info:bmrb/4961
type: datablock
datablock name: 4961
has assembly category: assemblyCategory
has assembly bio function category: assembly bio functionCategory
has assembly common name category: assembly common nameCategory
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 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 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 lacs char category: lacs charCategory
has lacs plot category: lacs plotCategory
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 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

4961,1
type: assembly
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
assembly.entry id: 4961
assembly.id: 1
assembly.name: YopH complex
assembly.paramagnetic: no
assembly.sf category: assembly
assembly.sf framecode: system_YopH
assembly.thiol state: all free

https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
referenced by assembly: 4961,1
referenced by assigned chem shift list: 4961,1
referenced by chem comp: 4961,PTR
referenced by chem comp atom: N,PTR,4961
referenced by chem comp atom: CA,PTR,4961
referenced by chem comp atom: C,PTR,4961
referenced by chem comp atom: O,PTR,4961
referenced by chem comp atom: OXT,PTR,4961
referenced by chem comp atom: CB,PTR,4961
referenced by chem comp atom: CG,PTR,4961
referenced by chem comp atom: CD1,PTR,4961
referenced by chem comp atom: CD2,PTR,4961
referenced by chem comp atom: CE1,PTR,4961
referenced by chem comp atom: CE2,PTR,4961
referenced by chem comp atom: CZ,PTR,4961
referenced by chem comp atom: OH,PTR,4961
referenced by chem comp atom: P,PTR,4961
referenced by chem comp atom: O1P,PTR,4961
referenced by chem comp atom: O2P,PTR,4961
referenced by chem comp atom: O3P,PTR,4961
referenced by chem comp atom: H,PTR,4961
referenced by chem comp atom: HN2,PTR,4961
referenced by chem comp atom: HA,PTR,4961
referenced by chem comp atom: HXT,PTR,4961
referenced by chem comp atom: HB2,PTR,4961
referenced by chem comp atom: HB3,PTR,4961
referenced by chem comp atom: HD1,PTR,4961
referenced by chem comp atom: HD2,PTR,4961
referenced by chem comp atom: HE1,PTR,4961
referenced by chem comp atom: HE2,PTR,4961
referenced by chem comp atom: HO2P,PTR,4961
referenced by chem comp atom: HO3P,PTR,4961
referenced by chem shift completeness char: 1,4961,1
referenced by chem shift completeness char: 1,4961,2
referenced by chem shift completeness char: 1,4961,3
referenced by chem shift completeness char: 1,4961,4
referenced by chem shift completeness char: 1,4961,5
referenced by chem shift completeness char: 1,4961,6
referenced by chem shift completeness char: 1,4961,7
referenced by chem shift completeness char: 1,4961,8
referenced by chem shift completeness char: 1,4961,9
referenced by chem shift completeness char: 1,4961,10
referenced by chem shift completeness char: 1,4961,11
referenced by chem shift completeness char: 1,4961,12
referenced by chem shift completeness char: 1,4961,13
referenced by chem shift completeness char: 1,4961,14
referenced by chem shift completeness char: 1,4961,15
referenced by chem shift completeness char: 1,4961,16
referenced by chem shift completeness char: 1,4961,17
referenced by chem shift completeness char: 1,4961,18
referenced by chem shift completeness char: 1,4961,19
referenced by chem shift completeness char: 1,4961,20
referenced by chem shift completeness char: 1,4961,21
referenced by chem shift completeness char: 1,4961,22
referenced by chem shift completeness char: 1,4961,23
referenced by chem shift completeness char: 1,4961,24
referenced by chem shift completeness char: 1,4961,25
referenced by chem shift completeness char: 1,4961,26
referenced by chem shift completeness char: 1,4961,27
referenced by chem shift completeness char: 1,4961,28
referenced by chem shift completeness char: 1,4961,29
referenced by chem shift completeness char: 1,4961,30
referenced by chem shift completeness char: 1,4961,31
referenced by chem shift completeness char: 1,4961,32
referenced by chem shift completeness char: 1,4961,33
referenced by chem shift completeness char: 1,4961,34
referenced by chem shift completeness char: 1,4961,35
referenced by chem shift completeness char: 1,4961,36
referenced by chem shift completeness char: 1,4961,37
referenced by chem shift completeness char: 1,4961,38
referenced by chem shift completeness char: 1,4961,39
referenced by chem shift completeness char: 1,4961,40
referenced by chem shift completeness char: 1,4961,41
referenced by chem shift completeness char: 1,4961,42
referenced by chem shift completeness char: 1,4961,43
referenced by chem shift completeness char: 1,4961,44
referenced by chem shift completeness char: 1,4961,45
referenced by chem shift completeness char: 1,4961,46
referenced by chem shift completeness char: 1,4961,47
referenced by chem shift completeness char: 1,4961,48

