info:bmrb/4471
type: datablock
datablock name: 4471
has assembly category: assemblyCategory
has assembly bio function category: assembly bio functionCategory
has assembly common name category: assembly common nameCategory
has assembly db link category: assembly db linkCategory
has assembly type category: assembly typeCategory
has assigned chem shift list category: assigned chem shift listCategory
has atom chem shift category: atom chem shiftCategory
has bond category: bondCategory
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 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
has entity category: entityCategory
has entity assembly category: entity assemblyCategory
has entity common name category: entity common nameCategory
has entity comp index category: entity comp indexCategory
has entity db link category: entity db linkCategory
has entity deleted atom category: entity deleted atomCategory
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 entry category: entryCategory
has entry author category: entry authorCategory
has experiment category: experimentCategory
has experiment list category: experiment listCategory
has nmr spec expt category: nmr spec exptCategory
has nmr spectrometer category: nmr spectrometerCategory
has nmr spectrometer list category: nmr spectrometer listCategory
has nmr spectrometer view category: nmr spectrometer viewCategory
has related entries category: related entriesCategory
has release category: releaseCategory
has sample category: sampleCategory
has sample component category: sample componentCategory
has sample condition list category: sample condition listCategory
has sample condition variable category: sample condition variableCategory
has software category: softwareCategory
has task category: taskCategory

4471,1
type: assembly
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
assembly.entry id: 4471
assembly.id: 1
assembly.name: cytochrome c552
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: cyt_c552_system
assembly.thiol state: all other bound

https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
referenced by assembly: 4471,1
referenced by assigned chem shift list: 4471,1
referenced by assigned chem shift list: 4471,2
referenced by chem comp: 4471,HEM
referenced by chem comp atom: CHA,HEM,4471
referenced by chem comp atom: CHB,HEM,4471
referenced by chem comp atom: CHC,HEM,4471
referenced by chem comp atom: CHD,HEM,4471
referenced by chem comp atom: C1A,HEM,4471
referenced by chem comp atom: C2A,HEM,4471
referenced by chem comp atom: C3A,HEM,4471
referenced by chem comp atom: C4A,HEM,4471
referenced by chem comp atom: CMA,HEM,4471
referenced by chem comp atom: CAA,HEM,4471
referenced by chem comp atom: CBA,HEM,4471
referenced by chem comp atom: CGA,HEM,4471
referenced by chem comp atom: O1A,HEM,4471
referenced by chem comp atom: O2A,HEM,4471
referenced by chem comp atom: C1B,HEM,4471
referenced by chem comp atom: C2B,HEM,4471
referenced by chem comp atom: C3B,HEM,4471
referenced by chem comp atom: C4B,HEM,4471
referenced by chem comp atom: CMB,HEM,4471
referenced by chem comp atom: CAB,HEM,4471
referenced by chem comp atom: CBB,HEM,4471
referenced by chem comp atom: C1C,HEM,4471
referenced by chem comp atom: C2C,HEM,4471
referenced by chem comp atom: C3C,HEM,4471
referenced by chem comp atom: C4C,HEM,4471
referenced by chem comp atom: CMC,HEM,4471
referenced by chem comp atom: CAC,HEM,4471
referenced by chem comp atom: CBC,HEM,4471
referenced by chem comp atom: C1D,HEM,4471
referenced by chem comp atom: C2D,HEM,4471
referenced by chem comp atom: C3D,HEM,4471
referenced by chem comp atom: C4D,HEM,4471
referenced by chem comp atom: CMD,HEM,4471
referenced by chem comp atom: CAD,HEM,4471
referenced by chem comp atom: CBD,HEM,4471
referenced by chem comp atom: CGD,HEM,4471
referenced by chem comp atom: O1D,HEM,4471
referenced by chem comp atom: O2D,HEM,4471
referenced by chem comp atom: NA,HEM,4471
referenced by chem comp atom: NB,HEM,4471
referenced by chem comp atom: NC,HEM,4471
referenced by chem comp atom: ND,HEM,4471
referenced by chem comp atom: FE,HEM,4471
referenced by chem comp atom: HHB,HEM,4471
referenced by chem comp atom: HHC,HEM,4471
referenced by chem comp atom: HHD,HEM,4471
referenced by chem comp atom: HMA,HEM,4471
referenced by chem comp atom: HMAA,HEM,4471
referenced by chem comp atom: HMAB,HEM,4471
referenced by chem comp atom: HAA,HEM,4471
referenced by chem comp atom: HAAA,HEM,4471
referenced by chem comp atom: HBA,HEM,4471
referenced by chem comp atom: HBAA,HEM,4471
referenced by chem comp atom: HMB,HEM,4471
referenced by chem comp atom: HMBA,HEM,4471
referenced by chem comp atom: HMBB,HEM,4471
referenced by chem comp atom: HAB,HEM,4471
referenced by chem comp atom: HBB,HEM,4471
referenced by chem comp atom: HBBA,HEM,4471
referenced by chem comp atom: HMC,HEM,4471
referenced by chem comp atom: HMCA,HEM,4471
referenced by chem comp atom: HMCB,HEM,4471
referenced by chem comp atom: HAC,HEM,4471
referenced by chem comp atom: HBC,HEM,4471
referenced by chem comp atom: HBCA,HEM,4471
referenced by chem comp atom: HMD,HEM,4471
referenced by chem comp atom: HMDA,HEM,4471
referenced by chem comp atom: HMDB,HEM,4471
referenced by chem comp atom: HAD,HEM,4471
referenced by chem comp atom: HADA,HEM,4471
referenced by chem comp atom: HBD,HEM,4471
referenced by chem comp atom: HBDA,HEM,4471
referenced by chem comp atom: H2A,HEM,4471
referenced by chem comp atom: H2D,HEM,4471
referenced by chem comp atom: HHA,HEM,4471
referenced by chem shift completeness char: 1,4471,1

1,electron-transfer mediator in bacterial respiratory chain,4471
type: assembly bio function
of datablock: info:bmrb/4471
assembly bio function.assembly id: 1
assembly bio function.biological function: electron-transfer mediator in bacterial respiratory chain
assembly bio function.entry id: 4471

1,4471,cytochrome c552,system
type: assembly common name
of datablock: info:bmrb/4471
assembly common name.assembly id: 1
assembly common name.entry id: 4471
assembly common name.name: cytochrome c552
assembly common name.type: system

1,4471,cyt c552,abbreviation
type: assembly common name
of datablock: info:bmrb/4471
assembly common name.assembly id: 1
assembly common name.entry id: 4471
assembly common name.name: cyt c552
assembly common name.type: abbreviation

P54820,1,SP,4471
type: assembly db link
of datablock: info:bmrb/4471
assembly db link.accession code: P54820
assembly db link.assembly id: 1
assembly db link.database code: SP
assembly db link.entry id: 4471
assembly db link.author supplied: yes
assembly db link.entry details: This deposit represents the soluble fragment containing the functional domain which starts at position 78 and is preceded by an additional Met residue
assembly db link.entry mol name: CYTOCHROME C-552

info:uniprot/P54820

urn:miriam:uniprot:P54820

1,4471,protein monomer
type: assembly type
of datablock: info:bmrb/4471
assembly type.assembly id: 1
assembly type.entry id: 4471
assembly type.type: protein monomer

4471,1
type: assigned chem shift list
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
assigned chem shift list.entry id: 4471
assigned chem shift list.id: 1
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chemical_shift_reference
assigned chem shift list.details: The ambiguity code for geminal methylene and methyl protons has been set to 1 for stereospecific assignments and to 2 for non-stereospecific assignments. The ambiguity code 9 denotes tentative assignments.
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: cond_set_1
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: shift_set_1

4471,2
type: assigned chem shift list
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
assigned chem shift list.entry id: 4471
assigned chem shift list.id: 2
assigned chem shift list.chem shift reference id: 1
assigned chem shift list.chem shift reference label: chemical_shift_reference
assigned chem shift list.details: The ambiguity code for geminal methylene and methyl protons has been set to 1 for stereospecific assignments and to 2 for non-stereospecific assignments. The ambiguity code 9 denotes tentative assignments.
assigned chem shift list.sample condition list id: 1
assigned chem shift list.sample condition list label: cond_set_1
assigned chem shift list.sf category: assigned_chemical_shifts
assigned chem shift list.sf framecode: shift_set_2

1,4471,1
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1
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.comp id: MET
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 4.17
atom chem shift.val err: 0.01

1,4471,2
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 2
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: MET
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 2.22
atom chem shift.val err: 0.01

1,4471,3
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 3
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.comp id: MET
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 2.22
atom chem shift.val err: 0.01

1,4471,4
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 4
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: MET
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 2.71
atom chem shift.val err: 0.01

1,4471,5
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 5
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: MET
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 2.71
atom chem shift.val err: 0.01

1,4471,6
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 6
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 2.17
atom chem shift.val err: 0.01

1,4471,7
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 7
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 2.17
atom chem shift.val err: 0.01

1,4471,8
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 8
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 2.17
atom chem shift.val err: 0.01

1,4471,9
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 9
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: C
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 171.9
atom chem shift.val err: 0.1

1,4471,10
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 10
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: C
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 55.0
atom chem shift.val err: 0.1

1,4471,11
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 11
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 32.8
atom chem shift.val err: 0.1

1,4471,12
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.seq id: 1
atom chem shift.val: 30.7
atom chem shift.val err: 0.1

1,4471,13
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 13
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atom chem shift.atom type: C
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atom chem shift.entity id: 1
atom chem shift.seq id: 1
atom chem shift.val: 16.8
atom chem shift.val err: 0.1

1,4471,14
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 14
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atom chem shift.seq id: 2
atom chem shift.val: 8.78
atom chem shift.val err: 0.01

1,4471,15
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.comp index id: 2
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 2
atom chem shift.val: 4.49
atom chem shift.val err: 0.01

1,4471,16
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 16
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atom chem shift.seq id: 2
atom chem shift.val: 1.41
atom chem shift.val err: 0.01

1,4471,17
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 17
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atom chem shift.seq id: 2
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atom chem shift.val err: 0.01

1,4471,18
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 1.41
atom chem shift.val err: 0.01

1,4471,19
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 175.7
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1,4471,20
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,21
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 19.6
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1,4471,22
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,23
type: atom chem shift
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1,4471,24
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,25
type: atom chem shift
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1,4471,26
type: atom chem shift
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1,4471,27
type: atom chem shift
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1,4471,28
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 50.4
atom chem shift.val err: 0.1

1,4471,29
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 29
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atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 41.9
atom chem shift.val err: 0.1

1,4471,30
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 30
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atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 119.9
atom chem shift.val err: 0.1

1,4471,31
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 31
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atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 4.45
atom chem shift.val err: 0.01

1,4471,32
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 32
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atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 2.30
atom chem shift.val err: 0.01

1,4471,33
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 33
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atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 2.17
atom chem shift.val err: 0.01

1,4471,34
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 34
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atom chem shift.val err: 0.01

1,4471,35
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 2.07
atom chem shift.val err: 0.01

1,4471,36
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.seq id: 4
atom chem shift.val: 3.82
atom chem shift.val err: 0.01

1,4471,37
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 4.19
atom chem shift.val err: 0.01

1,4471,38
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 178.0
atom chem shift.val err: 0.1

1,4471,39
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 64.8
atom chem shift.val err: 0.1

1,4471,40
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 31.9
atom chem shift.val err: 0.1

1,4471,41
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 27.2
atom chem shift.val err: 0.1

1,4471,42
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 42
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atom chem shift.val: 51.0
atom chem shift.val err: 0.1

1,4471,43
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,44
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,45
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,46
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,47
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,48
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 180.9
atom chem shift.val err: 0.1

1,4471,49
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,50
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,51
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,52
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,53
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,54
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,55
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,56
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,57
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,58
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,59
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,60
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,61
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,62
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,63
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,64
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,65
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,66
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,67
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,68
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,69
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,70
type: atom chem shift
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atom chem shift.comp id: GLU
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: 2.00
atom chem shift.val err: 0.01

1,4471,71
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 71
atom chem shift.ambiguity code: 1
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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: 2.02
atom chem shift.val err: 0.01

1,4471,72
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 72
atom chem shift.ambiguity code: 1
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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: 2.02
atom chem shift.val err: 0.01

1,4471,73
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 73
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.comp id: GLU
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: 178.2
atom chem shift.val err: 0.1

1,4471,74
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 74
atom chem shift.ambiguity code: 1
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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: 59.0
atom chem shift.val err: 0.1

1,4471,75
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 75
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 29.4
atom chem shift.val err: 0.1

1,4471,76
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 76
atom chem shift.ambiguity code: 1
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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: 35.4
atom chem shift.val err: 0.1

1,4471,77
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 77
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.atom type: N
atom chem shift.comp id: GLU
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: 123.3
atom chem shift.val err: 0.1

1,4471,78
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 78
atom chem shift.ambiguity code: 1
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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: 6.97
atom chem shift.val err: 0.01

1,4471,79
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 79
atom chem shift.ambiguity code: 1
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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: 4.11
atom chem shift.val err: 0.01

1,4471,80
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 80
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 2.02
atom chem shift.val err: 0.01

1,4471,81
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 81
atom chem shift.ambiguity code: 1
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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: 2.02
atom chem shift.val err: 0.01

1,4471,82
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 82
atom chem shift.ambiguity code: 2
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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: 1.61
atom chem shift.val err: 0.01

1,4471,83
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 83
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: 9
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 1.49
atom chem shift.val err: 0.01

1,4471,84
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 84
atom chem shift.ambiguity code: 1
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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: 1.74
atom chem shift.val err: 0.01

1,4471,85
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 85
atom chem shift.ambiguity code: 1
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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: 1.74
atom chem shift.val err: 0.01

1,4471,86
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 86
atom chem shift.ambiguity code: 1
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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: 3.02
atom chem shift.val err: 0.01

1,4471,87
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 87
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 3.02
atom chem shift.val err: 0.01

1,4471,88
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 88
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 181.3
atom chem shift.val err: 0.1

1,4471,89
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 89
atom chem shift.ambiguity code: 1
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atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 58.7
atom chem shift.val err: 0.1

1,4471,90
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 90
atom chem shift.ambiguity code: 1
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atom chem shift.seq id: 9
atom chem shift.val: 31.7
atom chem shift.val err: 0.1

1,4471,91
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 91
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 24.9
atom chem shift.val err: 0.1

1,4471,92
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 92
atom chem shift.ambiguity code: 1
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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: 28.9
atom chem shift.val err: 0.1

1,4471,93
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 93
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 9
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atom chem shift.entity id: 1
atom chem shift.seq id: 9
atom chem shift.val: 42.2
atom chem shift.val err: 0.1

1,4471,94
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 94
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 116.4
atom chem shift.val err: 0.1

1,4471,95
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 95
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
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atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 7.67
atom chem shift.val err: 0.01

1,4471,96
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 96
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 10
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atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 3.82
atom chem shift.val err: 0.01

1,4471,97
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 97
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 2.48
atom chem shift.val err: 0.01

1,4471,98
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 98
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.seq id: 10
atom chem shift.val: 1.29
atom chem shift.val err: 0.01

1,4471,99
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.seq id: 10
atom chem shift.val: 1.29
atom chem shift.val err: 0.01

1,4471,100
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 100
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atom chem shift.val: 1.29
atom chem shift.val err: 0.01

1,4471,101
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 101
atom chem shift.ambiguity code: 1
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atom chem shift.val: 1.29
atom chem shift.val err: 0.01

1,4471,102
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 102
atom chem shift.ambiguity code: 1
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atom chem shift.val err: 0.01

1,4471,103
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 103
atom chem shift.ambiguity code: 1
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atom chem shift.seq id: 10
atom chem shift.val: 1.29
atom chem shift.val err: 0.01

1,4471,104
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 104
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.comp index id: 10
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atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 176.8
atom chem shift.val err: 0.1

1,4471,105
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 105
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 10
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atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 66.0
atom chem shift.val err: 0.1

1,4471,106
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 106
atom chem shift.ambiguity code: 1
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atom chem shift.val: 31.2
atom chem shift.val err: 0.1

1,4471,107
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 107
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 10
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atom chem shift.val err: 0.1

1,4471,108
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 108
atom chem shift.ambiguity code: 1
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atom chem shift.val err: 0.1

1,4471,109
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 109
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.comp id: VAL
atom chem shift.comp index id: 10
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 10
atom chem shift.val: 122.8
atom chem shift.val err: 0.1

1,4471,110
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 110
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atom chem shift.val err: 0.01

1,4471,111
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 111
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atom chem shift.val err: 0.01

1,4471,112
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 112
atom chem shift.ambiguity code: 1
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atom chem shift.seq id: 11
atom chem shift.val: 3.01
atom chem shift.val err: 0.01

1,4471,113
type: atom chem shift
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1,4471,114
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,116
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1,4471,117
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atom chem shift.val err: 0.1

1,4471,156
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atom chem shift.val err: 0.1

1,4471,157
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atom chem shift.val err: 0.1

