.484
atom chem shift.val err: 0.020

1,50681,241
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 241
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
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 36
atom chem shift.comp id: ASP
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 175.556
atom chem shift.val err: 0.3

1,50681,242
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 242
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 36
atom chem shift.comp id: ASP
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 49.669
atom chem shift.val err: 0.3

1,50681,243
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 243
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 36
atom chem shift.comp id: ASP
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 37.525
atom chem shift.val err: 0.3

1,50681,244
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 244
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 36
atom chem shift.comp id: ASP
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 121.693
atom chem shift.val err: 0.3

1,50681,245
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 245
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 37
atom chem shift.comp id: MET
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 9.246
atom chem shift.val err: 0.020

1,50681,246
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 246
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: MET
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atom chem shift.comp id: MET
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 3.763
atom chem shift.val err: 0.020

1,50681,247
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 247
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: MET
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atom chem shift.comp id: MET
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 1.916
atom chem shift.val err: 0.020

1,50681,248
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 248
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atom chem shift.comp id: MET
atom chem shift.comp index id: 37
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atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 1.848
atom chem shift.val err: 0.020

1,50681,249
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 249
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 37
atom chem shift.comp id: MET
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 2.359
atom chem shift.val err: 0.020

1,50681,250
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 250
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 37
atom chem shift.comp id: MET
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 2.249
atom chem shift.val err: 0.020

1,50681,251
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 251
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: C
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 37
atom chem shift.comp id: MET
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 174.833
atom chem shift.val err: 0.3

1,50681,252
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 252
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 37
atom chem shift.comp id: MET
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 56.520
atom chem shift.val err: 0.3

1,50681,253
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 253
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 37
atom chem shift.comp id: MET
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 30.288
atom chem shift.val err: 0.3

1,50681,254
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 254
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
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atom chem shift.auth atom id: CG
atom chem shift.auth comp id: MET
atom chem shift.auth seq id: 37
atom chem shift.comp id: MET
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 29.282
atom chem shift.val err: 0.3

1,50681,255
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 255
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 comp id: MET
atom chem shift.auth seq id: 37
atom chem shift.comp id: MET
atom chem shift.comp index id: 37
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 123.829
atom chem shift.val err: 0.3

1,50681,256
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 256
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 38
atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 10.149
atom chem shift.val err: 0.020

1,50681,257
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 257
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 38
atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 3.865
atom chem shift.val err: 0.020

1,50681,258
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 258
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 38
atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 1.952
atom chem shift.val err: 0.020

1,50681,259
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 259
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 38
atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 1.721
atom chem shift.val err: 0.020

1,50681,260
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 260
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 38
atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 2.474
atom chem shift.val err: 0.020

1,50681,261
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 261
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 38
atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 2.208
atom chem shift.val err: 0.020

1,50681,262
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 262
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
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 38
atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 174.369
atom chem shift.val err: 0.3

1,50681,263
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 263
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 38
atom chem shift.val: 57.249
atom chem shift.val err: 0.3

1,50681,264
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 264
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 38
atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 25.765
atom chem shift.val err: 0.3

1,50681,265
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 265
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: GLU
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 35.019
atom chem shift.val err: 0.3

1,50681,266
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 266
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 38
atom chem shift.comp id: GLU
atom chem shift.comp index id: 38
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 118.915
atom chem shift.val err: 0.3

1,50681,267
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 267
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 39
atom chem shift.comp id: ASP
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 7.798
atom chem shift.val err: 0.020

1,50681,268
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 268
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 4.683
atom chem shift.val err: 0.020

1,50681,269
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 269
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 39
atom chem shift.val: 2.902
atom chem shift.val err: 0.020

1,50681,270
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 270
atom chem shift.ambiguity code: 2
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.803
atom chem shift.val err: 0.020

1,50681,271
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 271
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: ASP
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 39
atom chem shift.val: 174.321
atom chem shift.val err: 0.3

1,50681,272
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 272
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 51.571
atom chem shift.val err: 0.3

1,50681,273
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 273
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 38.554
atom chem shift.val err: 0.3

1,50681,274
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 274
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 39
atom chem shift.comp id: ASP
atom chem shift.comp index id: 39
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 39
atom chem shift.val: 116.239
atom chem shift.val err: 0.3

1,50681,275
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 275
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: H
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 7.316
atom chem shift.val err: 0.020

1,50681,276
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 276
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 3.950
atom chem shift.val err: 0.020

1,50681,277
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 277
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 1.641
atom chem shift.val err: 0.020

1,50681,278
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 278
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 40
atom chem shift.val: 1.363
atom chem shift.val err: 0.020

1,50681,279
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 279
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 40
atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 1.801
atom chem shift.val err: 0.020

1,50681,280
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 280
atom chem shift.ambiguity code: 2
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 40
atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 0.719
atom chem shift.val err: 0.020

1,50681,281
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 281
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 0.719
atom chem shift.val err: 0.020

1,50681,282
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 282
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LEU
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 0.719
atom chem shift.val err: 0.020

1,50681,283
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 283
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 0.637
atom chem shift.val err: 0.020

1,50681,284
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 284
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 40
atom chem shift.val: 0.637
atom chem shift.val err: 0.020

1,50681,285
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 285
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD23
atom chem shift.atom isotope number: 1
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 40
atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 0.637
atom chem shift.val err: 0.020

1,50681,286
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 286
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: C
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 40
atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 174.528
atom chem shift.val err: 0.3

1,50681,287
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 287
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 40
atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 53.571
atom chem shift.val err: 0.3

1,50681,288
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 288
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 40
atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 39.282
atom chem shift.val err: 0.3

1,50681,289
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 289
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CG
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 40
atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 24.534
atom chem shift.val err: 0.3

1,50681,290
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 290
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD1
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 40
atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 21.906
atom chem shift.val err: 0.3

1,50681,291
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 291
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
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atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 40
atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 20.801
atom chem shift.val err: 0.3

1,50681,292
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 292
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LEU
atom chem shift.auth seq id: 40
atom chem shift.comp id: LEU
atom chem shift.comp index id: 40
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 40
atom chem shift.val: 120.530
atom chem shift.val err: 0.3

1,50681,293
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 293
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 41
atom chem shift.comp id: GLY
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 7.815
atom chem shift.val err: 0.020