1,defeats the non-specific immune response of host organisms,4961
type: assembly bio function
of datablock: info:bmrb/4961
assembly bio function.assembly id: 1
assembly bio function.biological function: defeats the non-specific immune response of host organisms
assembly bio function.entry id: 4961

1,4961,YopH,abbreviation
type: assembly common name
of datablock: info:bmrb/4961
assembly common name.assembly id: 1
assembly common name.entry id: 4961
assembly common name.name: YopH
assembly common name.type: abbreviation

1,4961,YopH complex,system
type: assembly common name
of datablock: info:bmrb/4961
assembly common name.assembly id: 1
assembly common name.entry id: 4961
assembly common name.name: YopH complex
assembly common name.type: system

1,4961,protein-ligand complex
type: assembly type
of datablock: info:bmrb/4961
assembly type.assembly id: 1
assembly type.entry id: 4961
assembly type.type: protein-ligand complex

4961,1
type: assigned chem shift list
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
assigned chem shift list.entry id: 4961
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.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

1,4961,1
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1
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: ASN
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: 52.825
atom chem shift.val err: 0.059

1,4961,2
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 2
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: ASN
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: 4.886
atom chem shift.val err: 0.005

1,4961,3
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 3
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: ASN
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: 39.382
atom chem shift.val err: 0.017

1,4961,4
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 4
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
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: 2.790
atom chem shift.val err: 0.005

1,4961,5
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 5
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ASN
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: 2.718
atom chem shift.val err: 0.005

1,4961,6
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 6
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: ASN
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: 173.853
atom chem shift.val err: 0.000

1,4961,7
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 7
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: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 124.523
atom chem shift.val err: 0.038

1,4961,8
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 8
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: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 8.537
atom chem shift.val err: 0.013

1,4961,9
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 9
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: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 54.579
atom chem shift.val err: 0.036

1,4961,10
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 10
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: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 4.610
atom chem shift.val err: 0.020

1,4961,11
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 11
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: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 43.435
atom chem shift.val err: 0.012

1,4961,12
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 12
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 1.752
atom chem shift.val err: 0.004

1,4961,13
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 13
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 1.511
atom chem shift.val err: 0.004

1,4961,14
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 14
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: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 26.926
atom chem shift.val err: 0.000

1,4961,15
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 15
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 1.877
atom chem shift.val err: 0.004

1,4961,16
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 16
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD1
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 26.521
atom chem shift.val err: 0.000

1,4961,17
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 17
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CD2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 23.581
atom chem shift.val err: 0.000

1,4961,18
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 18
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD11
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 0.972
atom chem shift.val err: 0.000

1,4961,19
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 19
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD12
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 0.972
atom chem shift.val err: 0.000

1,4961,20
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 20
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD13
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 0.972
atom chem shift.val err: 0.000

1,4961,21
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 21
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 0.972
atom chem shift.val err: 0.000

1,4961,22
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 22
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 0.972
atom chem shift.val err: 0.000

1,4961,23
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 23
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HD23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 0.972
atom chem shift.val err: 0.000

1,4961,24
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 24
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: LEU
atom chem shift.comp index id: 3
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 3
atom chem shift.val: 177.301
atom chem shift.val err: 0.000

1,4961,25
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 25
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: SER
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 121.636
atom chem shift.val err: 0.162

1,4961,26
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 26
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: SER
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 9.351
atom chem shift.val err: 0.013

1,4961,27
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 27
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: SER
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 56.995
atom chem shift.val err: 0.052

1,4961,28
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 28
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: SER
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 4.428
atom chem shift.val err: 0.025

1,4961,29
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 29
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: SER
atom chem shift.comp index id: 4
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 4
atom chem shift.val: 65.003
atom chem shift.val err: 0.000

1,4961,30
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 30
atom chem shift.ambiguity code: 1
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atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
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atom chem shift.val err: 0.000

1,4961,31
type: atom chem shift
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atom chem shift.val: 123.087
atom chem shift.val err: 0.179