1,4471,158
type: atom chem shift
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atom chem shift.val err: 0.1

1,4471,159
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1,4471,161
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1,4471,162
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1,4471,163
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1,4471,164
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1,4471,165
type: atom chem shift
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1,4471,166
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,167
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1,4471,168
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1,4471,169
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1,4471,170
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1,4471,171
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1,4471,173
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1,4471,175
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1,4471,176
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1,4471,177
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1,4471,178
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1,4471,179
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1,4471,182
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1,4471,187
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atom chem shift.val err: 0.01

1,4471,198
type: atom chem shift
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atom chem shift.val: 0.09
atom chem shift.val err: 0.01

1,4471,199
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,200
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,201
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,202
type: atom chem shift
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atom chem shift.val err: 0.1

1,4471,203
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,204
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,205
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 114.1
atom chem shift.val err: 0.1

1,4471,206
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 165.9
atom chem shift.val err: 0.1

1,4471,207
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,208
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,209
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,210
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,211
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,212
type: atom chem shift
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1,4471,213
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,214
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,215
type: atom chem shift
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1,4471,216
type: atom chem shift
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1,4471,217
type: atom chem shift
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1,4471,218
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1,4471,219
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1,4471,220
type: atom chem shift
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1,4471,221
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1,4471,222
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1,4471,223
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1,4471,224
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1,4471,225
type: atom chem shift
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1,4471,226
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1,4471,227
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1,4471,228
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1,4471,229
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1,4471,230
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1,4471,231
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1,4471,232
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1,4471,233
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1,4471,234
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1,4471,235
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1,4471,236
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1,4471,237
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1,4471,238
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 22.9
atom chem shift.val err: 0.1

1,4471,241
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 241
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 20
atom chem shift.val: 117.7
atom chem shift.val err: 0.1

1,4471,242
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 242
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atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 7.39
atom chem shift.val err: 0.01

1,4471,243
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 243
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 4.59
atom chem shift.val err: 0.01

1,4471,244
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 244
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atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 3.08
atom chem shift.val err: 0.01

1,4471,245
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 2.40
atom chem shift.val err: 0.01

1,4471,246
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 177.3
atom chem shift.val err: 0.1

1,4471,247
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 52.2
atom chem shift.val err: 0.1

1,4471,248
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.seq id: 21
atom chem shift.val: 41.2
atom chem shift.val err: 0.1

1,4471,249
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 21
atom chem shift.val: 119.1
atom chem shift.val err: 0.1

1,4471,250
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 7.62
atom chem shift.val err: 0.01

1,4471,251
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.72
atom chem shift.val err: 0.01

1,4471,252
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.92
atom chem shift.val err: 0.01

1,4471,253
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 172.8
atom chem shift.val err: 0.1

1,4471,254
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 45.0
atom chem shift.val err: 0.1

1,4471,255
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 22
atom chem shift.val: 104.3
atom chem shift.val err: 0.1

1,4471,256
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 7.55
atom chem shift.val err: 0.01

1,4471,257
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.61
atom chem shift.val err: 0.01

1,4471,258
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 2.76
atom chem shift.val err: 0.01

1,4471,259
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,260
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,261
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,262
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,263
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,264
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,265
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,266
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,267
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,268
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,269
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,270
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,271
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,272
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,273
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,274
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,275
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,276
type: atom chem shift
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1,4471,277
type: atom chem shift
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1,4471,278
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,279
type: atom chem shift
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1,4471,280
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1,4471,281
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1,4471,282
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,283
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 283
atom chem shift.ambiguity code: 1
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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: 1.87
atom chem shift.val err: 0.01

1,4471,284
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 284
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 26
atom chem shift.val: 1.74
atom chem shift.val err: 0.01

1,4471,285
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 285
atom chem shift.ambiguity code: 1
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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: 1.74
atom chem shift.val err: 0.01

1,4471,286
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 286
atom chem shift.ambiguity code: 1
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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: 1.74
atom chem shift.val err: 0.01

1,4471,287
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 287
atom chem shift.ambiguity code: 1
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atom chem shift.val: 1.26
atom chem shift.val err: 0.01

1,4471,288
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 288
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atom chem shift.val err: 0.01

1,4471,289
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 289
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atom chem shift.val: 1.26
atom chem shift.val err: 0.01

1,4471,290
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 175.9
atom chem shift.val err: 0.1

1,4471,291
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 67.0
atom chem shift.val err: 0.1

1,4471,292
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 32.4
atom chem shift.val err: 0.1

1,4471,293
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 293
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 21.4
atom chem shift.val err: 0.1

1,4471,294
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 294
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atom chem shift.val: 22.4
atom chem shift.val err: 0.1

1,4471,295
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 295
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.seq id: 26
atom chem shift.val: 131.7
atom chem shift.val err: 0.1

1,4471,296
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 7.20
atom chem shift.val err: 0.01

1,4471,297
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 3.83
atom chem shift.val err: 0.01

1,4471,298
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: -0.19
atom chem shift.val err: 0.01

1,4471,299
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 171.3
atom chem shift.val err: 0.1

1,4471,300
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 40.5
atom chem shift.val err: 0.1

1,4471,301
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 27
atom chem shift.val: 99.7
atom chem shift.val err: 0.1

1,4471,302
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,303
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,304
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,305
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,306
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,307
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,308
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,309
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,310
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,311
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,312
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,313
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,314
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,315
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,316
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,317
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,318
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,319
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,320
type: atom chem shift
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1,4471,321
type: atom chem shift
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1,4471,322
type: atom chem shift
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1,4471,323
type: atom chem shift
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1,4471,324
type: atom chem shift
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1,4471,325
type: atom chem shift
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atom chem shift.atom type: N
atom chem shift.comp id: HIS
atom chem shift.comp index id: 29
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 29
atom chem shift.val: 119.0
atom chem shift.val err: 0.1

1,4471,326
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 326
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 7.96
atom chem shift.val err: 0.01

1,4471,327
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 327
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 3.97
atom chem shift.val err: 0.01

1,4471,328
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 328
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 0.72
atom chem shift.val err: 0.01

1,4471,329
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 329
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 1.17
atom chem shift.val err: 0.01

1,4471,330
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 330
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: -0.30
atom chem shift.val err: 0.01

1,4471,331
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 331
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: -1.52
atom chem shift.val err: 0.01

1,4471,332
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 332
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: -1.52
atom chem shift.val err: 0.01

1,4471,333
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 333
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: -1.52
atom chem shift.val err: 0.01

1,4471,334
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 334
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: -0.73
atom chem shift.val err: 0.01

1,4471,335
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 335
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: -0.73
atom chem shift.val err: 0.01

1,4471,336
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 336
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: -0.73
atom chem shift.val err: 0.01

1,4471,337
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 337
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 176.2
atom chem shift.val err: 0.1

1,4471,338
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 338
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 30
atom chem shift.val: 53.0
atom chem shift.val err: 0.1

1,4471,339
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 339
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atom chem shift.seq id: 30
atom chem shift.val: 43.2
atom chem shift.val err: 0.1

1,4471,340
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 30
atom chem shift.val: 24.8
atom chem shift.val err: 0.1

1,4471,341
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 341
atom chem shift.ambiguity code: 1
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atom chem shift.val: 24.3
atom chem shift.val err: 0.1

1,4471,342
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 342
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 20.1
atom chem shift.val err: 0.1

1,4471,343
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 343
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.comp index id: 30
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 30
atom chem shift.val: 118.5
atom chem shift.val err: 0.1

1,4471,344
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 344
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 8.71
atom chem shift.val err: 0.01

1,4471,345
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 345
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 31
atom chem shift.val: 4.24
atom chem shift.val err: 0.01

1,4471,346
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 346
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 31
atom chem shift.val: 2.46
atom chem shift.val err: 0.01

1,4471,347
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 347
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atom chem shift.val: 2.34
atom chem shift.val err: 0.01

1,4471,348
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,349
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,350
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 176.1
atom chem shift.val err: 0.1

1,4471,351
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 54.5
atom chem shift.val err: 0.1

1,4471,352
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 35.2
atom chem shift.val err: 0.1

1,4471,353
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 116.9
atom chem shift.val err: 0.1

1,4471,354
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 116.9
atom chem shift.val err: 0.1

1,4471,355
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,356
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,357
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,358
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,359
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.1

1,4471,360
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 360
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1,4471,361
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,362
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,363
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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1,4471,364
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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1,4471,365
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,366
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,367
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.seq id: 33
atom chem shift.val: 1.05
atom chem shift.val err: 0.01

1,4471,368
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 368
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.comp id: VAL
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 1.05
atom chem shift.val err: 0.01

1,4471,369
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 369
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 33
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 33
atom chem shift.val: 1.05
atom chem shift.val err: 0.01

1,4471,370
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 370
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.comp id: VAL
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: 174.7
atom chem shift.val err: 0.1

1,4471,371
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 371
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.comp id: VAL
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: 63.8
atom chem shift.val err: 0.1

1,4471,372
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 372
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: VAL
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: 31.9
atom chem shift.val err: 0.1

1,4471,373
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 373
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: VAL
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: 21.4
atom chem shift.val err: 0.1

1,4471,374
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 374
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.comp id: VAL
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: 23.7
atom chem shift.val err: 0.1

1,4471,375
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 375
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 15
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atom chem shift.comp id: VAL
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: 118.6
atom chem shift.val err: 0.1

1,4471,376
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 376
atom chem shift.ambiguity code: 1
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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: 8.31
atom chem shift.val err: 0.01

1,4471,377
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 377
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 4.06
atom chem shift.val err: 0.01

1,4471,378
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 378
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 2.15
atom chem shift.val err: 0.01

1,4471,379
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 379
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 1.04
atom chem shift.val err: 0.01

1,4471,380
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 380
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
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 34
atom chem shift.val: 1.04
atom chem shift.val err: 0.01

1,4471,381
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 381
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 34
atom chem shift.val: 1.04
atom chem shift.val err: 0.01

1,4471,382
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 382
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 0.90
atom chem shift.val err: 0.01

1,4471,383
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 383
atom chem shift.ambiguity code: 1
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atom chem shift.val: 0.90
atom chem shift.val err: 0.01

1,4471,384
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 384
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 34
atom chem shift.val: 0.90
atom chem shift.val err: 0.01

1,4471,385
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 385
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.comp id: VAL
atom chem shift.comp index id: 34
atom chem shift.entity assembly id: 1
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atom chem shift.val: 177.7
atom chem shift.val err: 0.1

1,4471,386
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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.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: 65.8
atom chem shift.val err: 0.1

1,4471,387
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 387
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 34
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atom chem shift.seq id: 34
atom chem shift.val: 29.4
atom chem shift.val err: 0.1

1,4471,388
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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.comp id: VAL
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: 21.1
atom chem shift.val err: 0.1

1,4471,389
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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.comp id: VAL
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: 21.7
atom chem shift.val err: 0.1

1,4471,390
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 390
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.comp id: VAL
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: 120.5
atom chem shift.val err: 0.1

1,4471,391
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 391
atom chem shift.ambiguity code: 1
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atom chem shift.val: 9.15
atom chem shift.val err: 0.01

1,4471,392
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 392
atom chem shift.ambiguity code: 1
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atom chem shift.val: 4.37
atom chem shift.val err: 0.01

1,4471,393
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 393
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atom chem shift.val: 3.37
atom chem shift.val err: 0.01

1,4471,394
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 394
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 35
atom chem shift.val: 172.8
atom chem shift.val err: 0.1

1,4471,395
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 395
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atom chem shift.val: 44.7
atom chem shift.val err: 0.1

1,4471,396
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 396
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLY
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: 118.6
atom chem shift.val err: 0.1

1,4471,397
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 397
atom chem shift.ambiguity code: 1
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atom chem shift.seq id: 36
atom chem shift.val: 8.52
atom chem shift.val err: 0.01

1,4471,398
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 398
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atom chem shift.val: 4.34
atom chem shift.val err: 0.01

1,4471,399
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,400
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.21
atom chem shift.val err: 0.01

1,4471,401
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 401
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atom chem shift.val: 1.98
atom chem shift.val err: 0.01

1,4471,402
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 402
atom chem shift.ambiguity code: 2
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atom chem shift.comp index id: 36
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atom chem shift.val: 1.91
atom chem shift.val err: 0.01

1,4471,403
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 403
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atom chem shift.comp index id: 36
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atom chem shift.seq id: 36
atom chem shift.val: 3.22
atom chem shift.val err: 0.01

1,4471,404
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 404
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 36
atom chem shift.val: 3.10
atom chem shift.val err: 0.01

1,4471,405
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 405
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 36
atom chem shift.val: 9.09
atom chem shift.val err: 0.01

1,4471,406
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 406
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atom chem shift.val err: 0.01

1,4471,407
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,408
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 408
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atom chem shift.seq id: 36
atom chem shift.val: 175.5
atom chem shift.val err: 0.1

1,4471,409
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 409
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atom chem shift.seq id: 36
atom chem shift.val: 56.5
atom chem shift.val err: 0.1

1,4471,410
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 410
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 32.9
atom chem shift.val err: 0.1

1,4471,411
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 411
atom chem shift.ambiguity code: 1
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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: 26.7
atom chem shift.val err: 0.1

1,4471,412
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 412
atom chem shift.ambiguity code: 1
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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: 44.9
atom chem shift.val err: 0.1

1,4471,413
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 413
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: N
atom chem shift.comp id: ARG
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: 125.4
atom chem shift.val err: 0.1

1,4471,414
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 414
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 88.0
atom chem shift.val err: 0.1

1,4471,415
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 415
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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: 8.31
atom chem shift.val err: 0.01

1,4471,416
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 416
atom chem shift.ambiguity code: 1
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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: 4.29
atom chem shift.val err: 0.01

1,4471,417
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 417
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 37
atom chem shift.val: 3.92
atom chem shift.val err: 0.01

1,4471,418
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 418
atom chem shift.ambiguity code: 1
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atom chem shift.entity id: 1
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atom chem shift.val: 1.26
atom chem shift.val err: 0.01

1,4471,419
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 419
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.26
atom chem shift.val err: 0.01

1,4471,420
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 1.26
atom chem shift.val err: 0.01

1,4471,421
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 174.6
atom chem shift.val err: 0.1

1,4471,422
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.seq id: 37
atom chem shift.val: 63.8
atom chem shift.val err: 0.1

1,4471,423
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 70.3
atom chem shift.val err: 0.1

1,4471,424
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 21.9
atom chem shift.val err: 0.1

1,4471,425
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.seq id: 37
atom chem shift.val: 121.9
atom chem shift.val err: 0.1

1,4471,426
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 8.71
atom chem shift.val err: 0.01

1,4471,427
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.43
atom chem shift.val err: 0.01

1,4471,428
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 1.31
atom chem shift.val err: 0.01

1,4471,429
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,430
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,431
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.61
atom chem shift.val err: 0.01

1,4471,432
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.ambiguity code: 1
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atom chem shift.val: -0.94
atom chem shift.val err: 0.01

1,4471,433
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,434
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,435
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,436
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,437
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,438
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.1

1,4471,439
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,440
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 440
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 38
atom chem shift.val: 130.5
atom chem shift.val err: 0.1

1,4471,441
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,442
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,443
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,444
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,445
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,446
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,447
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,448
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,449
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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1,4471,450
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,451
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,452
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 40
atom chem shift.val: 3.52
atom chem shift.val err: 0.01

1,4471,453
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 453
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: GLY
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: 175.1
atom chem shift.val err: 0.1

1,4471,454
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 454
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.comp id: GLY
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: 45.5
atom chem shift.val err: 0.1

1,4471,455
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 455
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.comp id: GLY
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: 103.1
atom chem shift.val err: 0.1

1,4471,456
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 456
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
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: 8.17
atom chem shift.val err: 0.01

1,4471,457
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 457
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: VAL
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: 4.09
atom chem shift.val err: 0.01

1,4471,458
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 458
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB
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atom chem shift.comp id: VAL
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: 2.52
atom chem shift.val err: 0.01

1,4471,459
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 459
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.comp id: VAL
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: 1.09
atom chem shift.val err: 0.01

1,4471,460
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 460
atom chem shift.ambiguity code: 1
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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: 1.09
atom chem shift.val err: 0.01

1,4471,461
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 461
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 1.09
atom chem shift.val err: 0.01

1,4471,462
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 462
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.comp id: VAL
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: 0.68
atom chem shift.val err: 0.01

1,4471,463
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 463
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: VAL
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: 0.68
atom chem shift.val err: 0.01

1,4471,464
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 464
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 0.68
atom chem shift.val err: 0.01

1,4471,465
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 465
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.comp id: VAL
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: 176.2
atom chem shift.val err: 0.1

1,4471,466
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 466
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: VAL
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: 63.8
atom chem shift.val err: 0.1

1,4471,467
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 467
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: VAL
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: 30.4
atom chem shift.val err: 0.1

1,4471,468
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 468
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.comp id: VAL
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: 22.0
atom chem shift.val err: 0.1