1,50681,294
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 294
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA2
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 41
atom chem shift.comp id: GLY
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 3.961
atom chem shift.val err: 0.020

1,50681,295
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 295
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA3
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 41
atom chem shift.comp id: GLY
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 3.961
atom chem shift.val err: 0.020

1,50681,296
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 296
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: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 41
atom chem shift.comp id: GLY
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 171.044
atom chem shift.val err: 0.3

1,50681,297
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 297
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 41
atom chem shift.comp id: GLY
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 41.734
atom chem shift.val err: 0.3

1,50681,298
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 298
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 41
atom chem shift.comp id: GLY
atom chem shift.comp index id: 41
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 41
atom chem shift.val: 107.129
atom chem shift.val err: 0.3

1,50681,299
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 299
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 42
atom chem shift.comp id: ASP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 8.262
atom chem shift.val err: 0.020

1,50681,300
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 300
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 42
atom chem shift.comp id: ASP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 4.189
atom chem shift.val err: 0.020

1,50681,301
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 301
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 42
atom chem shift.val: 2.454
atom chem shift.val err: 0.020

1,50681,302
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 302
atom chem shift.ambiguity code: 2
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atom chem shift.auth seq id: 42
atom chem shift.comp id: ASP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 2.411
atom chem shift.val err: 0.020

1,50681,303
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 303
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 13
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 173.492
atom chem shift.val err: 0.3

1,50681,304
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 304
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 53.355
atom chem shift.val err: 0.3

1,50681,305
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 305
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 38.107
atom chem shift.val err: 0.3

1,50681,306
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 306
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 42
atom chem shift.comp id: ASP
atom chem shift.comp index id: 42
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 120.126
atom chem shift.val err: 0.3

1,50681,307
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 307
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 7.290
atom chem shift.val err: 0.020

1,50681,308
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 308
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 4.629
atom chem shift.val err: 0.020

1,50681,309
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 309
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 1.418
atom chem shift.val err: 0.020

1,50681,310
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 310
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 1.418
atom chem shift.val err: 0.020

1,50681,311
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 311
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 43
atom chem shift.val: 1.263
atom chem shift.val err: 0.020

1,50681,312
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 312
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 1.263
atom chem shift.val err: 0.020

1,50681,313
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 313
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 1.548
atom chem shift.val err: 0.020

1,50681,314
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 314
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
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atom chem shift.atom type: H
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 1.548
atom chem shift.val err: 0.020

1,50681,315
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 315
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 2.573
atom chem shift.val err: 0.020

1,50681,316
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 316
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE3
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atom chem shift.auth atom id: HE3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 2.573
atom chem shift.val err: 0.020

1,50681,317
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 317
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: C
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 170.701
atom chem shift.val err: 0.3

1,50681,318
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 318
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CA
atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 53.603
atom chem shift.val err: 0.3

1,50681,319
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 319
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
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atom chem shift.auth atom id: CB
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 31.548
atom chem shift.val err: 0.3

1,50681,320
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 320
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: CG
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 21.806
atom chem shift.val err: 0.3

1,50681,321
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 321
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 26.397
atom chem shift.val err: 0.3

1,50681,322
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 322
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CE
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CE
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 38.868
atom chem shift.val err: 0.3

1,50681,323
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 323
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 43
atom chem shift.comp id: LYS
atom chem shift.comp index id: 43
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 116.373
atom chem shift.val err: 0.3

1,50681,324
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 324
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 44
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 8.940
atom chem shift.val err: 0.020

1,50681,325
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 325
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 44
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 4.147
atom chem shift.val err: 0.020

1,50681,326
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 326
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 44
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 0.826
atom chem shift.val err: 0.020

1,50681,327
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 327
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 44
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 0.826
atom chem shift.val err: 0.020

1,50681,328
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 328
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 44
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 0.826
atom chem shift.val err: 0.020

1,50681,329
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 329
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: C
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 44
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 171.035
atom chem shift.val err: 0.3

1,50681,330
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 330
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 44
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 48.402
atom chem shift.val err: 0.3

1,50681,331
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 331
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 44
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 20.159
atom chem shift.val err: 0.3

1,50681,332
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 332
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ALA
atom chem shift.auth seq id: 44
atom chem shift.comp id: ALA
atom chem shift.comp index id: 44
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 129.951
atom chem shift.val err: 0.3

1,50681,333
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 333
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 7.786
atom chem shift.val err: 0.020

1,50681,334
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 334
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 4.000
atom chem shift.val err: 0.020

1,50681,335
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 335
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 1.358
atom chem shift.val err: 0.020

1,50681,336
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 336
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.915
atom chem shift.val err: 0.020

1,50681,337
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 337
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.915
atom chem shift.val err: 0.020

1,50681,338
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 338
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.915
atom chem shift.val err: 0.020

1,50681,339
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 339
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.721
atom chem shift.val err: 0.020

1,50681,340
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 340
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.721
atom chem shift.val err: 0.020

1,50681,341
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 341
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 0.721
atom chem shift.val err: 0.020

1,50681,342
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 342
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: C
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 172.486
atom chem shift.val err: 0.3

1,50681,343
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 343
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 58.109
atom chem shift.val err: 0.3

1,50681,344
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 344
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 26.841
atom chem shift.val err: 0.3

1,50681,345
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 345
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG1
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 17.174
atom chem shift.val err: 0.3

1,50681,346
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 346
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: VAL
atom chem shift.auth seq id: 45
atom chem shift.comp id: VAL
atom chem shift.comp index id: 45
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 45
atom chem shift.val: 120.300
atom chem shift.val err: 0.3

1,50681,347
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 347
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLU
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 7.771
atom chem shift.val err: 0.020

1,50681,348
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 348
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLU
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 3.828
atom chem shift.val err: 0.020

1,50681,349
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 349
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLU
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 1.997
atom chem shift.val err: 0.020

1,50681,350
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 350
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLU
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 1.934
atom chem shift.val err: 0.020

1,50681,351
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 351
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLU
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 2.220
atom chem shift.val err: 0.020

1,50681,352
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 352
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLU
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 2.054
atom chem shift.val err: 0.020

1,50681,353
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 353
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: C
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLU
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 176.013
atom chem shift.val err: 0.3

1,50681,354
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 354
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLU
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 56.409
atom chem shift.val err: 0.3

1,50681,355
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 355
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLU
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 26.849
atom chem shift.val err: 0.3

1,50681,356
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 356
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLU
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 33.282
atom chem shift.val err: 0.3

1,50681,357
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 357
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 67
atom chem shift.comp id: GLU
atom chem shift.comp index id: 67
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 67
atom chem shift.val: 120.868
atom chem shift.val err: 0.3

1,50681,358
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 358
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 8.096
atom chem shift.val err: 0.020

1,50681,359
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 359
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 3.963
atom chem shift.val err: 0.020

1,50681,360
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 360
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 1.983
atom chem shift.val err: 0.020

1,50681,361
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 361
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 1.830
atom chem shift.val err: 0.020

1,50681,362
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 362
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 2.379
atom chem shift.val err: 0.020

1,50681,363
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 363
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG3
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 2.150
atom chem shift.val err: 0.020

1,50681,364
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 364
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: C
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 175.692
atom chem shift.val err: 0.3

1,50681,365
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 365
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 55.895
atom chem shift.val err: 0.3

1,50681,366
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 366
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 27.326
atom chem shift.val err: 0.3

1,50681,367
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 367
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 33.918
atom chem shift.val err: 0.3

1,50681,368
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 368
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 68
atom chem shift.comp id: GLU
atom chem shift.comp index id: 68
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 68
atom chem shift.val: 116.553
atom chem shift.val err: 0.3

1,50681,369
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 369
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 69
atom chem shift.comp id: THR
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 7.605
atom chem shift.val err: 0.020

1,50681,370
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 370
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 69
atom chem shift.comp id: THR
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 4.219
atom chem shift.val err: 0.020

1,50681,371
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 371
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 69
atom chem shift.comp id: THR
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 3.738
atom chem shift.val err: 0.020

1,50681,372
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 372
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 69
atom chem shift.comp id: THR
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 0.904
atom chem shift.val err: 0.020

1,50681,373
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 373
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 69
atom chem shift.comp id: THR
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 0.904
atom chem shift.val err: 0.020

1,50681,374
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 374
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 69
atom chem shift.comp id: THR
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 0.904
atom chem shift.val err: 0.020

1,50681,375
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 375
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: C
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 69
atom chem shift.comp id: THR
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 172.503
atom chem shift.val err: 0.3

1,50681,376
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 376
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: THR
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atom chem shift.comp id: THR
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 59.598
atom chem shift.val err: 0.3

1,50681,377
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 377
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CB
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 69
atom chem shift.comp id: THR
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 69.278
atom chem shift.val err: 0.3

1,50681,378
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 378
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 69
atom chem shift.comp id: THR
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 18.626
atom chem shift.val err: 0.3

1,50681,379
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 379
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: THR
atom chem shift.auth seq id: 69
atom chem shift.comp id: THR
atom chem shift.comp index id: 69
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 69
atom chem shift.val: 104.693
atom chem shift.val err: 0.3

1,50681,380
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 380
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 70
atom chem shift.comp id: GLY
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 7.759
atom chem shift.val err: 0.020

1,50681,381
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 381
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA2
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 3.863
atom chem shift.val err: 0.020

1,50681,382
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 382
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA3
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atom chem shift.comp id: GLY
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 3.863
atom chem shift.val err: 0.020

1,50681,383
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 383
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: C
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 70
atom chem shift.comp id: GLY
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 171.310
atom chem shift.val err: 0.3

1,50681,384
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 384
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
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atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 70
atom chem shift.comp id: GLY
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 42.328
atom chem shift.val err: 0.3

1,50681,385
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 385
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: GLY
atom chem shift.auth seq id: 70
atom chem shift.comp id: GLY
atom chem shift.comp index id: 70
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 70
atom chem shift.val: 110.688
atom chem shift.val err: 0.3

1,50681,386
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 386
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 71
atom chem shift.comp id: ASP
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 7.123
atom chem shift.val err: 0.020

1,50681,387
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 387
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 71
atom chem shift.comp id: ASP
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 4.377
atom chem shift.val err: 0.020

1,50681,388
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 388
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 71
atom chem shift.comp id: ASP
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 2.713
atom chem shift.val err: 0.020

1,50681,389
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 389
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASP
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 2.713
atom chem shift.val err: 0.020

1,50681,390
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 390
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
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atom chem shift.auth comp id: ASP
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 170.549
atom chem shift.val err: 0.3

1,50681,391
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 391
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 71
atom chem shift.comp id: ASP
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 50.196
atom chem shift.val err: 0.3

1,50681,392
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 392
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
atom chem shift.auth atom id: CB
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 71
atom chem shift.comp id: ASP
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 39.303
atom chem shift.val err: 0.3

1,50681,393
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 393
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASP
atom chem shift.auth seq id: 71
atom chem shift.comp id: ASP
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 120.469
atom chem shift.val err: 0.3

1,50681,394
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 394
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 9.032
atom chem shift.val err: 0.020

1,50681,395
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 395
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 4.765
atom chem shift.val err: 0.020

1,50681,396
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 396
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 2.485
atom chem shift.val err: 0.020

1,50681,397
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 397
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 2.717
atom chem shift.val err: 0.020

1,50681,398
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 398
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 48.784
atom chem shift.val err: 0.3

1,50681,399
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.comp id: ASN
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 39.358
atom chem shift.val err: 0.3

1,50681,400
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 400
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: ASN
atom chem shift.auth seq id: 72
atom chem shift.comp id: ASN
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 118.532
atom chem shift.val err: 0.3

1,50681,401
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 401
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: H
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atom chem shift.auth comp id: ILE
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atom chem shift.comp id: ILE
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: 9.378
atom chem shift.val err: 0.020

1,50681,402
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 402
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 77
atom chem shift.val: 4.580
atom chem shift.val err: 0.020

1,50681,403
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 403
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atom chem shift.auth comp id: ILE
atom chem shift.auth seq id: 77
atom chem shift.comp id: ILE
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: 1.528
atom chem shift.val err: 0.020

1,50681,404
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 404
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atom chem shift.comp id: ILE
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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: 0.770
atom chem shift.val err: 0.020

1,50681,405
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 405
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: ILE
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: 1.293
atom chem shift.val err: 0.020