1,4471,469
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 469
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.comp id: VAL
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: 21.3
atom chem shift.val err: 0.1

1,4471,470
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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.comp id: VAL
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: 121.8
atom chem shift.val err: 0.1

1,4471,471
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 471
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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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: 8.86
atom chem shift.val err: 0.01

1,4471,472
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 472
atom chem shift.ambiguity code: 1
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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: 4.61
atom chem shift.val err: 0.01

1,4471,473
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 473
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 42
atom chem shift.val: 2.89
atom chem shift.val err: 0.01

1,4471,474
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 42
atom chem shift.val: 2.89
atom chem shift.val err: 0.01

1,4471,475
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 475
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atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 177.4
atom chem shift.val err: 0.1

1,4471,476
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 476
atom chem shift.ambiguity code: 1
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atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 56.2
atom chem shift.val err: 0.1

1,4471,477
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 41.2
atom chem shift.val err: 0.1

1,4471,478
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 478
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 42
atom chem shift.val: 130.7
atom chem shift.val err: 0.1

1,4471,479
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 479
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atom chem shift.seq id: 43
atom chem shift.val: 8.95
atom chem shift.val err: 0.01

1,4471,480
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 480
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atom chem shift.entity id: 1
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atom chem shift.val: 3.76
atom chem shift.val err: 0.01

1,4471,481
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 4.24
atom chem shift.val err: 0.01

1,4471,482
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 482
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 43
atom chem shift.val: 173.4
atom chem shift.val err: 0.1

1,4471,483
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 483
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atom chem shift.seq id: 43
atom chem shift.val: 45.5
atom chem shift.val err: 0.1

1,4471,484
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 484
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atom chem shift.comp index id: 43
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atom chem shift.seq id: 43
atom chem shift.val: 112.1
atom chem shift.val err: 0.1

1,4471,485
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 485
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 7.55
atom chem shift.val err: 0.01

1,4471,486
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 486
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atom chem shift.val: 4.25
atom chem shift.val err: 0.01

1,4471,487
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.52
atom chem shift.val err: 0.01

1,4471,488
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 488
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atom chem shift.val: 2.81
atom chem shift.val err: 0.01

1,4471,489
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 489
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atom chem shift.val: 7.05
atom chem shift.val err: 0.01

1,4471,490
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 490
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.05
atom chem shift.val err: 0.01

1,4471,491
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 491
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 44
atom chem shift.val: 7.81
atom chem shift.val err: 0.01

1,4471,492
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 492
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atom chem shift.val: 7.81
atom chem shift.val err: 0.01

1,4471,493
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 493
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atom chem shift.val: 7.44
atom chem shift.val err: 0.01

1,4471,494
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 494
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 44
atom chem shift.val: 174.5
atom chem shift.val err: 0.1

1,4471,495
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 58.2
atom chem shift.val err: 0.1

1,4471,496
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 39.7
atom chem shift.val err: 0.1

1,4471,497
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 133.3
atom chem shift.val err: 0.1

1,4471,498
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,500
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,501
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 121.0
atom chem shift.val err: 0.1

1,4471,503
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,504
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 4.73
atom chem shift.val err: 0.01

1,4471,505
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.59
atom chem shift.val err: 0.01

1,4471,506
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,507
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,508
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,509
type: atom chem shift
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of datablock: info:bmrb/4471
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1,4471,512
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,513
type: atom chem shift
of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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1,4471,515
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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type: atom chem shift
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atom chem shift.val err: 0.1

1,4471,538
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 64.3
atom chem shift.val err: 0.1

1,4471,539
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 539
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 47
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 47
atom chem shift.val: 120.0
atom chem shift.val err: 0.1

1,4471,540
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 540
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 9.38
atom chem shift.val err: 0.01

1,4471,541
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 541
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atom chem shift.comp index id: 48
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 4.69
atom chem shift.val err: 0.01

1,4471,542
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 542
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atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 2.82
atom chem shift.val err: 0.01

1,4471,543
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
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atom chem shift.val: 2.96
atom chem shift.val err: 0.01

1,4471,544
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
atom chem shift.seq id: 48
atom chem shift.val: 177.6
atom chem shift.val err: 0.1

1,4471,545
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 58.6
atom chem shift.val err: 0.1

1,4471,546
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 37.3
atom chem shift.val err: 0.1

1,4471,547
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 48
atom chem shift.val: 122.1
atom chem shift.val err: 0.1

1,4471,548
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.32
atom chem shift.val err: 0.01

1,4471,549
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.34
atom chem shift.val err: 0.01

1,4471,550
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 2.34
atom chem shift.val err: 0.01

1,4471,551
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.09
atom chem shift.val err: 0.01

1,4471,552
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.01
atom chem shift.val err: 0.01

1,4471,553
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.93
atom chem shift.val err: 0.01

1,4471,554
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,555
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 179.5
atom chem shift.val err: 0.1

1,4471,556
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 65.5
atom chem shift.val err: 0.1

1,4471,557
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,558
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 28.9
atom chem shift.val err: 0.1

1,4471,559
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 50.5
atom chem shift.val err: 0.1

1,4471,560
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,561
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,562
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,563
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,564
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,565
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,566
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,567
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,568
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,569
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,570
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,571
type: atom chem shift
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1,4471,572
type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,575
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of datablock: info:bmrb/4471
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1,4471,576
type: atom chem shift
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1,4471,577
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1,4471,578
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1,4471,579
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 51
atom chem shift.val: 1.57
atom chem shift.val err: 0.01

1,4471,581
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 51
atom chem shift.val: 1.92
atom chem shift.val err: 0.01

1,4471,582
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.89
atom chem shift.val err: 0.01

1,4471,583
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.22
atom chem shift.val err: 0.01

1,4471,584
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.17
atom chem shift.val err: 0.01

1,4471,585
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,586
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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1,4471,588
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of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,589
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 29.7
atom chem shift.val err: 0.1

1,4471,590
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 42.2
atom chem shift.val err: 0.1

1,4471,591
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 118.4
atom chem shift.val err: 0.1

1,4471,592
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.67
atom chem shift.val err: 0.01

1,4471,593
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,594
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,595
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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1,4471,597
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of datablock: info:bmrb/4471
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1,4471,598
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of datablock: info:bmrb/4471
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1,4471,599
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1,4471,600
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of datablock: info:bmrb/4471
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1,4471,601
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1,4471,602
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1,4471,603
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1,4471,604
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1,4471,605
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1,4471,606
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of datablock: info:bmrb/4471
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1,4471,607
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1,4471,609
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1,4471,610
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,611
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1,4471,612
type: atom chem shift
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type: atom chem shift
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type: atom chem shift
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atom chem shift.val: 172.3
atom chem shift.val err: 0.1

1,4471,623
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 45.5
atom chem shift.val err: 0.1

1,4471,624
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 55
atom chem shift.val: 105.8
atom chem shift.val err: 0.1

1,4471,625
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 56
atom chem shift.val: 8.36
atom chem shift.val err: 0.01

1,4471,626
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.25
atom chem shift.val err: 0.01

1,4471,627
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.46
atom chem shift.val err: 0.01

1,4471,628
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,629
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 177.2
atom chem shift.val err: 0.1

1,4471,630
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 52.5
atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 44.0
atom chem shift.val err: 0.1

1,4471,632
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 117.7
atom chem shift.val err: 0.1

1,4471,633
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.16
atom chem shift.val err: 0.01

1,4471,634
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.26
atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.90
atom chem shift.val err: 0.01

1,4471,636
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,642
type: atom chem shift
of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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atom chem shift.seq id: 59
atom chem shift.val: 2.07
atom chem shift.val err: 0.01

1,4471,666
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,667
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,668
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,670
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,672
type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,675
type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
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atom chem shift.val: 178.5
atom chem shift.val err: 0.1

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type: atom chem shift
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atom chem shift.val err: 0.1

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of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,717
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,719
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,721
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
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of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val err: 0.01

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atom chem shift.val: 175.5
atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 60.7
atom chem shift.val err: 0.1

1,4471,751
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,752
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 131.1
atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,754
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,755
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 118.9
atom chem shift.val err: 0.1

1,4471,757
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 3.09
atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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atom chem shift.val: 7.39
atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val: 171.0
atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
of datablock: info:bmrb/4471
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type: atom chem shift
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type: atom chem shift
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type: atom chem shift
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atom chem shift.val: 19.4
atom chem shift.val err: 0.1

1,4471,834
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 834
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.comp id: ALA
atom chem shift.comp index id: 71
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 71
atom chem shift.val: 119.1
atom chem shift.val err: 0.1

1,4471,835
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 835
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.comp id: VAL
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: 7.34
atom chem shift.val err: 0.01

1,4471,836
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 836
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.comp id: VAL
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: 3.83
atom chem shift.val err: 0.01

1,4471,837
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 837
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.comp id: VAL
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 1.95
atom chem shift.val err: 0.01

1,4471,838
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 838
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.comp id: VAL
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 1.12
atom chem shift.val err: 0.01

1,4471,839
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 839
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.comp id: VAL
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 1.12
atom chem shift.val err: 0.01

1,4471,840
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 840
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.comp id: VAL
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 1.12
atom chem shift.val err: 0.01

1,4471,841
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 841
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.comp id: VAL
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 0.99
atom chem shift.val err: 0.01

1,4471,842
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 842
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG22
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atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 0.99
atom chem shift.val err: 0.01

1,4471,843
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 843
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
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 72
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 72
atom chem shift.val: 0.99
atom chem shift.val err: 0.01

1,4471,844
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 844
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.comp id: VAL
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: 176.4
atom chem shift.val err: 0.1

1,4471,845
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 845
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.comp id: VAL
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: 65.0
atom chem shift.val err: 0.1

1,4471,846
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 846
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.comp id: VAL
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: 33.1
atom chem shift.val err: 0.1

1,4471,847
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 847
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.comp id: VAL
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: 21.4
atom chem shift.val err: 0.1

1,4471,848
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 848
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.comp id: VAL
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: 22.9
atom chem shift.val err: 0.1

1,4471,849
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 849
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.comp id: VAL
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: 118.7
atom chem shift.val err: 0.1

1,4471,850
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 850
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.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 8.26
atom chem shift.val err: 0.01

1,4471,851
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 851
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.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 4.12
atom chem shift.val err: 0.01

1,4471,852
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 852
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.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 1.94
atom chem shift.val err: 0.01

1,4471,853
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 853
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
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 0.63
atom chem shift.val err: 0.01

1,4471,854
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 854
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
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 0.63
atom chem shift.val err: 0.01

1,4471,855
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 855
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
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 0.63
atom chem shift.val err: 0.01

1,4471,856
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 856
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.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 0.77
atom chem shift.val err: 0.01

1,4471,857
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 857
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 0.77
atom chem shift.val err: 0.01

1,4471,858
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 858
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom isotope number: 1
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 0.77
atom chem shift.val err: 0.01

1,4471,859
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 859
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.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 173.2
atom chem shift.val err: 0.1

1,4471,860
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 860
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.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 60.5
atom chem shift.val err: 0.1

1,4471,861
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 861
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.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 31.2
atom chem shift.val err: 0.1

1,4471,862
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 862
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.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 21.6
atom chem shift.val err: 0.1

1,4471,863
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 863
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.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 20.9
atom chem shift.val err: 0.1

1,4471,864
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 864
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.comp id: VAL
atom chem shift.comp index id: 73
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 73
atom chem shift.val: 122.0
atom chem shift.val err: 0.1

1,4471,865
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 865
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 8.10
atom chem shift.val err: 0.01

1,4471,866
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 866
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 4.17
atom chem shift.val err: 0.01

1,4471,867
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 867
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 1.65
atom chem shift.val err: 0.01

1,4471,868
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 868
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 1.65
atom chem shift.val err: 0.01

1,4471,869
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 869
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 1.34
atom chem shift.val err: 0.01

1,4471,870
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 870
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 1.40
atom chem shift.val err: 0.01

1,4471,871
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 871
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 1.67
atom chem shift.val err: 0.01

1,4471,872
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 872
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 1.67
atom chem shift.val err: 0.01

1,4471,873
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 873
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 74
atom chem shift.val: 2.97
atom chem shift.val err: 0.01

1,4471,874
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 74
atom chem shift.val: 2.97
atom chem shift.val err: 0.01

1,4471,875
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 875
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.atom type: C
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atom chem shift.comp index id: 74
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 74
atom chem shift.val: 178.3
atom chem shift.val err: 0.1

1,4471,876
type: atom chem shift
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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atom chem shift.seq id: 78
atom chem shift.val: -2.51
atom chem shift.val err: 0.01

1,4471,919
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.seq id: 78
atom chem shift.val: -0.06
atom chem shift.val err: 0.01

1,4471,920
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: -1.94
atom chem shift.val err: 0.01

1,4471,921
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.seq id: 78
atom chem shift.val: -3.76
atom chem shift.val err: 0.01

1,4471,922
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: -3.36
atom chem shift.val err: 0.01

1,4471,923
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,925
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 176.1
atom chem shift.val err: 0.1

1,4471,926
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 56.2
atom chem shift.val err: 0.1

1,4471,927
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 27.9
atom chem shift.val err: 0.1

1,4471,928
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 27.2
atom chem shift.val err: 0.1

1,4471,929
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 16.3
atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 124.0
atom chem shift.val err: 0.1

1,4471,931
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.14
atom chem shift.val err: 0.01

1,4471,932
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,936
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 174.1
atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,939
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val: 1.09
atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val err: 0.01

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type: atom chem shift
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atom chem shift.val: 177.1
atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 100.1
atom chem shift.val err: 0.1

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type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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of datablock: info:bmrb/4471
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atom chem shift.comp index id: 84
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 84
atom chem shift.val: 51.2
atom chem shift.val err: 0.1

1,4471,1003
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1003
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 8.61
atom chem shift.val err: 0.01

1,4471,1004
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1004
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 4.57
atom chem shift.val err: 0.01

1,4471,1005
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1005
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 1.94
atom chem shift.val err: 0.01

1,4471,1006
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1006
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 1.90
atom chem shift.val err: 0.01

1,4471,1007
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1007
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 1.45
atom chem shift.val err: 0.01

1,4471,1008
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1008
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 1.59
atom chem shift.val err: 0.01

1,4471,1009
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1009
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atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 1.75
atom chem shift.val err: 0.01

1,4471,1010
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1010
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 1.75
atom chem shift.val err: 0.01

1,4471,1011
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1011
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 3.03
atom chem shift.val err: 0.01

1,4471,1012
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1012
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 3.03
atom chem shift.val err: 0.01

1,4471,1013
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1013
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 177.6
atom chem shift.val err: 0.1

1,4471,1014
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1014
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atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 56.0
atom chem shift.val err: 0.1

1,4471,1015
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1015
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 32.2
atom chem shift.val err: 0.1

1,4471,1016
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1016
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atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 24.9
atom chem shift.val err: 0.1

1,4471,1017
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1017
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 28.9
atom chem shift.val err: 0.1

1,4471,1018
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1018
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 42.2
atom chem shift.val err: 0.1

1,4471,1019
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1019
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: LYS
atom chem shift.comp index id: 85
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 85
atom chem shift.val: 119.1
atom chem shift.val err: 0.1

1,4471,1020
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1020
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 8.90
atom chem shift.val err: 0.01

1,4471,1021
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1021
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 3.74
atom chem shift.val err: 0.01

1,4471,1022
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1022
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 86
atom chem shift.val: 1.89
atom chem shift.val err: 0.01

1,4471,1023
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1023
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 1.22
atom chem shift.val err: 0.01

1,4471,1024
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1024
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 1.63
atom chem shift.val err: 0.01

1,4471,1025
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1025
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 1.00
atom chem shift.val err: 0.01

1,4471,1026
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1026
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 1.00
atom chem shift.val err: 0.01

1,4471,1027
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1027
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 1.00
atom chem shift.val err: 0.01

1,4471,1028
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1028
atom chem shift.ambiguity code: 1
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atom chem shift.val: 0.90
atom chem shift.val err: 0.01

1,4471,1029
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1029
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 0.90
atom chem shift.val err: 0.01

1,4471,1030
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1030
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 0.90
atom chem shift.val err: 0.01

1,4471,1031
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1031
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 176.7
atom chem shift.val err: 0.1

1,4471,1032
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1032
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 65.0
atom chem shift.val err: 0.1

1,4471,1033
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1033
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atom chem shift.comp index id: 86
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atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 37.9
atom chem shift.val err: 0.1

1,4471,1034
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1034
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atom chem shift.entity id: 1
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atom chem shift.val: 29.4
atom chem shift.val err: 0.1

1,4471,1035
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1035
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 16.4
atom chem shift.val err: 0.1

1,4471,1036
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1036
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 14.1
atom chem shift.val err: 0.1

1,4471,1037
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1037
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 86
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 86
atom chem shift.val: 128.3
atom chem shift.val err: 0.1

1,4471,1038
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1038
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 9.06
atom chem shift.val err: 0.01

1,4471,1039
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1039
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 4.15
atom chem shift.val err: 0.01

1,4471,1040
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1040
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 2.03
atom chem shift.val err: 0.01

1,4471,1041
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1041
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 2.03
atom chem shift.val err: 0.01

1,4471,1042
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity id: 1
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atom chem shift.val: 2.48
atom chem shift.val err: 0.01

1,4471,1043
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1043
atom chem shift.ambiguity code: 1
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atom chem shift.val: 2.48
atom chem shift.val err: 0.01

1,4471,1044
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.comp id: GLU
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 178.2
atom chem shift.val err: 0.1

1,4471,1045
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1045
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.comp id: GLU
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 60.0
atom chem shift.val err: 0.1

1,4471,1046
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1046
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.comp id: GLU
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 28.7
atom chem shift.val err: 0.1

1,4471,1047
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1047
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.comp id: GLU
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 36.4
atom chem shift.val err: 0.1

1,4471,1048
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1048
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.comp id: GLU
atom chem shift.comp index id: 87
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 87
atom chem shift.val: 120.8
atom chem shift.val err: 0.1

1,4471,1049
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1049
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.comp id: ASP
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 6.73
atom chem shift.val err: 0.01

1,4471,1050
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1050
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.comp id: ASP
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 4.53
atom chem shift.val err: 0.01

1,4471,1051
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1051
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.comp id: ASP
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 3.03
atom chem shift.val err: 0.01

1,4471,1052
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1052
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.comp id: ASP
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 2.72
atom chem shift.val err: 0.01

1,4471,1053
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1053
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.comp id: ASP
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 178.5
atom chem shift.val err: 0.1

1,4471,1054
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1054
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.comp id: ASP
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 57.5
atom chem shift.val err: 0.1

1,4471,1055
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1055
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.comp id: ASP
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 40.4
atom chem shift.val err: 0.1

1,4471,1056
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1056
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.comp id: ASP
atom chem shift.comp index id: 88
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 88
atom chem shift.val: 116.7
atom chem shift.val err: 0.1

1,4471,1057
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1057
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 7.45
atom chem shift.val err: 0.01

1,4471,1058
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1058
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 3.91
atom chem shift.val err: 0.01

1,4471,1059
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1059
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 2.35
atom chem shift.val err: 0.01

1,4471,1060
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1060
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 1.47
atom chem shift.val err: 0.01

1,4471,1061
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1061
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 1.21
atom chem shift.val err: 0.01

1,4471,1062
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1062
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 2.06
atom chem shift.val err: 0.01

1,4471,1063
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1063
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 3.25
atom chem shift.val err: 0.01

1,4471,1064
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1064
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 3.53
atom chem shift.val err: 0.01

1,4471,1065
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1065
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HE
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 7.38
atom chem shift.val err: 0.01

1,4471,1066
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1066
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HH11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 6.73
atom chem shift.val err: 0.01

1,4471,1067
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1067
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HH12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 6.73
atom chem shift.val err: 0.01

1,4471,1068
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1068
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 177.5
atom chem shift.val err: 0.1

1,4471,1069
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1069
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 61.2
atom chem shift.val err: 0.1

1,4471,1070
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1070
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 31.7
atom chem shift.val err: 0.1

1,4471,1071
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1071
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 30.4
atom chem shift.val err: 0.1

1,4471,1072
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1072
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 44.0
atom chem shift.val err: 0.1

1,4471,1073
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1073
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.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 117.4
atom chem shift.val err: 0.1

1,4471,1074
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1074
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NE
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 81.6
atom chem shift.val err: 0.1

1,4471,1075
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1075
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: NH1
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.comp id: ARG
atom chem shift.comp index id: 89
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 89
atom chem shift.val: 71.6
atom chem shift.val err: 0.1

1,4471,1076
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1076
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.comp id: ALA
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 8.89
atom chem shift.val err: 0.01

1,4471,1077
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1077
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.comp id: ALA
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 3.99
atom chem shift.val err: 0.01

1,4471,1078
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1078
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.comp id: ALA
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 1.48
atom chem shift.val err: 0.01

1,4471,1079
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1079
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.comp id: ALA
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 1.48
atom chem shift.val err: 0.01

1,4471,1080
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1080
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.comp id: ALA
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 1.48
atom chem shift.val err: 0.01

1,4471,1081
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1081
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.comp id: ALA
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 181.2
atom chem shift.val err: 0.1

1,4471,1082
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1082
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.comp id: ALA
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 55.2
atom chem shift.val err: 0.1

1,4471,1083
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1083
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.comp id: ALA
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 18.4
atom chem shift.val err: 0.1

1,4471,1084
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1084
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.comp id: ALA
atom chem shift.comp index id: 90
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 90
atom chem shift.val: 119.9
atom chem shift.val err: 0.1

1,4471,1085
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1085
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.comp id: ASN
atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 8.70
atom chem shift.val err: 0.01

1,4471,1086
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1086
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
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atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 4.39
atom chem shift.val err: 0.01

1,4471,1087
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1087
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 2.90
atom chem shift.val err: 0.01

1,4471,1088
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1088
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 91
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 2.80
atom chem shift.val err: 0.01

1,4471,1089
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1089
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 7.41
atom chem shift.val err: 0.01

1,4471,1090
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1090
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 8.16
atom chem shift.val err: 0.01

1,4471,1091
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1091
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atom chem shift.entity id: 1
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atom chem shift.val: 177.6
atom chem shift.val err: 0.1

1,4471,1092
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 56.0
atom chem shift.val err: 0.1

1,4471,1093
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1093
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 36.7
atom chem shift.val err: 0.1

1,4471,1094
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1094
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 118.1
atom chem shift.val err: 0.1

1,4471,1095
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1095
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 91
atom chem shift.val: 114.8
atom chem shift.val err: 0.1

1,4471,1096
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1096
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atom chem shift.entity id: 1
atom chem shift.seq id: 92
atom chem shift.val: 8.49
atom chem shift.val err: 0.01

1,4471,1097
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1097
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atom chem shift.seq id: 92
atom chem shift.val: 4.25
atom chem shift.val err: 0.01

1,4471,1098
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 2.32
atom chem shift.val err: 0.01

1,4471,1099
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 2.32
atom chem shift.val err: 0.01

1,4471,1100
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 1.91
atom chem shift.val err: 0.01

1,4471,1101
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 1.48
atom chem shift.val err: 0.01

1,4471,1102
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 1.48
atom chem shift.val err: 0.01

1,4471,1103
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 1.48
atom chem shift.val err: 0.01

1,4471,1104
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 1.48
atom chem shift.val err: 0.01

1,4471,1105
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 1.48
atom chem shift.val err: 0.01

1,4471,1106
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1107
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 178.3
atom chem shift.val err: 0.1

1,4471,1108
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 58.5
atom chem shift.val err: 0.1

1,4471,1109
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 41.4
atom chem shift.val err: 0.1

1,4471,1110
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 27.9
atom chem shift.val err: 0.1

1,4471,1111
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,1112
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 24.4
atom chem shift.val err: 0.1

1,4471,1113
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1113
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atom chem shift.val: 122.6
atom chem shift.val err: 0.1

1,4471,1114
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 8.68
atom chem shift.val err: 0.01

1,4471,1115
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 3.56
atom chem shift.val err: 0.01

1,4471,1116
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1117
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1118
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1119
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1120
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1121
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1122
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1123
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1124
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1125
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1126
type: atom chem shift
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1,4471,1127
type: atom chem shift
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1,4471,1128
type: atom chem shift
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atom chem shift.seq id: 93
atom chem shift.val: 30.9
atom chem shift.val err: 0.1

1,4471,1129
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 17.1
atom chem shift.val err: 0.1

1,4471,1130
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1130
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 14.9
atom chem shift.val err: 0.1

1,4471,1131
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1131
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 93
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 93
atom chem shift.val: 120.7
atom chem shift.val err: 0.1

1,4471,1132
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1132
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 7.89
atom chem shift.val err: 0.01

1,4471,1133
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1133
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atom chem shift.val: 4.18
atom chem shift.val err: 0.01

1,4471,1134
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,1135
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,1136
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1137
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 94
atom chem shift.val: 180.4
atom chem shift.val err: 0.1

1,4471,1138
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1138
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atom chem shift.val: 55.0
atom chem shift.val err: 0.1

1,4471,1139
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 17.9
atom chem shift.val err: 0.1

1,4471,1140
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1140
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 94
atom chem shift.val: 121.1
atom chem shift.val err: 0.1

1,4471,1141
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 8.15
atom chem shift.val err: 0.01

1,4471,1142
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 4.32
atom chem shift.val err: 0.01

1,4471,1143
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 3.72
atom chem shift.val err: 0.01

1,4471,1144
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 3.30
atom chem shift.val err: 0.01

1,4471,1145
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 6.88
atom chem shift.val err: 0.01

1,4471,1146
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 6.88
atom chem shift.val err: 0.01

1,4471,1147
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 6.27
atom chem shift.val err: 0.01

1,4471,1148
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 6.27
atom chem shift.val err: 0.01

1,4471,1149
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 95
atom chem shift.val: 178.5
atom chem shift.val err: 0.1

1,4471,1150
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1150
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atom chem shift.val: 61.1
atom chem shift.val err: 0.1

1,4471,1151
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 37.7
atom chem shift.val err: 0.1

1,4471,1152
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 132.7
atom chem shift.val err: 0.1

1,4471,1153
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,1154
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val: 114.9
atom chem shift.val err: 0.1

1,4471,1155
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 114.9
atom chem shift.val err: 0.1

1,4471,1156
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 118.9
atom chem shift.val err: 0.1

1,4471,1157
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.90
atom chem shift.val err: 0.01

1,4471,1158
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 3.55
atom chem shift.val err: 0.01

1,4471,1159
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.01

1,4471,1160
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1161
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1162
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1163
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1164
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1165
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1166
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1167
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1168
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,1169
type: atom chem shift
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atom chem shift.val err: 0.1

1,4471,1170
type: atom chem shift
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atom chem shift.val: 41.4
atom chem shift.val err: 0.1

1,4471,1171
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,1172
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val err: 0.1

1,4471,1173
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 22.1
atom chem shift.val err: 0.1

1,4471,1174
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1174
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atom chem shift.val: 119.7
atom chem shift.val err: 0.1

1,4471,1175
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
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atom chem shift.val: 8.60
atom chem shift.val err: 0.01

1,4471,1176
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1177
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1178
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1179
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1180
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.01

1,4471,1181
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,1182
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,1183
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.1

1,4471,1184
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,1185
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,1186
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
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1,4471,1187
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1188
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1189
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,1190
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1191
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,1192
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1193
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1194
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.01

1,4471,1195
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1196
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1197
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1198
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1199
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1200
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1201
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1202
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1203
type: atom chem shift
of datablock: info:bmrb/4471
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atom chem shift.val err: 0.1

1,4471,1204
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1205
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1206
type: atom chem shift
of datablock: info:bmrb/4471
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1,4471,1207
type: atom chem shift
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1,4471,1208
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1,4471,1209
type: atom chem shift
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1,4471,1210
type: atom chem shift
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1,4471,1211
type: atom chem shift
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1,4471,1212
type: atom chem shift
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atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 2.26
atom chem shift.val err: 0.01

1,4471,1213
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1213
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 6.82
atom chem shift.val err: 0.01

1,4471,1214
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1214
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 7.42
atom chem shift.val err: 0.01

1,4471,1215
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1215
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 180.5
atom chem shift.val err: 0.1

1,4471,1216
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1216
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 57.7
atom chem shift.val err: 0.1

1,4471,1217
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1217
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 100
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atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 30.5
atom chem shift.val err: 0.1

1,4471,1218
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1218
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 33.7
atom chem shift.val err: 0.1

1,4471,1219
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1219
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 180.8
atom chem shift.val err: 0.1

1,4471,1220
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1220
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 125.7
atom chem shift.val err: 0.1

1,4471,1221
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4471
atom chem shift.id: 1221
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 100
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 100
atom chem shift.val: 112.1
atom chem shift.val err: 0.1

2,4471,1222
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1222
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 97.0
atom chem shift.val err: 0.1

2,4471,1223
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1223
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 9.53
atom chem shift.val err: 0.01

2,4471,1224
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1224
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 99.4
atom chem shift.val err: 0.1

2,4471,1225
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1225
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 9.04
atom chem shift.val err: 0.01

2,4471,1226
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1226
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atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 98.9
atom chem shift.val err: 0.1

2,4471,1227
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1227
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 8.96
atom chem shift.val err: 0.01

2,4471,1228
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1228
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 100.2
atom chem shift.val err: 0.1

2,4471,1229
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1229
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 9.73
atom chem shift.val err: 0.01

2,4471,1230
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1230
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 24.6
atom chem shift.val err: 0.1

2,4471,1231
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1231
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 4.32
atom chem shift.val err: 0.01

2,4471,1232
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1232
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.97
atom chem shift.val err: 0.01

2,4471,1233
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1233
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 24.7
atom chem shift.val err: 0.1

2,4471,1234
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1234
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 2.83
atom chem shift.val err: 0.01

2,4471,1235
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1235
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 2.67
atom chem shift.val err: 0.01

2,4471,1236
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1236
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 34.9
atom chem shift.val err: 0.1

2,4471,1237
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1237
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 4.77
atom chem shift.val err: 0.01

2,4471,1238
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1238
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 38.6
atom chem shift.val err: 0.1

2,4471,1239
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1239
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 6.40
atom chem shift.val err: 0.01

2,4471,1240
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1240
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 25.5
atom chem shift.val err: 0.1

2,4471,1241
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1241
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 4.48
atom chem shift.val err: 0.01

2,4471,1242
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1242
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 4.26
atom chem shift.val err: 0.01

2,4471,1243
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1243
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 25.8
atom chem shift.val err: 0.1

2,4471,1244
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1244
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.26
atom chem shift.val err: 0.01

2,4471,1245
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1245
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 2.61
atom chem shift.val err: 0.01

2,4471,1246
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1246
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 12.4
atom chem shift.val err: 0.1

2,4471,1247
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1247
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 16.1
atom chem shift.val err: 0.1

2,4471,1248
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1248
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 24.9
atom chem shift.val err: 0.1

2,4471,1249
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1249
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 15.0
atom chem shift.val err: 0.1

2,4471,1250
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1250
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 23.0
atom chem shift.val err: 0.1

2,4471,1251
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1251
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atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 14.6
atom chem shift.val err: 0.1

2,4471,1252
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1252
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 2.10
atom chem shift.val err: 0.01

2,4471,1253
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1253
atom chem shift.ambiguity code: 1
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atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.41
atom chem shift.val err: 0.01

2,4471,1254
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1254
atom chem shift.ambiguity code: 1
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atom chem shift.atom id: HBB
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 1.63
atom chem shift.val err: 0.01

2,4471,1255
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1255
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMC
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.85
atom chem shift.val err: 0.01

2,4471,1256
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1256
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HBC
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 2.53
atom chem shift.val err: 0.01

2,4471,1257
type: atom chem shift
of datablock: info:bmrb/4471
atom chem shift.assigned chem shift list id: 2
atom chem shift.entry id: 4471
atom chem shift.id: 1257
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HMD
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: HEM
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.57
atom chem shift.val err: 0.01

1,4471,1
type: bond
of datablock: info:bmrb/4471
bond.assembly id: 1
bond.entry id: 4471
bond.id: 1
bond.atom id 1: CAB
bond.atom id 2: SG
bond.comp id 1: HEM
bond.comp id 2: CYS
bond.comp index id 1: 1
bond.comp index id 2: 14
bond.entity assembly id 1: 2
bond.entity assembly id 2: 1
bond.entity id 1: 2
bond.entity id 2: 1
bond.seq id 1: 1
bond.seq id 2: 14
bond.type: na
bond.value order: sing

1,4471,2
type: bond
of datablock: info:bmrb/4471
bond.assembly id: 1
bond.entry id: 4471
bond.id: 2
bond.atom id 1: CAC
bond.atom id 2: SG
bond.comp id 1: HEM
bond.comp id 2: CYS
bond.comp index id 1: 1
bond.comp index id 2: 17
bond.entity assembly id 1: 2
bond.entity assembly id 2: 1
bond.entity id 1: 2
bond.entity id 2: 1
bond.seq id 1: 1
bond.seq id 2: 17
bond.type: na
bond.value order: sing

1,4471,3
type: bond
of datablock: info:bmrb/4471
bond.assembly id: 1
bond.entry id: 4471
bond.id: 3
bond.atom id 1: FE
bond.atom id 2: NE2
bond.comp id 1: HEM
bond.comp id 2: HIS
bond.comp index id 1: 1
bond.comp index id 2: 18
bond.entity assembly id 1: 2
bond.entity assembly id 2: 1
bond.entity id 1: 2
bond.entity id 2: 1
bond.seq id 1: 1
bond.seq id 2: 18
bond.type: metal coordination
bond.value order: sing