1,50681,406
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 406
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atom chem shift.comp id: ILE
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: 0.588
atom chem shift.val err: 0.020

1,50681,407
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.588
atom chem shift.val err: 0.020

1,50681,408
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 408
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: ILE
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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: 0.588
atom chem shift.val err: 0.020

1,50681,409
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.comp id: ILE
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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: 0.643
atom chem shift.val err: 0.020

1,50681,410
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 410
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.643
atom chem shift.val err: 0.020

1,50681,411
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.val: 0.643
atom chem shift.val err: 0.020

1,50681,412
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.val: 171.575
atom chem shift.val err: 0.3

1,50681,413
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 57.809
atom chem shift.val err: 0.3

1,50681,414
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.val: 37.417
atom chem shift.val err: 0.3

1,50681,415
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.val: 26.089
atom chem shift.val err: 0.3

1,50681,416
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 14.517
atom chem shift.val err: 0.3

1,50681,417
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 11.390
atom chem shift.val err: 0.3

1,50681,418
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 418
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: ILE
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atom chem shift.comp id: ILE
atom chem shift.comp index id: 77
atom chem shift.entity assembly id: 1
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atom chem shift.val: 127.924
atom chem shift.val err: 0.3

1,50681,419
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.598
atom chem shift.val err: 0.020

1,50681,420
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 4.979
atom chem shift.val err: 0.020

1,50681,421
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.916
atom chem shift.val err: 0.020

1,50681,422
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.val: 1.375
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1,50681,423
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.val: 1.186
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1,50681,424
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,425
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,426
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,427
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,428
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,429
type: atom chem shift
of datablock: info:bmrb/50681
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 78
atom chem shift.val: 0.602
atom chem shift.val err: 0.020

1,50681,430
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.comp index id: 78
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 78
atom chem shift.val: 171.966
atom chem shift.val err: 0.3

1,50681,431
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 78
atom chem shift.val: 54.994
atom chem shift.val err: 0.3

1,50681,432
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 34.554
atom chem shift.val err: 0.3

1,50681,433
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 23.683
atom chem shift.val err: 0.3

1,50681,434
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 15.192
atom chem shift.val err: 0.3

1,50681,435
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.534
atom chem shift.val err: 0.3

1,50681,436
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.comp id: ILE
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 127.309
atom chem shift.val err: 0.3

1,50681,437
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.752
atom chem shift.val err: 0.020

1,50681,438
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.142
atom chem shift.val err: 0.020

1,50681,439
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.952
atom chem shift.val err: 0.020

1,50681,440
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,441
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.132
atom chem shift.val err: 0.020

1,50681,442
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,443
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,444
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,445
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.580
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1,50681,446
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,447
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,448
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,449
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,450
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,451
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,452
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,453
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,454
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,455
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,456
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,457
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,458
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,459
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
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1,50681,460
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,461
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,462
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,463
type: atom chem shift
of datablock: info:bmrb/50681
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1,50681,464
type: atom chem shift
of datablock: info:bmrb/50681
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atom chem shift.val err: 0.3

1,50681,465
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 465
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 80
atom chem shift.comp id: LYS
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 53.033
atom chem shift.val err: 0.3

1,50681,466
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 466
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: LYS
atom chem shift.auth seq id: 80
atom chem shift.comp id: LYS
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 30.942
atom chem shift.val err: 0.3

1,50681,467
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 467
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 80
atom chem shift.comp id: LYS
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 21.814
atom chem shift.val err: 0.3

1,50681,468
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 468
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CD
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 80
atom chem shift.comp id: LYS
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 26.343
atom chem shift.val err: 0.3

1,50681,469
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 469
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CE
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CE
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 80
atom chem shift.comp id: LYS
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 39.211
atom chem shift.val err: 0.3

1,50681,470
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 470
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 80
atom chem shift.comp id: LYS
atom chem shift.comp index id: 80
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 80
atom chem shift.val: 120.850
atom chem shift.val err: 0.3

1,50681,471
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 471
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 9.684
atom chem shift.val err: 0.020

1,50681,472
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 472
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 3.848
atom chem shift.val err: 0.020

1,50681,473
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 473
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 1.626
atom chem shift.val err: 0.020

1,50681,474
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 474
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 1.493
atom chem shift.val err: 0.020

1,50681,475
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 475
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 1.310
atom chem shift.val err: 0.020

1,50681,476
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 476
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 1.310
atom chem shift.val err: 0.020

1,50681,477
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 477
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 1.579
atom chem shift.val err: 0.020

1,50681,478
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 478
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HD3
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 1.499
atom chem shift.val err: 0.020

1,50681,479
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 479
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HE2
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 2.853
atom chem shift.val err: 0.020

1,50681,480
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 480
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HE3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 2.853
atom chem shift.val err: 0.020

1,50681,481
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 481
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: C
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 174.396
atom chem shift.val err: 0.3

1,50681,482
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 482
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 55.075
atom chem shift.val err: 0.3

1,50681,483
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 483
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 29.229
atom chem shift.val err: 0.3

1,50681,484
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 484
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LYS
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 21.202
atom chem shift.val err: 0.3

1,50681,485
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 485
atom chem shift.ambiguity code: 1
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atom chem shift.auth atom id: CD
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 26.191
atom chem shift.val err: 0.3

1,50681,486
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 486
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 38.459
atom chem shift.val err: 0.3

1,50681,487
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 487
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N
atom chem shift.auth comp id: LYS
atom chem shift.auth seq id: 81
atom chem shift.comp id: LYS
atom chem shift.comp index id: 81
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 81
atom chem shift.val: 126.629
atom chem shift.val err: 0.3

1,50681,488
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 488
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
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atom chem shift.auth comp id: GLU
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 8.580
atom chem shift.val err: 0.020

1,50681,489
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 489
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 82
atom chem shift.comp id: GLU
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 4.183
atom chem shift.val err: 0.020

1,50681,490
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 490
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: H
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 82
atom chem shift.comp id: GLU
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 1.969
atom chem shift.val err: 0.020

1,50681,491
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 491
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.auth comp id: GLU
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 82
atom chem shift.val: 1.814
atom chem shift.val err: 0.020

1,50681,492
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 492
atom chem shift.ambiguity code: 1
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atom chem shift.auth comp id: GLU
atom chem shift.auth seq id: 82
atom chem shift.comp id: GLU
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 2.154
atom chem shift.val err: 0.020

1,50681,493
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 493
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 2.154
atom chem shift.val err: 0.020

1,50681,494
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 494
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 82
atom chem shift.val: 172.977
atom chem shift.val err: 0.3

1,50681,495
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 495
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 53.879
atom chem shift.val err: 0.3

1,50681,496
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 496
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 82
atom chem shift.val: 27.184
atom chem shift.val err: 0.3

1,50681,497
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 497
atom chem shift.ambiguity code: 1
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atom chem shift.auth seq id: 82
atom chem shift.comp id: GLU
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 33.574
atom chem shift.val err: 0.3

1,50681,498
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 498
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 comp id: GLU
atom chem shift.auth seq id: 82
atom chem shift.comp id: GLU
atom chem shift.comp index id: 82
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 82
atom chem shift.val: 122.958
atom chem shift.val err: 0.3

1,50681,499
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 499
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atom chem shift.comp id: THR
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 83
atom chem shift.val: 7.689
atom chem shift.val err: 0.020

1,50681,500
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 500
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atom chem shift.auth seq id: 83
atom chem shift.comp id: THR
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 4.018
atom chem shift.val err: 0.020

1,50681,501
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 501
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HB
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 83
atom chem shift.comp id: THR
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 4.110
atom chem shift.val err: 0.020

1,50681,502
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 502
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 83
atom chem shift.comp id: THR
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 1.015
atom chem shift.val err: 0.020

1,50681,503
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 503
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 83
atom chem shift.comp id: THR
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 1.015
atom chem shift.val err: 0.020

1,50681,504
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 504
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: HG2
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 83
atom chem shift.comp id: THR
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 1.015
atom chem shift.val err: 0.020

1,50681,505
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 505
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: C
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 83
atom chem shift.comp id: THR
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 176.410
atom chem shift.val err: 0.3

1,50681,506
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 506
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CA
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CA
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 83
atom chem shift.comp id: THR
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 60.342
atom chem shift.val err: 0.3

1,50681,507
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 507
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: THR
atom chem shift.auth seq id: 83
atom chem shift.comp id: THR
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 67.972
atom chem shift.val err: 0.3

1,50681,508
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 508
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: CG2
atom chem shift.auth comp id: THR
atom chem shift.auth seq id: 83
atom chem shift.comp id: THR
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 19.234
atom chem shift.val err: 0.3

1,50681,509
type: atom chem shift
of datablock: info:bmrb/50681
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 50681
atom chem shift.id: 509
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: THR
atom chem shift.auth seq id: 83
atom chem shift.comp id: THR
atom chem shift.comp index id: 83
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 83
atom chem shift.val: 120.295
atom chem shift.val err: 0.3

50681,FES
type: chem comp
of datablock: info:bmrb/50681
reference to entry: entry
chem comp.entry id: 50681
chem comp.id: FES
chem comp.ambiguous flag: no
chem comp.aromatic: no
chem comp.bmrb code: FES
chem comp.formal charge: 0
chem comp.formula: Fe2 S2
chem comp.formula weight: 175.820
chem comp.ideal coordinates missing flag: no
chem comp.inchi code: InChI=1S/2Fe.2S
chem comp.initial date: 2020-07-09Z
chem comp.model coordinates db code: 1CZP
chem comp.model coordinates missing flag: no
chem comp.modified date: 2020-07-09Z
chem comp.mon nstd flag: no
chem comp.name: FE2/S2 (INORGANIC) CLUSTER
chem comp.number atoms all: 4
chem comp.number atoms nh: 4
chem comp.paramagnetic: yes
chem comp.pdb code: FES
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_FES
chem comp.three letter code: FES
chem comp.type: NON-POLYMER

info:pdb-ccd/FES

pdb-ccd:FES

info:pdb.ligand/FES

pdb.ligand:FES

FE1,FES,50681
type: chem comp atom
of datablock: info:bmrb/50681
reference to entry: entry
chem comp atom.atom id: FE1
chem comp atom.comp id: FES
chem comp atom.entry id: 50681
chem comp atom.align: 0
chem comp atom.alt atom id: FE1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: FE1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.237
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: 5.409
chem comp atom.model cartn y ideal: -0.213
chem comp atom.model cartn z: 27.398
chem comp atom.model cartn z ideal: -1.531
chem comp atom.pdb atom id: FE1
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: FE

FE2,FES,50681
type: chem comp atom
of datablock: info:bmrb/50681
reference to entry: entry
chem comp atom.atom id: FE2
chem comp atom.comp id: FES
chem comp atom.entry id: 50681
chem comp atom.align: 0
chem comp atom.alt atom id: FE2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: FE2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 16.361
chem comp atom.model cartn x ideal: 0.000
chem comp atom.model cartn y: 2.666
chem comp atom.model cartn y ideal: -0.213
chem comp atom.model cartn z: 27.488
chem comp atom.model cartn z ideal: 1.531
chem comp atom.pdb atom id: FE2
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: FE

S1,FES,50681
type: chem comp atom
of datablock: info:bmrb/50681
reference to entry: entry
chem comp atom.atom id: S1
chem comp atom.comp id: FES
chem comp atom.entry id: 50681
chem comp atom.align: 1
chem comp atom.alt atom id: S1
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: S1
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 17.422
chem comp atom.model cartn x ideal: 1.461
chem comp atom.model cartn y: 4.079
chem comp atom.model cartn y ideal: 0.372
chem comp atom.model cartn z: 28.829
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: S1
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: S

S2,FES,50681
type: chem comp atom
of datablock: info:bmrb/50681
reference to entry: entry
chem comp atom.atom id: S2
chem comp atom.comp id: FES
chem comp atom.entry id: 50681
chem comp atom.align: 1
chem comp atom.alt atom id: S2
chem comp atom.aromatic flag: no
chem comp atom.bmrb code: S2
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 15.380
chem comp atom.model cartn x ideal: -1.461
chem comp atom.model cartn y: 3.919
chem comp atom.model cartn y ideal: 0.372
chem comp atom.model cartn z: 25.972
chem comp atom.model cartn z ideal: 0.000
chem comp atom.pdb atom id: S2
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: S