1,4471,4
type: bond
of datablock: info:bmrb/4471
bond.assembly id: 1
bond.entry id: 4471
bond.id: 4
bond.atom id 1: FE
bond.atom id 2: SD
bond.comp id 1: HEM
bond.comp id 2: MET
bond.comp index id 1: 1
bond.comp index id 2: 78
bond.entity assembly id 1: 2
bond.entity assembly id 2: 1
bond.entity id 1: 2
bond.entity id 2: 1
bond.seq id 1: 1
bond.seq id 2: 78
bond.type: metal coordination
bond.value order: sing

4471,HEM
type: chem comp
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp.entry id: 4471
chem comp.id: HEM
chem comp.ambiguous flag: yes
chem comp.aromatic: yes
chem comp.details: Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 18 13:17:06 2011
chem comp.formal charge: 0
chem comp.formula: C34 H32 Fe N4 O4
chem comp.formula weight: 616.487
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates db code: 3IA3
chem comp.model coordinates missing flag: no
chem comp.modified date: 2009-08-10Z
chem comp.name: PROTOPORPHYRIN IX CONTAINING FE
chem comp.pdb code: HEM
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.replaces: MHM
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_HEM
chem comp.synonyms: HEME
chem comp.three letter code: HEM
chem comp.type: NON-POLYMER

info:pdb-ccd/HEM

urn:miriam:pdb-ccd:HEM

info:pdb.ligand/HEM

urn:miriam:pdb.ligand:HEM

CHA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CHA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.748
chem comp atom.model cartn x ideal: -2.161
chem comp atom.model cartn y: -19.531
chem comp atom.model cartn y ideal: -0.125
chem comp atom.model cartn z: 39.896
chem comp atom.model cartn z ideal: 0.490
chem comp atom.pdb atom id: CHA
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CHB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.258
chem comp atom.model cartn x ideal: 1.458
chem comp atom.model cartn y: -17.744
chem comp atom.model cartn y ideal: -3.419
chem comp atom.model cartn z: 35.477
chem comp atom.model cartn z ideal: 0.306
chem comp atom.pdb atom id: CHB
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHC,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CHC
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.703
chem comp atom.model cartn x ideal: 4.701
chem comp atom.model cartn y: -21.900
chem comp atom.model cartn y ideal: 0.169
chem comp atom.model cartn z: 33.637
chem comp atom.model cartn z ideal: -0.069
chem comp atom.pdb atom id: CHC
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CHD,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CHD
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.149
chem comp atom.model cartn x ideal: 1.075
chem comp atom.model cartn y: -23.677
chem comp atom.model cartn y ideal: 3.460
chem comp atom.model cartn z: 38.059
chem comp atom.model cartn z ideal: 0.018
chem comp atom.pdb atom id: CHD
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C1A,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C1A
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.031
chem comp atom.model cartn x ideal: -1.436
chem comp atom.model cartn y: -18.673
chem comp atom.model cartn y ideal: -1.305
chem comp atom.model cartn z: 38.872
chem comp atom.model cartn z ideal: 0.380
chem comp atom.pdb atom id: C1A
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2A,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.578
chem comp atom.model cartn x ideal: -2.015
chem comp atom.model cartn y: -17.325
chem comp atom.model cartn y ideal: -2.587
chem comp atom.model cartn z: 39.013
chem comp atom.model cartn z ideal: 0.320
chem comp atom.pdb atom id: C2A
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3A,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C3A
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.705
chem comp atom.model cartn x ideal: -1.009
chem comp atom.model cartn y: -16.820
chem comp atom.model cartn y ideal: -3.500
chem comp atom.model cartn z: 37.785
chem comp atom.model cartn z ideal: 0.270
chem comp atom.pdb atom id: C3A
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4A,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C4A
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.256
chem comp atom.model cartn x ideal: 0.216
chem comp atom.model cartn y: -17.863
chem comp atom.model cartn y ideal: -2.803
chem comp atom.model cartn z: 36.862
chem comp atom.model cartn z ideal: 0.298
chem comp atom.pdb atom id: C4A
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CMA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.227
chem comp atom.model cartn x ideal: -1.175
chem comp atom.model cartn y: -15.469
chem comp atom.model cartn y ideal: -4.996
chem comp atom.model cartn z: 37.393
chem comp atom.model cartn z ideal: 0.197
chem comp atom.pdb atom id: CMA
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.945
chem comp atom.model cartn x ideal: -3.490
chem comp atom.model cartn y: -16.670
chem comp atom.model cartn y ideal: -2.893
chem comp atom.model cartn z: 40.296
chem comp atom.model cartn z ideal: 0.314
chem comp atom.pdb atom id: CAA
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.391
chem comp atom.model cartn x ideal: -3.998
chem comp atom.model cartn y: -17.138
chem comp atom.model cartn y ideal: -2.926
chem comp atom.model cartn z: 40.581
chem comp atom.model cartn z ideal: -1.129
chem comp atom.pdb atom id: CBA
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CGA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CGA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.095
chem comp atom.model cartn x ideal: -5.473
chem comp atom.model cartn y: -16.663
chem comp atom.model cartn y ideal: -3.232
chem comp atom.model cartn z: 41.825
chem comp atom.model cartn z ideal: -1.136
chem comp atom.pdb atom id: CGA
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O1A,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: O1A
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 7.098
chem comp atom.model cartn x ideal: -6.059
chem comp atom.model cartn y: -15.928
chem comp atom.model cartn y ideal: -3.405
chem comp atom.model cartn z: 41.683
chem comp atom.model cartn z ideal: -0.094
chem comp atom.pdb atom id: O1A
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2A,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: O2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.657
chem comp atom.model cartn x ideal: -6.137
chem comp atom.model cartn y: -17.040
chem comp atom.model cartn y ideal: -3.311
chem comp atom.model cartn z: 42.940
chem comp atom.model cartn z ideal: -2.300
chem comp atom.pdb atom id: O2A
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: O

C1B,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C1B
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.888
chem comp atom.model cartn x ideal: 2.664
chem comp atom.model cartn y: -18.698
chem comp atom.model cartn y ideal: -2.707
chem comp atom.model cartn z: 34.579
chem comp atom.model cartn z ideal: 0.308
chem comp atom.pdb atom id: C1B
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2B,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C2B
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.933
chem comp atom.model cartn x ideal: 3.937
chem comp atom.model cartn y: -18.535
chem comp atom.model cartn y ideal: -3.328
chem comp atom.model cartn z: 33.146
chem comp atom.model cartn z ideal: 0.418
chem comp atom.pdb atom id: C2B
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3B,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C3B
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.499
chem comp atom.model cartn x ideal: 4.874
chem comp atom.model cartn y: -19.716
chem comp atom.model cartn y ideal: -2.341
chem comp atom.model cartn z: 32.632
chem comp atom.model cartn z ideal: 0.314
chem comp atom.pdb atom id: C3B
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4B,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C4B
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.187
chem comp atom.model cartn x ideal: 4.117
chem comp atom.model cartn y: -20.580
chem comp atom.model cartn y ideal: -1.079
chem comp atom.model cartn z: 33.743
chem comp atom.model cartn z ideal: 0.139
chem comp atom.pdb atom id: C4B
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CMB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.391
chem comp atom.model cartn x ideal: 4.203
chem comp atom.model cartn y: -17.290
chem comp atom.model cartn y ideal: -4.798
chem comp atom.model cartn z: 32.422
chem comp atom.model cartn z ideal: 0.613
chem comp atom.pdb atom id: CMB
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.345
chem comp atom.model cartn x ideal: 6.339
chem comp atom.model cartn y: -20.140
chem comp atom.model cartn y ideal: -2.497
chem comp atom.model cartn z: 31.217
chem comp atom.model cartn z ideal: 0.365
chem comp atom.pdb atom id: CAB
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.755
chem comp atom.model cartn x ideal: 6.935
chem comp atom.model cartn y: -19.492
chem comp atom.model cartn y ideal: -3.419
chem comp atom.model cartn z: 30.233
chem comp atom.model cartn z ideal: -0.385
chem comp atom.pdb atom id: CBB
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C1C,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C1C
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.395
chem comp atom.model cartn x ideal: 3.964
chem comp atom.model cartn y: -22.786
chem comp atom.model cartn y ideal: 1.345
chem comp atom.model cartn z: 34.659
chem comp atom.model cartn z ideal: -0.174
chem comp atom.pdb atom id: C1C
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2C,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C2C
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.854
chem comp atom.model cartn x ideal: 4.531
chem comp atom.model cartn y: -24.130
chem comp atom.model cartn y ideal: 2.601
chem comp atom.model cartn z: 34.500
chem comp atom.model cartn z ideal: -0.445
chem comp atom.pdb atom id: C2C
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3C,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C3C
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.689
chem comp atom.model cartn x ideal: 3.510
chem comp atom.model cartn y: -24.626
chem comp atom.model cartn y ideal: 3.536
chem comp atom.model cartn z: 35.757
chem comp atom.model cartn z ideal: -0.437
chem comp atom.pdb atom id: C3C
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4C,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C4C
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.139
chem comp atom.model cartn x ideal: 2.304
chem comp atom.model cartn y: -23.583
chem comp atom.model cartn y ideal: 2.846
chem comp atom.model cartn z: 36.674
chem comp atom.model cartn z ideal: -0.139
chem comp atom.pdb atom id: C4C
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMC,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CMC
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.550
chem comp atom.model cartn x ideal: 5.991
chem comp atom.model cartn y: -24.782
chem comp atom.model cartn y ideal: 2.880
chem comp atom.model cartn z: 33.175
chem comp atom.model cartn z ideal: -0.697
chem comp atom.pdb atom id: CMC
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAC,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CAC
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.164
chem comp atom.model cartn x ideal: 3.649
chem comp atom.model cartn y: -25.943
chem comp atom.model cartn y ideal: 4.981
chem comp atom.model cartn z: 36.196
chem comp atom.model cartn z ideal: -0.692
chem comp atom.pdb atom id: CAC
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBC,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CBC
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.498
chem comp atom.model cartn x ideal: 4.201
chem comp atom.model cartn y: -27.158
chem comp atom.model cartn y ideal: 5.407
chem comp atom.model cartn z: 35.750
chem comp atom.model cartn z ideal: -1.823
chem comp atom.pdb atom id: CBC
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C1D,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C1D
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.550
chem comp atom.model cartn x ideal: -0.102
chem comp atom.model cartn y: -22.718
chem comp atom.model cartn y ideal: 2.753
chem comp atom.model cartn z: 38.980
chem comp atom.model cartn z ideal: 0.298
chem comp atom.pdb atom id: C1D
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2D,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.513
chem comp atom.model cartn x ideal: -1.382
chem comp atom.model cartn y: -22.879
chem comp atom.model cartn y ideal: 3.388
chem comp atom.model cartn z: 40.415
chem comp atom.model cartn z ideal: 0.641
chem comp atom.pdb atom id: C2D
chem comp atom.pdbx ordinal: 30
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C3D,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C3D
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.951
chem comp atom.model cartn x ideal: -2.283
chem comp atom.model cartn y: -21.691
chem comp atom.model cartn y ideal: 2.389
chem comp atom.model cartn z: 40.929
chem comp atom.model cartn z ideal: 0.774
chem comp atom.pdb atom id: C3D
chem comp atom.pdbx ordinal: 31
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4D,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: C4D
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.277
chem comp atom.model cartn x ideal: -1.561
chem comp atom.model cartn y: -20.826
chem comp atom.model cartn y ideal: 1.137
chem comp atom.model cartn z: 39.811
chem comp atom.model cartn z ideal: 0.511
chem comp atom.pdb atom id: C4D
chem comp atom.pdbx ordinal: 32
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CMD,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CMD
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.055
chem comp atom.model cartn x ideal: -1.639
chem comp atom.model cartn y: -24.094
chem comp atom.model cartn y ideal: 4.863
chem comp atom.model cartn z: 41.156
chem comp atom.model cartn z ideal: 0.811
chem comp atom.pdb atom id: CMD
chem comp atom.pdbx ordinal: 33
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CAD,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CAD
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.048
chem comp atom.model cartn x ideal: -3.741
chem comp atom.model cartn y: -21.326
chem comp atom.model cartn y ideal: 2.532
chem comp atom.model cartn z: 42.352
chem comp atom.model cartn z ideal: 1.123
chem comp atom.pdb atom id: CAD
chem comp atom.pdbx ordinal: 34
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CBD,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CBD
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.741
chem comp atom.model cartn x ideal: -4.573
chem comp atom.model cartn y: -20.498
chem comp atom.model cartn y ideal: 2.563
chem comp atom.model cartn z: 42.530
chem comp atom.model cartn z ideal: -0.160
chem comp atom.pdb atom id: CBD
chem comp atom.pdbx ordinal: 35
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CGD,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: CGD
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.578
chem comp atom.model cartn x ideal: -6.032
chem comp atom.model cartn y: -19.987
chem comp atom.model cartn y ideal: 2.706
chem comp atom.model cartn z: 43.892
chem comp atom.model cartn z ideal: 0.189
chem comp atom.pdb atom id: CGD
chem comp atom.pdbx ordinal: 36
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O1D,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: O1D
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.387
chem comp atom.model cartn x ideal: -6.372
chem comp atom.model cartn y: -19.103
chem comp atom.model cartn y ideal: 2.776
chem comp atom.model cartn z: 44.303
chem comp atom.model cartn z ideal: 1.347
chem comp atom.pdb atom id: O1D
chem comp atom.pdbx ordinal: 37
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2D,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: O2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.401
chem comp atom.model cartn x ideal: -6.954
chem comp atom.model cartn y: -20.468
chem comp atom.model cartn y ideal: 2.755
chem comp atom.model cartn z: 44.537
chem comp atom.model cartn z ideal: -0.785
chem comp atom.pdb atom id: O2D
chem comp atom.pdbx ordinal: 38
chem comp atom.stereo config: N
chem comp atom.type symbol: O

NA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: NA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.863
chem comp atom.model cartn x ideal: -0.068
chem comp atom.model cartn y: -18.969
chem comp atom.model cartn y ideal: -1.456
chem comp atom.model cartn z: 37.554
chem comp atom.model cartn z ideal: 0.321
chem comp atom.pdb atom id: NA
chem comp atom.pdbx ordinal: 39
chem comp atom.stereo config: N
chem comp atom.type symbol: N

NB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: NB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.439
chem comp atom.model cartn x ideal: 2.820
chem comp atom.model cartn y: -19.944
chem comp atom.model cartn y ideal: -1.386
chem comp atom.model cartn z: 34.911
chem comp atom.model cartn z ideal: 0.207
chem comp atom.pdb atom id: NB
chem comp atom.pdbx ordinal: 40
chem comp atom.stereo config: N
chem comp atom.type symbol: N

NC,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: NC
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.537
chem comp atom.model cartn x ideal: 2.604
chem comp atom.model cartn y: -22.509
chem comp atom.model cartn y ideal: 1.506
chem comp atom.model cartn z: 35.976
chem comp atom.model cartn z ideal: -0.033
chem comp atom.pdb atom id: NC
chem comp atom.pdbx ordinal: 41
chem comp atom.stereo config: N
chem comp atom.type symbol: N

ND,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: ND
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.008
chem comp atom.model cartn x ideal: -0.276
chem comp atom.model cartn y: -21.465
chem comp atom.model cartn y ideal: 1.431
chem comp atom.model cartn z: 38.663
chem comp atom.model cartn z ideal: 0.298
chem comp atom.pdb atom id: ND
chem comp atom.pdbx ordinal: 42
chem comp atom.stereo config: N
chem comp atom.type symbol: N

FE,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: FE
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.196
chem comp atom.model cartn x ideal: 1.010
chem comp atom.model cartn y: -20.749
chem comp atom.model cartn y ideal: 0.157
chem comp atom.model cartn z: 36.814
chem comp atom.model cartn z ideal: -0.060
chem comp atom.pdb atom id: FE
chem comp atom.pdbx ordinal: 43
chem comp atom.stereo config: S
chem comp atom.type symbol: FE

HHB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HHB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.587
chem comp atom.model cartn x ideal: 1.498
chem comp atom.model cartn y: -16.798
chem comp atom.model cartn y ideal: -4.508
chem comp atom.model cartn z: 35.072
chem comp atom.model cartn z ideal: 0.309
chem comp atom.pdb atom id: HHB
chem comp atom.pdbx ordinal: 44
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHC,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HHC
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.553
chem comp atom.model cartn x ideal: 5.786
chem comp atom.model cartn y: -22.268
chem comp atom.model cartn y ideal: 0.229
chem comp atom.model cartn z: 32.633
chem comp atom.model cartn z ideal: -0.153
chem comp atom.pdb atom id: HHC
chem comp atom.pdbx ordinal: 45
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHD,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HHD
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.802
chem comp atom.model cartn x ideal: 1.018
chem comp atom.model cartn y: -24.613
chem comp atom.model cartn y ideal: 4.543
chem comp atom.model cartn z: 38.472
chem comp atom.model cartn z ideal: -0.083
chem comp atom.pdb atom id: HHD
chem comp atom.pdbx ordinal: 46
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.316
chem comp atom.model cartn x ideal: -1.220
chem comp atom.model cartn y: -15.524
chem comp atom.model cartn y ideal: -5.306
chem comp atom.model cartn z: 37.249
chem comp atom.model cartn z ideal: -0.847
chem comp atom.pdb atom id: HMA
chem comp atom.pdbx ordinal: 47
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMAA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.749
chem comp atom.model cartn x ideal: -0.328
chem comp atom.model cartn y: -15.149
chem comp atom.model cartn y ideal: -5.480
chem comp atom.model cartn z: 36.455
chem comp atom.model cartn z ideal: 0.683
chem comp atom.pdb atom id: HMAA
chem comp atom.pdbx ordinal: 48
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMAB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.998
chem comp atom.model cartn x ideal: -2.097
chem comp atom.model cartn y: -14.743
chem comp atom.model cartn y ideal: -5.285
chem comp atom.model cartn z: 38.187
chem comp atom.model cartn z ideal: 0.702
chem comp atom.pdb atom id: HMAB
chem comp atom.pdbx ordinal: 49
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.894
chem comp atom.model cartn x ideal: -3.662
chem comp atom.model cartn y: -15.575
chem comp atom.model cartn y ideal: -3.862
chem comp atom.model cartn z: 40.209
chem comp atom.model cartn z ideal: 0.782
chem comp atom.pdb atom id: HAA
chem comp atom.pdbx ordinal: 50
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAAA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HAAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.264
chem comp atom.model cartn x ideal: -4.024
chem comp atom.model cartn y: -16.976
chem comp atom.model cartn y ideal: -2.121
chem comp atom.model cartn z: 41.104
chem comp atom.model cartn z ideal: 0.869
chem comp atom.pdb atom id: HAAA
chem comp atom.pdbx ordinal: 51
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.351
chem comp atom.model cartn x ideal: -3.825
chem comp atom.model cartn y: -18.235
chem comp atom.model cartn y ideal: -1.956
chem comp atom.model cartn z: 40.650
chem comp atom.model cartn z ideal: -1.597
chem comp atom.pdb atom id: HBA
chem comp atom.pdbx ordinal: 52
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBAA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HBAA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 5.999
chem comp atom.model cartn x ideal: -3.464
chem comp atom.model cartn y: -16.792
chem comp atom.model cartn y ideal: -3.697
chem comp atom.model cartn z: 39.732
chem comp atom.model cartn z ideal: -1.684
chem comp atom.pdb atom id: HBAA
chem comp atom.pdbx ordinal: 53
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 3.319
chem comp atom.model cartn x ideal: 3.256
chem comp atom.model cartn y: -17.449
chem comp atom.model cartn y ideal: -5.336
chem comp atom.model cartn z: 31.336
chem comp atom.model cartn z ideal: 0.660
chem comp atom.pdb atom id: HMB
chem comp atom.pdbx ordinal: 54
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMBA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.753
chem comp atom.model cartn x ideal: 4.794
chem comp atom.model cartn y: -16.442
chem comp atom.model cartn y ideal: -5.175
chem comp atom.model cartn z: 32.711
chem comp atom.model cartn z ideal: -0.222
chem comp atom.pdb atom id: HMBA
chem comp atom.pdbx ordinal: 55
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMBB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 4.435
chem comp atom.model cartn x ideal: 4.752
chem comp atom.model cartn y: -17.072
chem comp atom.model cartn y ideal: -4.948
chem comp atom.model cartn z: 32.692
chem comp atom.model cartn z ideal: 1.543
chem comp atom.pdb atom id: HMBB
chem comp atom.pdbx ordinal: 56
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HAB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.770
chem comp atom.model cartn x ideal: 6.927
chem comp atom.model cartn y: -21.100
chem comp atom.model cartn y ideal: -1.863
chem comp atom.model cartn z: 30.963
chem comp atom.model cartn z ideal: 1.011
chem comp atom.pdb atom id: HAB
chem comp atom.pdbx ordinal: 57
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HBB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.719
chem comp atom.model cartn x ideal: 7.994
chem comp atom.model cartn y: -19.927
chem comp atom.model cartn y ideal: -3.600
chem comp atom.model cartn z: 29.245
chem comp atom.model cartn z ideal: -0.277
chem comp atom.pdb atom id: HBB
chem comp atom.pdbx ordinal: 58
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBBA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HBBA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.308
chem comp atom.model cartn x ideal: 6.360
chem comp atom.model cartn y: -18.526
chem comp atom.model cartn y ideal: -3.987
chem comp atom.model cartn z: 30.414
chem comp atom.model cartn z ideal: -1.102
chem comp atom.pdb atom id: HBBA
chem comp atom.pdbx ordinal: 59
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMC,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMC
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.438
chem comp atom.model cartn x ideal: 6.554
chem comp atom.model cartn y: -25.328
chem comp atom.model cartn y ideal: 1.949
chem comp atom.model cartn z: 32.822
chem comp atom.model cartn z ideal: -0.639
chem comp atom.pdb atom id: HMC
chem comp atom.pdbx ordinal: 60
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMCA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMCA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.288
chem comp atom.model cartn x ideal: 6.110
chem comp atom.model cartn y: -25.484
chem comp atom.model cartn y ideal: 3.316
chem comp atom.model cartn z: 33.296
chem comp atom.model cartn z ideal: -1.689
chem comp atom.pdb atom id: HMCA
chem comp atom.pdbx ordinal: 61
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMCB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMCB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.278
chem comp atom.model cartn x ideal: 6.362
chem comp atom.model cartn y: -24.010
chem comp atom.model cartn y ideal: 3.578
chem comp atom.model cartn z: 32.440
chem comp atom.model cartn z ideal: 0.053
chem comp atom.pdb atom id: HMCB
chem comp atom.pdbx ordinal: 62
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAC,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HAC
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.583
chem comp atom.model cartn x ideal: 3.303
chem comp atom.model cartn y: -25.916
chem comp atom.model cartn y ideal: 5.694
chem comp atom.model cartn z: 36.975
chem comp atom.model cartn z ideal: 0.042
chem comp atom.pdb atom id: HAC
chem comp atom.pdbx ordinal: 63
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBC,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HBC
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.027
chem comp atom.model cartn x ideal: 4.614
chem comp atom.model cartn y: -28.035
chem comp atom.model cartn y ideal: 4.696
chem comp atom.model cartn z: 36.169
chem comp atom.model cartn z ideal: -2.523
chem comp atom.pdb atom id: HBC
chem comp atom.pdbx ordinal: 64
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBCA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HBCA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.239
chem comp atom.model cartn x ideal: 4.235
chem comp atom.model cartn y: -27.263
chem comp atom.model cartn y ideal: 6.464
chem comp atom.model cartn z: 34.971
chem comp atom.model cartn z ideal: -2.043
chem comp atom.pdb atom id: HBCA
chem comp atom.pdbx ordinal: 65
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMD,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMD
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.142
chem comp atom.model cartn x ideal: -0.715
chem comp atom.model cartn y: -23.919
chem comp atom.model cartn y ideal: 5.415
chem comp atom.model cartn z: 42.238
chem comp atom.model cartn z ideal: 0.639
chem comp atom.pdb atom id: HMD
chem comp atom.pdbx ordinal: 66
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMDA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMDA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.006
chem comp atom.model cartn x ideal: -2.394
chem comp atom.model cartn y: -24.304
chem comp atom.model cartn y ideal: 5.185
chem comp atom.model cartn z: 40.902
chem comp atom.model cartn z ideal: 0.094
chem comp atom.pdb atom id: HMDA
chem comp atom.pdbx ordinal: 67
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HMDB,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HMDB
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 1.680
chem comp atom.model cartn x ideal: -1.994
chem comp atom.model cartn y: -24.954
chem comp atom.model cartn y ideal: 5.055
chem comp atom.model cartn z: 40.872
chem comp atom.model cartn z ideal: 1.824
chem comp atom.pdb atom id: HMDB
chem comp atom.pdbx ordinal: 68
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HAD,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HAD
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.081
chem comp atom.model cartn x ideal: -4.052
chem comp atom.model cartn y: -22.206
chem comp atom.model cartn y ideal: 1.687
chem comp atom.model cartn z: 43.011
chem comp atom.model cartn z ideal: 1.738
chem comp atom.pdb atom id: HAD
chem comp atom.pdbx ordinal: 69
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HADA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HADA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.951
chem comp atom.model cartn x ideal: -3.893
chem comp atom.model cartn y: -20.739
chem comp atom.model cartn y ideal: 3.459
chem comp atom.model cartn z: 42.575
chem comp atom.model cartn z ideal: 1.677
chem comp atom.pdb atom id: HADA
chem comp atom.pdbx ordinal: 70
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBD,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HBD
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 0.775
chem comp atom.model cartn x ideal: -4.262
chem comp atom.model cartn y: -19.642
chem comp atom.model cartn y ideal: 3.408
chem comp atom.model cartn z: 41.839
chem comp atom.model cartn z ideal: -0.775
chem comp atom.pdb atom id: HBD
chem comp atom.pdbx ordinal: 71
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HBDA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HBDA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.116
chem comp atom.model cartn x ideal: -4.421
chem comp atom.model cartn y: -21.147
chem comp atom.model cartn y ideal: 1.636
chem comp atom.model cartn z: 42.297
chem comp atom.model cartn z ideal: -0.714
chem comp atom.pdb atom id: HBDA
chem comp atom.pdbx ordinal: 72
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2A,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: H2A
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 6.201
chem comp atom.model cartn x ideal: -7.082
chem comp atom.model cartn y: -16.682
chem comp atom.model cartn y ideal: -3.510
chem comp atom.model cartn z: 43.632
chem comp atom.model cartn z ideal: -2.254
chem comp atom.pdb atom id: H2A
chem comp atom.pdbx ordinal: 73
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H2D,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: H2D
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: -0.445
chem comp atom.model cartn x ideal: -7.877
chem comp atom.model cartn y: -20.063
chem comp atom.model cartn y ideal: 2.847
chem comp atom.model cartn z: 45.395
chem comp atom.model cartn z ideal: -0.512
chem comp atom.pdb atom id: H2D
chem comp atom.pdbx ordinal: 74
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HHA,HEM,4471
type: chem comp atom
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem comp atom.atom id: HHA
chem comp atom.comp id: HEM
chem comp atom.entry id: 4471
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 2.913
chem comp atom.model cartn x ideal: -3.246
chem comp atom.model cartn y: -19.150
chem comp atom.model cartn y ideal: -0.188
chem comp atom.model cartn z: 40.893
chem comp atom.model cartn z ideal: 0.567
chem comp atom.pdb atom id: HHA
chem comp atom.pdbx ordinal: 75
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HEM,4471,1
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 1
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: C1A
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,2
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 2
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: C4D
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,3
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHA
chem comp bond.atom id 2: HHA
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,4
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 4
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,5
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 5
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: C1B
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,6
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 6
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHB
chem comp bond.atom id 2: HHB
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,7
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 7
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: C4B
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,8
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 8
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: C1C
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,9
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 9
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHC
chem comp bond.atom id 2: HHC
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,10
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 10
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: C4C
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,11
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 11
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: C1D
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,12
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 12
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CHD
chem comp bond.atom id 2: HHD
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,13
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 13
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1A
chem comp bond.atom id 2: C2A
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,14
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 14
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1A
chem comp bond.atom id 2: NA
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,15
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 15
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2A
chem comp bond.atom id 2: C3A
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,16
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C2A
chem comp bond.atom id 2: CAA
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,17
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 17
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3A
chem comp bond.atom id 2: C4A
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,18
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 18
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3A
chem comp bond.atom id 2: CMA
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,19
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 19
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C4A
chem comp bond.atom id 2: NA
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,20
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 20
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMA
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,21
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 21
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMAA
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,22
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 22
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMA
chem comp bond.atom id 2: HMAB
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,23
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 23
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: CBA
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,24
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 24
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: HAA
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,25
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAA
chem comp bond.atom id 2: HAAA
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,26
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 26
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: CGA
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,27
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: HBA
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,28
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBA
chem comp bond.atom id 2: HBAA
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,29
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGA
chem comp bond.atom id 2: O1A
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,30
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 30
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGA
chem comp bond.atom id 2: O2A
chem comp bond.ordinal: 30
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,31
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 31
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1B
chem comp bond.atom id 2: C2B
chem comp bond.ordinal: 31
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,32
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 32
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1B
chem comp bond.atom id 2: NB
chem comp bond.ordinal: 32
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,33
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 33
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2B
chem comp bond.atom id 2: C3B
chem comp bond.ordinal: 33
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,34
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 34
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2B
chem comp bond.atom id 2: CMB
chem comp bond.ordinal: 34
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,35
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 35
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3B
chem comp bond.atom id 2: C4B
chem comp bond.ordinal: 35
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,36
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 36
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3B
chem comp bond.atom id 2: CAB
chem comp bond.ordinal: 36
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,37
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 37
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4B
chem comp bond.atom id 2: NB
chem comp bond.ordinal: 37
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,38
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 38
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMB
chem comp bond.ordinal: 38
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,39
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 39
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMBA
chem comp bond.ordinal: 39
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,40
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 40
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMB
chem comp bond.atom id 2: HMBB
chem comp bond.ordinal: 40
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,41
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 41
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAB
chem comp bond.atom id 2: CBB
chem comp bond.ordinal: 41
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,42
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 42
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAB
chem comp bond.atom id 2: HAB
chem comp bond.ordinal: 42
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,43
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 43
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBB
chem comp bond.atom id 2: HBB
chem comp bond.ordinal: 43
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,44
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 44
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBB
chem comp bond.atom id 2: HBBA
chem comp bond.ordinal: 44
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,45
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 45
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1C
chem comp bond.atom id 2: C2C
chem comp bond.ordinal: 45
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,46
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 46
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1C
chem comp bond.atom id 2: NC
chem comp bond.ordinal: 46
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,47
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 47
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2C
chem comp bond.atom id 2: C3C
chem comp bond.ordinal: 47
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,48
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 48
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2C
chem comp bond.atom id 2: CMC
chem comp bond.ordinal: 48
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,49
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 49
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3C
chem comp bond.atom id 2: C4C
chem comp bond.ordinal: 49
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,50
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 50
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3C
chem comp bond.atom id 2: CAC
chem comp bond.ordinal: 50
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,51
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 51
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4C
chem comp bond.atom id 2: NC
chem comp bond.ordinal: 51
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,52
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 52
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMC
chem comp bond.ordinal: 52
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,53
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 53
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMCA
chem comp bond.ordinal: 53
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,54
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 54
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMC
chem comp bond.atom id 2: HMCB
chem comp bond.ordinal: 54
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,55
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 55
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: CBC
chem comp bond.ordinal: 55
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,56
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 56
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAC
chem comp bond.atom id 2: HAC
chem comp bond.ordinal: 56
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,57
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 57
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBC
chem comp bond.atom id 2: HBC
chem comp bond.ordinal: 57
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,58
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 58
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBC
chem comp bond.atom id 2: HBCA
chem comp bond.ordinal: 58
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,59
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 59
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C1D
chem comp bond.atom id 2: C2D
chem comp bond.ordinal: 59
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,60
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 60
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C1D
chem comp bond.atom id 2: ND
chem comp bond.ordinal: 60
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,61
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 61
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2D
chem comp bond.atom id 2: C3D
chem comp bond.ordinal: 61
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,62
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 62
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C2D
chem comp bond.atom id 2: CMD
chem comp bond.ordinal: 62
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,63
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 63
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C3D
chem comp bond.atom id 2: C4D
chem comp bond.ordinal: 63
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,64
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 64
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: C3D
chem comp bond.atom id 2: CAD
chem comp bond.ordinal: 64
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,65
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 65
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C4D
chem comp bond.atom id 2: ND
chem comp bond.ordinal: 65
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,66
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 66
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMD
chem comp bond.ordinal: 66
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,67
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 67
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMDA
chem comp bond.ordinal: 67
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,68
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 68
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CMD
chem comp bond.atom id 2: HMDB
chem comp bond.ordinal: 68
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,69
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 69
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: CBD
chem comp bond.ordinal: 69
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,70
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 70
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: HAD
chem comp bond.ordinal: 70
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,71
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 71
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CAD
chem comp bond.atom id 2: HADA
chem comp bond.ordinal: 71
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,72
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 72
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: CGD
chem comp bond.ordinal: 72
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,73
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 73
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: HBD
chem comp bond.ordinal: 73
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,74
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 74
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CBD
chem comp bond.atom id 2: HBDA
chem comp bond.ordinal: 74
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,75
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 75
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGD
chem comp bond.atom id 2: O1D
chem comp bond.ordinal: 75
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

HEM,4471,76
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 76
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CGD
chem comp bond.atom id 2: O2D
chem comp bond.ordinal: 76
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,77
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 77
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2A
chem comp bond.atom id 2: H2A
chem comp bond.ordinal: 77
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,78
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 78
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2D
chem comp bond.atom id 2: H2D
chem comp bond.ordinal: 78
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,79
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 79
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NA
chem comp bond.ordinal: 79
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,80
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 80
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NB
chem comp bond.ordinal: 80
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,81
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 81
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: NC
chem comp bond.ordinal: 81
chem comp bond.stereo config: N
chem comp bond.value order: SING