FES,50681,1
type: chem comp bond
of datablock: info:bmrb/50681
chem comp bond.comp id: FES
chem comp bond.entry id: 50681
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE1
chem comp bond.atom id 2: S1
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

FES,50681,2
type: chem comp bond
of datablock: info:bmrb/50681
chem comp bond.comp id: FES
chem comp bond.entry id: 50681
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE1
chem comp bond.atom id 2: S2
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

FES,50681,3
type: chem comp bond
of datablock: info:bmrb/50681
chem comp bond.comp id: FES
chem comp bond.entry id: 50681
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE2
chem comp bond.atom id 2: S1
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

FES,50681,4
type: chem comp bond
of datablock: info:bmrb/50681
chem comp bond.comp id: FES
chem comp bond.entry id: 50681
chem comp bond.id: 4
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE2
chem comp bond.atom id 2: S2
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

http://bmrbpub.pdbj.org/rdf/bmr50681/chem_comp_descriptor/FES,InChI%3D1S%2F2Fe.2S,50681,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/50681
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: InChI=1S/2Fe.2S
chem comp descriptor.entry id: 50681
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

FES,NIXDOXVAJZFRNF-UHFFFAOYSA-N,50681,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/50681
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: NIXDOXVAJZFRNF-UHFFFAOYSA-N
chem comp descriptor.entry id: 50681
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

FES,S1[Fe]S[Fe]1,50681,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/50681
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: S1[Fe]S[Fe]1
chem comp descriptor.entry id: 50681
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

FES,S1[Fe]S[Fe]1,50681,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/50681
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: S1[Fe]S[Fe]1
chem comp descriptor.entry id: 50681
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

FES,S1[Fe]S[Fe]1,50681,CACTVS,3.341,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/50681
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: S1[Fe]S[Fe]1
chem comp descriptor.entry id: 50681
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

FES,S1[Fe]S[Fe]1,50681,OECHEM,1.5.0,SMILES CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/50681
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: S1[Fe]S[Fe]1
chem comp descriptor.entry id: 50681
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

FES,[Fe]1S[Fe]S1,50681,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/50681
chem comp descriptor.comp id: FES
chem comp descriptor.descriptor: [Fe]1S[Fe]S1
chem comp descriptor.entry id: 50681
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

FES,50681,1,3-dithia-2$l {2},4$l {2}-diferracyclobutane,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/50681
chem comp identifier.comp id: FES
chem comp identifier.entry id: 50681
chem comp identifier.identifier: 1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

FES,50681,di-mu-sulfidediiron,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/50681
chem comp identifier.comp id: FES
chem comp identifier.entry id: 50681
chem comp identifier.identifier: di-mu-sulfidediiron
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

1,50681,1
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 506810301

1,50681,2
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 2
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 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: 0.000
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: 506810301

1,50681,3
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 3
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: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,4
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 4
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 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: 0.000
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: 506810301

1,50681,5
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 5
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PHE
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.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: 506810301

1,50681,6
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 506810301

1,50681,7
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 0.000
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: 0.200
chem shift completeness char.chem shift coverage: 0.529
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.250
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 506810301

1,50681,8
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 8
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.889
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.857
chem shift completeness char.sc chem shift coverage: 0.818
chem shift completeness char.sf id: 506810301

1,50681,9
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 9
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.444
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 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: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.231
chem shift completeness char.sf id: 506810301

1,50681,10
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 10
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 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: 0.000
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: 506810301

1,50681,11
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,12
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,13
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,14
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 14
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 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: 0.000
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: 506810301

1,50681,15
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 15
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 506810301

1,50681,16
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 506810301

1,50681,17
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 506810301

1,50681,18
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: ALA
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,19
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: 0.143
chem shift completeness char.chem shift coverage: 0.385
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.125
chem shift completeness char.sf id: 506810301

1,50681,20
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 20
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,21
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 21
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 506810301

1,50681,22
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.143
chem shift completeness char.chem shift coverage: 0.429
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.500
chem shift completeness char.methyl chem shift coverage: 0.250
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.200
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 506810301

1,50681,23
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 23
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 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: 0.000
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: 506810301

1,50681,24
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 24
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: ILE
chem shift completeness char.comp index id: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,25
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 506810301

1,50681,26
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,27
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,28
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 28
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 506810301

1,50681,29
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 29
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 506810301

1,50681,30
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
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: 506810301

1,50681,31
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 31
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 506810301

1,50681,32
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,33
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 33
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 33
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 506810301

1,50681,34
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 34
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
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: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,35
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 35
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.444
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 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: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.231
chem shift completeness char.sf id: 506810301

1,50681,36
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 36
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: 36
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: 506810301

1,50681,37
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 37
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.846
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 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: 0.667
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 506810301

1,50681,38
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 38
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 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: 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: 506810301

1,50681,39
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 39
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 39
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,40
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 40
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,41
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 506810301

1,50681,42
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: 42
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,43
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 43
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,44
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: 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: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,45
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 45
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.667
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 506810301

1,50681,46
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 46
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: TYR
chem shift completeness char.comp index id: 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: 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: 506810301

1,50681,47
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 47
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 47
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 506810301

1,50681,48
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 48
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 506810301

1,50681,49
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 49
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 49
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: 506810301

1,50681,50
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 50
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: TRP
chem shift completeness char.comp index id: 50
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 506810301

1,50681,51
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 51
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ARG
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: 0.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 506810301

1,50681,52
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 52
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 52
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: 506810301

1,50681,53
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 53
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 53
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 506810301

1,50681,54
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 54
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: 0.500
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: 0.353
chem shift completeness char.comp id: LYS
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: 0.250
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: 506810301

1,50681,55
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 55
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 506810301

1,50681,56
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 56
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 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: 0.000
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: 506810301

1,50681,57
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 57
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 57
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 506810301

1,50681,58
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 58
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: CYS
chem shift completeness char.comp index id: 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: 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: 506810301

1,50681,59
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 59
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ASP
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: 0.000
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: 506810301

1,50681,60
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 60
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 60
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 506810301

1,50681,61
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 61
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 61
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: 506810301

1,50681,62
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 62
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 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: 0.000
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: 506810301

1,50681,63
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 63
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: THR
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.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: 506810301