HEM,4471,82
type: chem comp bond
of datablock: info:bmrb/4471
chem comp bond.comp id: HEM
chem comp bond.entry id: 4471
chem comp bond.id: 82
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: FE
chem comp bond.atom id 2: ND
chem comp bond.ordinal: 82
chem comp bond.stereo config: N
chem comp bond.value order: SING

chem comp descriptorCategory
has chem comp descriptor: 4471
has chem comp descriptor: 11.02
has chem comp descriptor: b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-,4471,na,1.02,INCHI
has chem comp descriptor: HEM,FEDYMSUPMFCVOD-UJJXFSCMSA-N,4471,na,1.02,INCHI
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr4471/chem_comp_descriptor/HEM,Cc1c2(nH)c(cc3nc(cc4(nH)c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O,4471,CACTVS,3.352,SMILES_CANONICAL
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr4471/chem_comp_descriptor/HEM,Cc1c2(nH)c(cc3nc(cc4(nH)c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O,4471,CACTVS,3.352,SMILES
has chem comp descriptor: 3
has chem comp descriptor: 1.7
has chem comp descriptor: https://bmrbpub.pdbj.org/rdf/bmr4471/chem_comp_descriptor/HEM,Cc1c2cc3nc(cc4c(c(c((nH)4)cc5nc(cc(c1CCC(=O)O)(nH)2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,4471,OECHEM,1.7.0,SMILES

b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-,4471,na,1.02,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4471
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: InChI=1S/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-
chem comp descriptor.entry id: 4471
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02
chem comp descriptor.type: INCHI

HEM,FEDYMSUPMFCVOD-UJJXFSCMSA-N,4471,na,1.02,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4471
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: FEDYMSUPMFCVOD-UJJXFSCMSA-N
chem comp descriptor.entry id: 4471
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02
chem comp descriptor.type: INCHI

https://bmrbpub.pdbj.org/rdf/bmr4471/chem_comp_descriptor/HEM,Cc1c2(nH)c(cc3nc(cc4(nH)c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O,4471,CACTVS,3.352,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4471
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
chem comp descriptor.entry id: 4471
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.352
chem comp descriptor.type: SMILES_CANONICAL

https://bmrbpub.pdbj.org/rdf/bmr4471/chem_comp_descriptor/HEM,Cc1c2(nH)c(cc3nc(cc4(nH)c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O,4471,CACTVS,3.352,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4471
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O
chem comp descriptor.entry id: 4471
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.352
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr4471/chem_comp_descriptor/HEM,Cc1c2cc3nc(cc4c(c(c((nH)4)cc5nc(cc(c1CCC(=O)O)(nH)2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,4471,OECHEM,1.7.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4471
chem comp descriptor.comp id: HEM
chem comp descriptor.descriptor: Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1CCC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C
chem comp descriptor.entry id: 4471
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.7.0
chem comp descriptor.type: SMILES

HEM,4471,3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid,ACD,11.02,systematic name
type: chem comp identifier
of datablock: info:bmrb/4471
chem comp identifier.comp id: HEM
chem comp identifier.entry id: 4471
chem comp identifier.identifier: 3,3'-(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-diyl)dipropanoic acid
chem comp identifier.program: ACD
chem comp identifier.program version: 11.02
chem comp identifier.type: systematic name

HEM,4471,3-((5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl)propanoic acid,OECHEM,1.6.1,systematic name
type: chem comp identifier
of datablock: info:bmrb/4471
chem comp identifier.comp id: HEM
chem comp identifier.entry id: 4471
chem comp identifier.identifier: 3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.6.1
chem comp identifier.type: systematic name

1,4471,1
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 1
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.667
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.846
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710301

1,4471,2
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 2
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 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: 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: 44710301

1,4471,3
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: 44710301

1,4471,4
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 4
chem shift completeness char.bb chem shift 13c 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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,5
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 5
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,6
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 6
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,7
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: 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: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,8
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: 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: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,9
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 9
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 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: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,10
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 10
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: 10
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: 44710301

1,4471,11
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 11
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 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: PHE
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,12
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: GLY
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,13
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: LYS
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: 44710301

1,4471,14
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 14
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: CYS
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,15
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 15
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 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: 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: 44710301

1,4471,16
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: 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: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,17
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: CYS
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: 44710301

1,4471,18
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 18
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 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: HIS
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,19
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 19
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 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: 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: 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: 44710301

1,4471,20
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 20
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: 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: 44710301

1,4471,21
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 21
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,22
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: 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: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,23
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 23
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 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: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,24
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: ASP
chem shift completeness char.comp index id: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710301

1,4471,25
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: 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: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,26
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: VAL
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710301

1,4471,27
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: GLY
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,28
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 28
chem shift completeness char.bb chem shift 13c 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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,29
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 29
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 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: HIS
chem shift completeness char.comp index id: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,30
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: 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: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710301

1,4471,31
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 31
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,32
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: GLY
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,33
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 33
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 33
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: 44710301

1,4471,34
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: VAL
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: 44710301

1,4471,35
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 35
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,36
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: ARG
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,37
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: 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: 37
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,38
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: VAL
chem shift completeness char.comp index id: 38
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710301

1,4471,39
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: ALA
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.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: 44710301

1,4471,40
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: GLY
chem shift completeness char.comp index id: 40
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,41
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: VAL
chem shift completeness char.comp index id: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 44710301

1,4471,42
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: 44710301

1,4471,43
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: GLY
chem shift completeness char.comp index id: 43
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,44
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 44
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 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: PHE
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.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: 44710301

1,4471,45
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 45
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,46
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 46
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 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: 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: 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: 44710301

1,4471,47
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 47
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 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: 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: 44710301

1,4471,48
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 48
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: 48
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,49
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 49
chem shift completeness char.bb chem shift 13c 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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 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: 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: 44710301

1,4471,50
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 50
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: MET
chem shift completeness char.comp index id: 50
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,51
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 51
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 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: 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: 44710301

1,4471,52
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 52
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 52
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710301

1,4471,53
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 53
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 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: HIS
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: 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: 44710301

1,4471,54
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: 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: 54
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,55
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 55
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.400
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: 0.000
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710301

1,4471,56
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 56
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 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: 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: 44710301

1,4471,57
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 57
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 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: TRP
chem shift completeness char.comp index id: 57
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,58
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 58
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 58
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,59
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 59
chem shift completeness char.bb chem shift 13c 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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 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: 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: 44710301

1,4471,60
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 60
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 60
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,61
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 61
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 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: 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: 44710301

1,4471,62
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 62
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 62
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: 44710301

1,4471,63
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 63
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 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: 44710301

1,4471,64
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 64
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: 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: 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: 44710301

1,4471,65
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 65
chem shift completeness char.arom chem shift 13c coverage: 0.800
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.900
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: 0.875
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: 0.944
chem shift completeness char.comp id: PHE
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: 0.833
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.923
chem shift completeness char.sf id: 44710301

1,4471,66
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 66
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 66
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: 44710301

1,4471,67
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: THR
chem shift completeness char.comp index id: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710301

1,4471,68
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: ASN
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,69
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 69
chem shift completeness char.bb chem shift 13c 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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710301

1,4471,70
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: LYS
chem shift completeness char.comp index id: 70
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,71
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: ALA
chem shift completeness char.comp index id: 71
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 44710301

1,4471,72
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 72
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 72
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,73
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 73
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 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: 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: 44710301

1,4471,74
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 74
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 74
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710301

1,4471,75
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 75
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 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: 75
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,76
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 76
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 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: 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: 44710301

1,4471,77
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: LYS
chem shift completeness char.comp index id: 77
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 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: 44710301

1,4471,78
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: MET
chem shift completeness char.comp index id: 78
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,79
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: ALA
chem shift completeness char.comp index id: 79
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710301

1,4471,80
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 80
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 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: PHE
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: 44710301

1,4471,81
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: ALA
chem shift completeness char.comp index id: 81
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 44710301

1,4471,82
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: GLY
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,83
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
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: LEU
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: 44710301

1,4471,84
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 84
chem shift completeness char.bb chem shift 13c 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 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 84
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,85
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 85
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: 85
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,86
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 86
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 86
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: 44710301

1,4471,87
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 87
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 87
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710301

1,4471,88
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 88
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 88
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,89
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 89
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: ARG
chem shift completeness char.comp index id: 89
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,90
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 90
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 90
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710301

1,4471,91
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 91
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 91
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 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: 44710301

1,4471,92
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 92
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 92
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: 44710301

1,4471,93
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 93
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 93
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: 44710301

1,4471,94
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 94
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 94
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,95
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 95
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 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: TYR
chem shift completeness char.comp index id: 95
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,96
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 96
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 96
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,97
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 97
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 97
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710301

1,4471,98
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 98
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: 98
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,99
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 99
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: GLN
chem shift completeness char.comp index id: 99
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

1,4471,100
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 100
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: GLN
chem shift completeness char.comp index id: 100
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710301

2,4471,101
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 101
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: MET
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710302

2,4471,102
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 102
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: 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: 44710302

2,4471,103
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 103
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: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,104
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 104
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: 44710302

2,4471,105
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 105
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: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,106
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 106
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: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,107
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 107
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: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710302

2,4471,108
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 108
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 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: 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: 44710302

2,4471,109
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 109
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: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,110
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 110
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: 10
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: 44710302

2,4471,111
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 111
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: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,112
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 112
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,113
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 113
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: 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: 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: 44710302

2,4471,114
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 114
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: 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: 44710302

2,4471,115
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 115
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.500
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: 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: 0.250
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: 44710302

2,4471,116
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 116
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: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,117
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 117
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: 17
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,118
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 118
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: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,119
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 119
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: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,120
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 120
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: LEU
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: 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: 44710302

2,4471,121
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 121
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ASP
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,122
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 122
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: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,123
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 123
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: 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 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: 44710302

2,4471,124
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 124
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: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,125
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 125
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: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,126
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 126
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: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,127
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 127
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: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,128
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 128
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: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,129
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 129
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: 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: 44710302

2,4471,130
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 130
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: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,131
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 131
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.182
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 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: 44710302

2,4471,132
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 132
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: 0.800
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: 0.667
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710302

2,4471,133
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 133
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.182
chem shift completeness char.comp id: VAL
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.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: 44710302

2,4471,134
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 134
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: 94
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710302

2,4471,135
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 135
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: 95
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,136
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 136
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: 96
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710302

2,4471,137
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 137
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 97
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,138
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 138
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: 98
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,139
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 139
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 99
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: 44710302

2,4471,140
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 140
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 100
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710302

2,4471,141
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 141
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: 34
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,142
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 142
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: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,143
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 143
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: 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: 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: 44710302

2,4471,144
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 144
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: 37
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710302

2,4471,145
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 145
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: 38
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
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: 44710302

2,4471,146
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 146
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: 39
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: 44710302

2,4471,147
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 147
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: 40
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,148
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 148
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: 41
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: 44710302

2,4471,149
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 149
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: 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: 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: 44710302

2,4471,150
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 150
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.200
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 43
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710302

2,4471,151
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 151
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: 44
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: 44710302

2,4471,152
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 152
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: 45
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710302

2,4471,153
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 153
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: 44710302

2,4471,154
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 154
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 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: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 44710302

2,4471,155
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 155
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: 48
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,156
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 156
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: 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: 44710302

2,4471,157
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 157
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: 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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,158
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 158
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: 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 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,159
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 159
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: 52
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,160
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 160
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.500
chem shift completeness char.arom chem shift coverage: 0.250
chem shift completeness char.bb chem shift 13c coverage: 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: 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: 0.333
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: 44710302

2,4471,161
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 161
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: 54
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,162
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 162
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: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,163
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 163
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: 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: 44710302

2,4471,164
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 164
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 0.167
chem shift completeness char.arom chem shift coverage: 0.167
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.200
chem shift completeness char.comp id: TRP
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.125
chem shift completeness char.sc chem shift coverage: 0.133
chem shift completeness char.sf id: 44710302

2,4471,165
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 165
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: 58
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710302

2,4471,166
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 166
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: 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: 44710302

2,4471,167
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 167
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 60
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710302

2,4471,168
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 168
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: 44710302

2,4471,169
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 169
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: 62
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: 44710302

2,4471,170
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 170
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710302

2,4471,171
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 171
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 0.000
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: GLU
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: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.750
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 44710302

2,4471,172
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 172
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: 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: 44710302

2,4471,173
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 173
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: 66
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: 44710302

2,4471,174
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 174
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: 67
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 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: 44710302

2,4471,175
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 175
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: 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: 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: 44710302

2,4471,176
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 176
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: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,177
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 177
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: 70
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710302

2,4471,178
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 178
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: 71
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710302

2,4471,179
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 179
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.200
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: 0.273
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 72
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 44710302

2,4471,180
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 180
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: 44710302

2,4471,181
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 181
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: 74
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,182
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 182
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.400
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: 0.667
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: GLY
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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710302

2,4471,183
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 183
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: 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: 44710302

2,4471,184
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 184
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: 77
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: 44710302

2,4471,185
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 185
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: 78
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710302

2,4471,186
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 186
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: 79
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,187
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 187
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: 80
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,188
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 188
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.333
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.286
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 81
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 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: 44710302

2,4471,189
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 189
chem shift completeness char.bb chem shift 13c coverage: 0.500
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.800
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.833
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 82
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710302

2,4471,190
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 190
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: 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: 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: 44710302

2,4471,191
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 191
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: 84
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710302

2,4471,192
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 192
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: 85
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710302

2,4471,193
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 193
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: 86
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: 44710302

2,4471,194
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 194
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 87
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 44710302

2,4471,195
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 195
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: 88
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 44710302

2,4471,196
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 196
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: 89
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: 44710302

2,4471,197
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 197
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: 90
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.000
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: 44710302

2,4471,198
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 198
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: 91
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 44710302

2,4471,199
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 199
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: 92
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: 44710302

2,4471,200
type: chem shift completeness char
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness char.assigned chem shift list id: 2
chem shift completeness char.entry id: 4471
chem shift completeness char.id: 200
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: 93
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: 44710302

1,4471
type: chem shift completeness list
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 4471
chem shift completeness list.arom chem shift 13c fraction: 38/39
chem shift completeness list.arom chem shift 15n fraction: 1/1
chem shift completeness list.arom chem shift 1h fraction: 40/40
chem shift completeness list.arom chem shift fraction: 79/80
chem shift completeness list.assigned residue coverage: 1.000
chem shift completeness list.bb chem shift 13c fraction: 285/286
chem shift completeness list.bb chem shift 15n fraction: 93/94
chem shift completeness list.bb chem shift 1h fraction: 191/194
chem shift completeness list.bb chem shift fraction: 569/574
chem shift completeness list.chem shift 13c fraction: 427/429
chem shift completeness list.chem shift 15n fraction: 104/105
chem shift completeness list.chem shift 1h fraction: 568/572
chem shift completeness list.chem shift fraction: 1099/1106
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr4471_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 50/50
chem shift completeness list.methyl chem shift 1h fraction: 50/50
chem shift completeness list.methyl chem shift fraction: 100/100
chem shift completeness list.output file name: bmr4471_chem_shift_completeness.str
chem shift completeness list.queried date: 2016-07-27Z
chem shift completeness list.sc chem shift 13c fraction: 228/229
chem shift completeness list.sc chem shift 15n fraction: 11/11
chem shift completeness list.sc chem shift 1h fraction: 377/378
chem shift completeness list.sc chem shift fraction: 616/618
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: 44710301

2,4471
type: chem shift completeness list
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
chem shift completeness list.assigned chem shift list id: 2
chem shift completeness list.entry id: 4471
chem shift completeness list.arom chem shift 13c fraction: 38/78
chem shift completeness list.arom chem shift 15n fraction: 2/2
chem shift completeness list.arom chem shift 1h fraction: 42/80
chem shift completeness list.arom chem shift fraction: 82/160
chem shift completeness list.assigned residue coverage: 0.170
chem shift completeness list.bb chem shift 13c fraction: 312/572
chem shift completeness list.bb chem shift 15n fraction: 107/188
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citation.class: entry citation
citation.doi: 10.1046/j.1432-1327.2000.01456.x
citation.full citation: Pristovsek, P., Luecke, C., Reincke, B., Lohr, F., Ludwig, B., and Rueterjans, H., "Letter to the Editor: Complete 1H, 15N and 13C Assignment of the Functional Domain of Paracoccus denitrificans Cytochrome c552 in the Reduced state," J. Biomol. NMR 16, 353-354 (2000).
citation.journal abbrev: J. Biomol. NMR
citation.journal issn: 0925-2738
citation.journal issue: 4
citation.journal name full: Journal of biomolecular NMR
citation.journal volume: 16
citation.medline ui code: 20285166
citation.page first: 353
citation.page last: 354
citation.pubmed id: 10826890
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citation.status: published
citation.title: Complete 1H, 15N and 13C assignment of the functional domain of paracoccus denitrificans cytochrome c552 in the reduced state.
citation.type: journal
citation.year: 2000

info:doi/10.1046/j.1432-1327.2000.01456.x

urn:miriam:doi:10.1046/j.1432-1327.2000.01456.x

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4471,2
type: citation
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citation.entry id: 4471
citation.id: 2
citation.class: reference citation
citation.details: A membrane-bound c-type cytochrome, c552, acts as the electron mediator between the cytochrome bc1 complex and cytochrome c oxidase in the branched respiratory chain of the bacterium Paracoccus denitrificans. Unlike in mitochondria where a soluble cytochrome c interacts with both complexes, the bacterial c552, the product of the cycM gene, shows a tripartite structure, with an N-terminal membrane anchor separated from a typical class I cytochrome domain by a highly charged region. Two derivative fragments, lacking either only the membrane spanning region or both N-terminal domains, were constructed on the genetic level, and expressed in Escherichia coli cotransformed with the ccm gene cluster encoding host-specific cytochrome c maturation factors. High levels of cytochromes c were expressed and located in the periplasm as holo-proteins; both these purified c552 fragments are functional in electron transport to oxidase, as ascertained by kinetic measurements, and will prove useful for future structural studies of complex formation by NMR and X-ray diffraction.
citation.doi: 10.1016/s0005-2728(99)00037-7
citation.full citation: Reincke, B., Thony-Meyer, L., Dannehl, C., Odenwald, A., Aidim, M., Witt, H., Ruterjans, H. & Ludwig, B. (1999) Heterologous expression of soluble fragments of cytochrome c552 acting as electron donor to the Paracoccus denitrificans cytochrome c oxidase. Biochim. Biophys. Acta, 1441, 114-120.
citation.journal abbrev: Biochim. Biophys. Acta
citation.journal issn: 0006-3002
citation.journal issue: 1
citation.journal name full: Biochimica et biophysica acta
citation.journal volume: 1411
citation.page first: 114
citation.page last: 120
citation.pubmed id: 10216157
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citation.sf framecode: ref_1
citation.status: published
citation.title: Heterologous expression of soluble fragments of cytochrome c552 acting as electron donor to the Paracoccus denitrificans cytochrome c oxidase.
citation.type: journal
citation.year: 1999

info:doi/10.1016/s0005-2728(99)00037-7

urn:miriam:doi:10.1016/s0005-2728(99)00037-7

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urn:miriam:issn:0006-3002

info:pmid/10216157

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4471,3
type: citation
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
citation.entry id: 4471
citation.id: 3
citation.class: reference citation
citation.details: Unlike mitochondria, many bacteria use a large repertoire of c-type cytochromes in different branches of their electron transport system. Among the many cytochromes c present in the soil bacterium Paracoccus denitrificans, a membrane-bound cytochrome (c552) has been suggested to mediate the electron transport between the cytochrome bc1 complex and cytochrome-c oxidase [Berry, E. A. & Trumpower, B. L. (1985) J. Biol. Chem. 260, 2458-2467]. We have purified this cytochrome from cytoplasmic membranes, and cloned and sequenced its gene, cycM. Sequence analysis reveals that, while its C-terminal portion is highly similar to type-I cytochromes c, its N-terminal part contains a hydrophobic segment providing membrane attachment. In addition, we present immunological evidence for its functional role in respiration.
citation.doi: 10.1111/j.1432-1033.1995.0259f.x
citation.full citation: Turba, A., Jetzek, M. & Ludwig, B. (1995) Purification of Paracoccus denitrificans cytochrome c552 and sequence analysis of the gene. Eur. J. Biochem., 231, 259-265.
citation.journal abbrev: Eur. J. Biochem.
citation.journal issn: 0014-2956
citation.journal issue: 1
citation.journal name full: European journal of biochemistry / FEBS
citation.journal volume: 231
citation.page first: 259
citation.page last: 265
citation.pubmed id: 7628479
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citation.sf framecode: ref_2
citation.status: published
citation.title: Purification of Paracoccus denitrificans cytochrome c552 and sequence analysis of the gene.
citation.type: journal
citation.year: 1995

info:doi/10.1111/j.1432-1033.1995.0259f.x

urn:miriam:doi:10.1111/j.1432-1033.1995.0259f.x

urn:ISSN:0014-2956

urn:miriam:issn:0014-2956

info:pmid/7628479

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entity.formula weight: 10539.86
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entity.polymer seq one letter code can: MADPAAGEKVFGKCKACHKLDGNDGVGPHLNGVVGRTVAGVDGFNYSDPMKAHGGDWTPEALQEFLTNPKAVVKGTKMAFAGLPKIEDRANLIAYLEGQQ
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entity db link.entry id: 4471
entity db link.author supplied: no
entity db link.entry mol name: RecName: Full=Cytochrome c-552; AltName: Full=Cytochrome c552
entity db link.ordinal: 10
entity db link.seq homology expectation val: 1.79E-65
entity db link.seq identity: 100.00
entity db link.seq positive: 100.00
entity db link.seq query to submitted percent: 99.00
entity db link.seq subject length: 176

1,4471,1
type: entity deleted atom
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entity deleted atom.assembly id: 1
entity deleted atom.entry id: 4471
entity deleted atom.id: 1
entity deleted atom.atom id: HG
entity deleted atom.comp id: CYS
entity deleted atom.comp index id: 14
entity deleted atom.entity assembly id: 1
entity deleted atom.entity id: 1
entity deleted atom.seq id: 14
entity deleted atom.sf id: 189458

1,4471,2
type: entity deleted atom
of datablock: info:bmrb/4471
entity deleted atom.assembly id: 1
entity deleted atom.entry id: 4471
entity deleted atom.id: 2
entity deleted atom.atom id: HG
entity deleted atom.comp id: CYS
entity deleted atom.comp index id: 17
entity deleted atom.entity assembly id: 1
entity deleted atom.entity id: 1
entity deleted atom.seq id: 17
entity deleted atom.sf id: 189458

1,4471,1
type: entity experimental src
of datablock: info:bmrb/4471
entity experimental src.entity experimental src list id: 1
entity experimental src.entry id: 4471
entity experimental src.id: 1
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 1
entity experimental src.entity label: cyt_c552
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: BL21(DE3)
entity experimental src.production method: recombinant technology
entity experimental src.vector name: pET-22b(+)
entity experimental src.vector type: plasmid

info:taxonomy/562

urn:miriam:taxonomy:562

4471,1
type: entity experimental src list
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reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
entity experimental src list.entry id: 4471
entity experimental src list.id: 1
entity experimental src list.sf category: experimental_source
entity experimental src list.sf framecode: experimental_source

1,4471,1
type: entity natural src
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
entity natural src.entity natural src list id: 1
entity natural src.entry id: 4471
entity natural src.id: 1
entity natural src.atcc number: 13543
entity natural src.citation id: 0
entity natural src.entity chimera segment id: 0
entity natural src.entity id: 1
entity natural src.entity label: cyt_c552
entity natural src.genus: Paracoccus
entity natural src.kingdom: Not applicable
entity natural src.ncbi taxonomy id: 266
entity natural src.organism name common: not available
entity natural src.organism name scientific: Paracoccus denitrificans
entity natural src.species: denitrificans
entity natural src.superkingdom: Bacteria
entity natural src.type: organism

info:taxonomy/266

urn:miriam:taxonomy:266

4471,1
type: entity natural src list
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
entity natural src list.entry id: 4471
entity natural src list.id: 1
entity natural src list.sf category: natural_source
entity natural src list.sf framecode: natural_source

1,4471,1
type: entity poly seq
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entity poly seq.comp index id: 1
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1,4471,2
type: entity poly seq
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1,4471,3
type: entity poly seq
of datablock: info:bmrb/4471
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entity poly seq.num: 3
entity poly seq.comp index id: 3
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1,4471,4
type: entity poly seq
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entity poly seq.num: 4
entity poly seq.comp index id: 4
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1,4471,5
type: entity poly seq
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1,4471,6
type: entity poly seq
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entity poly seq.comp index id: 6
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1,4471,7
type: entity poly seq
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entity poly seq.comp index id: 7
entity poly seq.mon id: GLY

1,4471,8
type: entity poly seq
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1,4471,9
type: entity poly seq
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entity poly seq.comp index id: 9
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1,4471,10
type: entity poly seq
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entity poly seq.comp index id: 10
entity poly seq.mon id: VAL

1,4471,11
type: entity poly seq
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entity poly seq.comp index id: 11
entity poly seq.mon id: PHE

1,4471,12
type: entity poly seq
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entity poly seq.entity id: 1
entity poly seq.entry id: 4471
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entity poly seq.comp index id: 12
entity poly seq.mon id: GLY

1,4471,13
type: entity poly seq
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entity poly seq.entry id: 4471
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entity poly seq.comp index id: 13
entity poly seq.mon id: LYS

1,4471,14
type: entity poly seq
of datablock: info:bmrb/4471
entity poly seq.entity id: 1
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entity poly seq.num: 14
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1,4471,15
type: entity poly seq
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entity poly seq.entry id: 4471
entity poly seq.num: 15
entity poly seq.comp index id: 15
entity poly seq.mon id: LYS

1,4471,16
type: entity poly seq
of datablock: info:bmrb/4471
entity poly seq.entity id: 1
entity poly seq.entry id: 4471
entity poly seq.num: 16
entity poly seq.comp index id: 16
entity poly seq.mon id: ALA

1,4471,17
type: entity poly seq
of datablock: info:bmrb/4471
entity poly seq.entity id: 1
entity poly seq.entry id: 4471
entity poly seq.num: 17
entity poly seq.comp index id: 17
entity poly seq.mon id: CYS

1,4471,18
type: entity poly seq
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entity poly seq.entity id: 1
entity poly seq.entry id: 4471
entity poly seq.num: 18
entity poly seq.comp index id: 18
entity poly seq.mon id: HIS

1,4471,19
type: entity poly seq
of datablock: info:bmrb/4471
entity poly seq.entity id: 1
entity poly seq.entry id: 4471
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entity poly seq.mon id: LYS

1,4471,20
type: entity poly seq
of datablock: info:bmrb/4471
entity poly seq.entity id: 1
entity poly seq.entry id: 4471
entity poly seq.num: 20
entity poly seq.comp index id: 20
entity poly seq.mon id: LEU

1,4471,21
type: entity poly seq
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entity poly seq.entry id: 4471
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entity poly seq.comp index id: 21
entity poly seq.mon id: ASP

1,4471,22
type: entity poly seq
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1,4471,23
type: entity poly seq
of datablock: info:bmrb/4471
entity poly seq.entity id: 1
entity poly seq.entry id: 4471
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entity poly seq.comp index id: 23
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1,4471,24
type: entity poly seq
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entity poly seq.comp index id: 24
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1,4471,25
type: entity poly seq
of datablock: info:bmrb/4471
entity poly seq.entity id: 1
entity poly seq.entry id: 4471
entity poly seq.num: 25
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entity poly seq.mon id: GLY

1,4471,26
type: entity poly seq
of datablock: info:bmrb/4471
entity poly seq.entity id: 1
entity poly seq.entry id: 4471
entity poly seq.num: 26
entity poly seq.comp index id: 26
entity poly seq.mon id: VAL

1,4471,27
type: entity poly seq
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1,4471,28
type: entity poly seq
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1,4471,29
type: entity poly seq
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entity poly seq.comp index id: 29
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1,4471,30
type: entity poly seq
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1,4471,31
type: entity poly seq
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1,4471,32
type: entity poly seq
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1,4471,33
type: entity poly seq
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1,4471,34
type: entity poly seq
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1,4471,35
type: entity poly seq
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1,4471,36
type: entity poly seq
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entity poly seq.mon id: ARG

1,4471,37
type: entity poly seq
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entity poly seq.entry id: 4471
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1,4471,38
type: entity poly seq
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1,4471,39
type: entity poly seq
of datablock: info:bmrb/4471
entity poly seq.entity id: 1
entity poly seq.entry id: 4471
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1,4471,40
type: entity poly seq
of datablock: info:bmrb/4471
entity poly seq.entity id: 1
entity poly seq.entry id: 4471
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1,4471,41
type: entity poly seq
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entity poly seq.entity id: 1
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1,4471,42
type: entity poly seq
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1,4471,43
type: entity poly seq
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1,4471,44
type: entity poly seq
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1,4471,45
type: entity poly seq
of datablock: info:bmrb/4471
entity poly seq.entity id: 1
entity poly seq.entry id: 4471
entity poly seq.num: 45
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entity poly seq.mon id: ASN

1,4471,46
type: entity poly seq
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entity poly seq.entity id: 1
entity poly seq.entry id: 4471
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entity poly seq.mon id: TYR

1,4471,47
type: entity poly seq
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1,4471,48
type: entity poly seq
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1,4471,49
type: entity poly seq
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1,4471,50
type: entity poly seq
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1,4471,51
type: entity poly seq
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1,4471,52
type: entity poly seq
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1,4471,53
type: entity poly seq
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1,4471,54
type: entity poly seq
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1,4471,55
type: entity poly seq
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1,4471,56
type: entity poly seq
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1,4471,57
type: entity poly seq
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1,4471,58
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1,4471,59
type: entity poly seq
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1,4471,60
type: entity poly seq
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1,4471,61
type: entity poly seq
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1,4471,62
type: entity poly seq
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1,4471,63
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1,4471,64
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1,4471,65
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1,4471,66
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1,4471,67
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1,4471,69
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1,4471,73
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1,4471,75
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sample component.assembly id: 1
sample component.concentration val: 20
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: potassium phosphate

4471,3,1
type: sample component
of datablock: info:bmrb/4471
sample component.entry id: 4471
sample component.id: 3
sample component.sample id: 1
sample component.assembly id: 1
sample component.concentration val: 10
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: D2O

4471,4,2
type: sample component
of datablock: info:bmrb/4471
sample component.entry id: 4471
sample component.id: 4
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val max: 4
sample component.concentration val min: 1.5
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: cyt_c552
sample component.isotopic labeling: [U-96% 15N]
sample component.mol common name: Paracoccus denitrificans cytochrome c552, soluble fragment

4471,5,2
type: sample component
of datablock: info:bmrb/4471
sample component.entry id: 4471
sample component.id: 5
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 20
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: potassium phosphate

4471,6,2
type: sample component
of datablock: info:bmrb/4471
sample component.entry id: 4471
sample component.id: 6
sample component.sample id: 2
sample component.assembly id: 1
sample component.concentration val: 10
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: D2O

4471,7,3
type: sample component
of datablock: info:bmrb/4471
sample component.entry id: 4471
sample component.id: 7
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val max: 4
sample component.concentration val min: 1.5
sample component.concentration val units: mM
sample component.entity id: 1
sample component.entity label: cyt_c552
sample component.isotopic labeling: [U-97% 13C; U-96% 15N]
sample component.mol common name: Paracoccus denitrificans cytochrome c552, soluble fragment

4471,8,3
type: sample component
of datablock: info:bmrb/4471
sample component.entry id: 4471
sample component.id: 8
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 20
sample component.concentration val units: mM
sample component.entity id: 0
sample component.mol common name: potassium phosphate

4471,9,3
type: sample component
of datablock: info:bmrb/4471
sample component.entry id: 4471
sample component.id: 9
sample component.sample id: 3
sample component.assembly id: 1
sample component.concentration val: 10
sample component.concentration val units: %
sample component.entity id: 0
sample component.mol common name: D2O

4471,1
type: sample condition list
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
sample condition list.entry id: 4471
sample condition list.id: 1
sample condition list.details: small excess sodium dithionite as reducing agent
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: cond_set_1

4471,1,pH
type: sample condition variable
of datablock: info:bmrb/4471
sample condition variable.entry id: 4471
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 5.5
sample condition variable.val err: 0.2

4471,1,temperature
type: sample condition variable
of datablock: info:bmrb/4471
sample condition variable.entry id: 4471
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 298
sample condition variable.val err: 0.1
sample condition variable.val units: K

4471,1
type: software
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
software.entry id: 4471
software.id: 1
software.name: XWIN-NMR
software.sf category: software
software.sf framecode: XWIN-NMR
software.version: 1.3

4471,2
type: software
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
software.entry id: 4471
software.id: 2
software.name: AURELIA
software.sf category: software
software.sf framecode: AURELIA
software.version: 2.5.9

4471,3
type: software
of datablock: info:bmrb/4471
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4471/entry/4471
software.entry id: 4471
software.id: 3
software.name: FELIX
software.sf category: software
software.sf framecode: FELIX
software.version: 97

4471,1,data collection and processing
type: task
of datablock: info:bmrb/4471
task.entry id: 4471
task.software id: 1
task.task: data collection and processing

4471,2,data analysis
type: task
of datablock: info:bmrb/4471
task.entry id: 4471
task.software id: 2
task.task: data analysis

4471,3,data analysis
type: task
of datablock: info:bmrb/4471
task.entry id: 4471
task.software id: 3
task.task: data analysis