1,50681,64
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 64
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 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: 0.000
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: 506810301

1,50681,65
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 65
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 65
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 506810301

1,50681,66
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 66
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 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: 0.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 506810301

1,50681,67
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,68
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 68
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 68
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 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: 506810301

1,50681,69
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: THR
chem shift completeness char.comp index id: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,70
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 70
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 506810301

1,50681,71
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: 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: 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: 506810301

1,50681,72
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 72
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.636
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 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: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 506810301

1,50681,73
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 73
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 73
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: 506810301

1,50681,74
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 74
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 74
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sf id: 506810301

1,50681,75
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 75
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 75
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: 506810301

1,50681,76
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 76
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 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: 0.000
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: 506810301

1,50681,77
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: ILE
chem shift completeness char.comp index id: 77
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,78
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 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: ILE
chem shift completeness char.comp index id: 78
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681,79
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 79
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 79
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: 506810301

1,50681,80
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
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: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 80
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 506810301

1,50681,81
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 81
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 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: 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: 506810301

1,50681,82
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 82
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 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: 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: 506810301

1,50681,83
type: chem shift completeness char
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 50681
chem shift completeness char.id: 83
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 83
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 506810301

1,50681
type: chem shift completeness list
of datablock: info:bmrb/50681
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 1
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chem shift completeness list.arom chem shift 13c fraction: 0/48
chem shift completeness list.arom chem shift 15n fraction: 0/1
chem shift completeness list.arom chem shift 1h fraction: 0/49
chem shift completeness list.arom chem shift fraction: 0/98
chem shift completeness list.assigned residue coverage: 0.566
chem shift completeness list.bb chem shift 13c fraction: 137/244
chem shift completeness list.bb chem shift 15n fraction: 47/79
chem shift completeness list.bb chem shift 1h fraction: 90/167
chem shift completeness list.bb chem shift fraction: 274/490
chem shift completeness list.chem shift 13c fraction: 192/393
chem shift completeness list.chem shift 15n fraction: 47/90
chem shift completeness list.chem shift 1h fraction: 246/538
chem shift completeness list.chem shift fraction: 485/1021
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr50681_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 20/33
chem shift completeness list.methyl chem shift 1h fraction: 22/33
chem shift completeness list.methyl chem shift fraction: 42/66
chem shift completeness list.output file name: bmr50681_chem_shift_completeness.str
chem shift completeness list.queried date: 2022-06-07Z
chem shift completeness list.sc chem shift 13c fraction: 100/227
chem shift completeness list.sc chem shift 15n fraction: 0/11
chem shift completeness list.sc chem shift 1h fraction: 156/371
chem shift completeness list.sc chem shift fraction: 256/609
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: 506810301

1,50681,3
type: chem shift experiment
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chem shift experiment.experiment name: 3D HN(CA)CO
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1,50681,7
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1,50681,8
type: chem shift experiment
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chem shift experiment.experiment id: 8
chem shift experiment.experiment name: 3D (H)CCH-TOCSY
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chem shift experiment.sample state: isotropic

13,C,1,50681,DSS
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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: 50681
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,1,50681,DSS
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chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 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,1,50681,DSS
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chem shift ref.atom type: N
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chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
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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

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1,50681,3
type: chem shift software
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chem shift software.software id: 3
chem shift software.method id: 0
chem shift software.software label: software_3

50681,1
type: citation
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reference to entry: entry
citation.entry id: 50681
citation.id: 1
citation.class: entry citation
citation.doi: 10.5194/mr-2-203-2021
citation.journal abbrev: Magn. Reson.
citation.journal volume: 2
citation.page first: 203
citation.page last: 221
citation.sf category: citations
citation.sf framecode: citations_1
citation.status: published
citation.title: The long-standing relationship between paramagnetic NMR and iron-sulfur proteins: the mitoNEET example. An old method for new stories or the other way around?
citation.type: journal
citation.year: 2021

info:doi/10.5194/mr-2-203-2021

doi:10.5194/mr-2-203-2021

1,50681,1
type: citation author
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citation author.citation id: 1
citation author.entry id: 50681
citation author.ordinal: 1
citation author.family name: Camponeschi
citation author.given name: Francesca
citation author.pdbx name: Camponeschi, F.

1,50681,2
type: citation author
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citation author.citation id: 1
citation author.entry id: 50681
citation author.ordinal: 2
citation author.family name: Gallo
citation author.given name: Angelo
citation author.pdbx name: Gallo, A.

1,50681,3
type: citation author
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citation author.citation id: 1
citation author.entry id: 50681
citation author.ordinal: 3
citation author.family name: Piccioli
citation author.given name: Mario
citation author.pdbx name: Piccioli, M.

1,50681,4
type: citation author
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citation author.citation id: 1
citation author.entry id: 50681
citation author.ordinal: 4
citation author.family name: Banci
citation author.given name: Lucia
citation author.pdbx name: Banci, L.

1,50681,NMR spectroscopy
type: citation keyword
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citation keyword.citation id: 1
citation keyword.entry id: 50681
citation keyword.keyword: NMR spectroscopy

1,50681,Structural biology
type: citation keyword
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citation keyword.citation id: 1
citation keyword.entry id: 50681
citation keyword.keyword: Structural biology

1,50681,iron sulfur cluster
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citation keyword.citation id: 1
citation keyword.entry id: 50681
citation keyword.keyword: iron sulfur cluster

1,50681,paramagnetic NMR
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citation keyword.entry id: 50681
citation keyword.keyword: paramagnetic NMR

50681,assigned chemical shifts
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reference to entry: entry
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data set.type: assigned_chemical_shifts
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50681,13C chemical shifts
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datum.entry id: 50681
datum.type: 13C chemical shifts
datum.count: 179

50681,15N chemical shifts
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reference to entry: entry
datum.entry id: 50681
datum.type: 15N chemical shifts
datum.count: 44

50681,1H chemical shifts
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reference to entry: entry
datum.entry id: 50681
datum.type: 1H chemical shifts
datum.count: 286

50681,1
type: entity
of datablock: info:bmrb/50681
reference to entry: entry
entity.entry id: 50681
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 9717.113
entity.name: entity 1
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.number of monomers: 83
entity.paramagnetic: yes
entity.parent entity id: 1
entity.polymer author defined seq: GIDPFM are residual of cloning site and cleavage site. The first residue is K and the original sequence numbering for this residue is number 32.
entity.polymer author seq details: The real sequence start from residue 7 and it should be translated to number 32
entity.polymer seq one letter code: GIDPFMKRFYVKDHRNKAMINLHIQKDNPKIVHAFDMEDLGDKAVYCRCWRSKKFPFCDGAHTKHNEETGDNVGPLIIKKKET
entity.polymer seq one letter code can: GIDPFMKRFYVKDHRNKAMINLHIQKDNPKIVHAFDMEDLGDKAVYCRCWRSKKFPFCDGAHTKHNEETGDNVGPLIIKKKET
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: entity_1
entity.thiol state: all other bound
entity.type: polymer

50681,2
type: entity
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reference to entry: entry
entity.entry id: 50681
entity.id: 2
entity.bmrb code: FES
entity.formula weight: 175.820
entity.name: entity FES
entity.nonpolymer comp id: FES
entity.nonpolymer comp label: chem_comp_FES
entity.number of nonpolymer components: 1
entity.paramagnetic: yes
entity.parent entity id: 2
entity.polymer seq one letter code can: (FES)
entity.sf category: entity
entity.sf framecode: entity_FES
entity.type: non-polymer

1,50681,1
type: entity assembly
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entity assembly.assembly id: 1
entity assembly.entry id: 50681
entity assembly.id: 1
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: mitoNEET
entity assembly.entity id: 1
entity assembly.entity label: entity_1
entity assembly.experimental data reported: yes
entity assembly.physical state: native

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entity assembly.conformational isomer: no
entity assembly.entity assembly name: FES
entity assembly.entity id: 2
entity assembly.entity label: entity_FES
entity assembly.experimental data reported: no
entity assembly.physical state: native

May be involved in Fe-S cluster shuttling and/or in redox reacti,1,50681
type: entity biological function
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entity biological function.biological function: May be involved in Fe-S cluster shuttling and/or in redox reactions.
entity biological function.entity id: 1
entity biological function.entry id: 50681

Plays a key role in regulating maximal capacity for electron tra,1,50681
type: entity biological function
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entity biological function.biological function: Plays a key role in regulating maximal capacity for electron transport and oxidative phosphorylation (By similarity).
entity biological function.entity id: 1
entity biological function.entry id: 50681

2,50681,FE2/S2 (INORGANIC) CLUSTER,BMRB
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entity common name.name: FE2/S2 (INORGANIC) CLUSTER
entity common name.type: BMRB

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1,50681,71
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1,50681,73
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1,50681,74
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Q9NZ45,SP,1,50681
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entity db link.accession code: Q9NZ45
entity db link.database code: SP
entity db link.entity id: 1
entity db link.entry id: 50681
entity db link.author supplied: yes
entity db link.entry mol name: CDGSH iron-sulfur domain-containing protein 1
entity db link.ordinal: 1

info:uniprot/Q9NZ45

uniprot:Q9NZ45

1,50681,1
type: entity experimental src
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entity experimental src.entity id: 1
entity experimental src.entity label: entity_1
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.host org strain: Rosetta 2(DE3)
entity experimental src.production method: recombinant technology
entity experimental src.vector name: pET151-D/TOPO
entity experimental src.vector type: plasmid

info:taxonomy/562

taxonomy:562

50681,1
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entity natural src.entity label: entity_1
entity natural src.genus: Homo
entity natural src.kingdom: Metazoa
entity natural src.ncbi taxonomy id: 9606
entity natural src.organism name common: Human
entity natural src.organism name scientific: Homo sapiens
entity natural src.species: sapiens
entity natural src.superkingdom: Eukaryota
entity natural src.type: organism

info:taxonomy/9606

taxonomy:9606

50681,1
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1,50681,22
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1,50681,45
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2,50681,BMRB
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2,50681,Three letter code
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http://bmrbpub.pdbj.org/rdf/bmr50681/entry/50681
type: entry
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entry.id: 50681
entry.accession date: 2020-12-21Z
entry.assigned pdb deposition code: <!DOCTYPE html PUBLIC -//W3C//DTD XHTML 1.0 Strict//EN
entry.details: Backbone and sidechains assignment for the reduced form of mitoNEET
entry.experimental method: NMR
entry.experimental method subtype: solution
entry.last release date: 2020-12-21Z
entry.nmr star version: 3.2.14.0
entry.original nmr star version: 3.1
entry.original release date: 2020-12-21Z
entry.origination: author
entry.sf category: entry_information
entry.sf framecode: entry_information_1
entry.submission date: 2020-12-21Z
entry.title: 1H, 13C, 15N reduced mitoNEET assignment
entry.type: macromolecule
entry.version type: original

50681,1
type: entry author
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entry author.entry id: 50681
entry author.ordinal: 1
entry author.family name: Camponeschi
entry author.given name: Francesca
entry author.orcid: 0000-0002-4122-4508
entry author.pdbx name: Camponeschi, F.

info:orcid/0000-0002-4122-4508

orcid:0000-0002-4122-4508

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info:orcid/0000-0001-9778-4822

orcid:0000-0001-9778-4822

50681,3
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orcid:0000-0001-9882-9754

50681,4
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info:orcid/0000-0003-0562-5774

orcid:0000-0003-0562-5774

50681,1,1
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50681,1,2
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50681,1,3
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50681,1,4
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50681,1,5
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50681,1,8
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50681,1,9
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50681,1
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50681,1
type: nmr spectrometer
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50682,BMRB,50681
type: related entries
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related entries.database accession code: 50682
related entries.database name: BMRB
related entries.entry id: 50681
related entries.relationship: oxidized mitoNEET assignment

info:bmrb/50682

50681,1
type: release
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release.release number: 1
release.author: BMRB
release.date: 2022-02-09Z
release.type: original

50681,1
type: sample
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50681,1,1
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sample component.isotopic labeling: [U-13C; U-15N]
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50681,2,1
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50681,3,1
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50681,4,1
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50681,1
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50681,1,ionic strength
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50681,1,pH
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50681,1,pressure
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50681,1,temperature
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50681,1
type: software
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50681,2
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50681,3
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50681,3,chemical shift assignment
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50681,1,collection
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50681,2,processing
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