1,4961,32
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 8.937
atom chem shift.val err: 0.011

1,4961,33
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.048

1,4961,34
type: atom chem shift
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1,4961,35
type: atom chem shift
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1,4961,36
type: atom chem shift
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1,4961,37
type: atom chem shift
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1,4961,38
type: atom chem shift
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1,4961,39
type: atom chem shift
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1,4961,40
type: atom chem shift
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1,4961,41
type: atom chem shift
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1,4961,42
type: atom chem shift
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1,4961,43
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1,4961,44
type: atom chem shift
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1,4961,45
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1,4961,46
type: atom chem shift
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1,4961,47
type: atom chem shift
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1,4961,48
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,49
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,50
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,51
type: atom chem shift
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1,4961,52
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,53
type: atom chem shift
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1,4961,54
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1,4961,55
type: atom chem shift
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1,4961,56
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1,4961,57
type: atom chem shift
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1,4961,58
type: atom chem shift
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1,4961,59
type: atom chem shift
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1,4961,60
type: atom chem shift
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1,4961,62
type: atom chem shift
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type: atom chem shift
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1,4961,64
type: atom chem shift
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1,4961,65
type: atom chem shift
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1,4961,66
type: atom chem shift
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1,4961,67
type: atom chem shift
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1,4961,68
type: atom chem shift
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1,4961,69
type: atom chem shift
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1,4961,70
type: atom chem shift
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1,4961,71
type: atom chem shift
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1,4961,72
type: atom chem shift
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1,4961,73
type: atom chem shift
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1,4961,83
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1,4961,108
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1,4961,109
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1,4961,111
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atom chem shift.val: 1.246
atom chem shift.val err: 0.004

1,4961,116
type: atom chem shift
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atom chem shift.val err: 0.004

1,4961,117
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.004

1,4961,118
type: atom chem shift
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atom chem shift.val err: 0.004

1,4961,119
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,120
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,121
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,122
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,123
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,124
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 62.872
atom chem shift.val err: 0.053

1,4961,125
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.521

1,4961,126
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,127
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 123.829
atom chem shift.val err: 0.178

1,4961,128
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,129
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,130
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,131
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,132
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1,4961,133
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1,4961,134
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,135
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,136
type: atom chem shift
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1,4961,137
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,138
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,139
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1,4961,140
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1,4961,141
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1,4961,142
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1,4961,143
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1,4961,144
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1,4961,145
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1,4961,146
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1,4961,147
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1,4961,148
type: atom chem shift
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1,4961,149
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,150
type: atom chem shift
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1,4961,151
type: atom chem shift
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1,4961,152
type: atom chem shift
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1,4961,153
type: atom chem shift
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1,4961,154
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1,4961,155
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1,4961,156
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1,4961,157
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1,4961,158
type: atom chem shift
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1,4961,161
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1,4961,162
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1,4961,163
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1,4961,164
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1,4961,168
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1,4961,171
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1,4961,180
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1,4961,182
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1,4961,189
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atom chem shift.val: 117.566
atom chem shift.val err: 0.146

1,4961,201
type: atom chem shift
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atom chem shift.val: 8.408
atom chem shift.val err: 0.007

1,4961,202
type: atom chem shift
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atom chem shift.val err: 0.043

1,4961,203
type: atom chem shift
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atom chem shift.val err: 0.015

1,4961,204
type: atom chem shift
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1,4961,205
type: atom chem shift
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atom chem shift.val err: 0.004

1,4961,206
type: atom chem shift
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1,4961,207
type: atom chem shift
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atom chem shift.val: 175.939
atom chem shift.val err: 0.000

1,4961,208
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 118.671
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1,4961,209
type: atom chem shift
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1,4961,210
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1,4961,211
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1,4961,212
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1,4961,213
type: atom chem shift
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1,4961,214
type: atom chem shift
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1,4961,215
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1,4961,216
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1,4961,217
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1,4961,218
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1,4961,219
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1,4961,220
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1,4961,221
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1,4961,222
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1,4961,223
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1,4961,224
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1,4961,225
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1,4961,226
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1,4961,227
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1,4961,228
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1,4961,229
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1,4961,230
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1,4961,231
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1,4961,232
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1,4961,233
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1,4961,234
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1,4961,235
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1,4961,236
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1,4961,237
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1,4961,238
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1,4961,239
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1,4961,240
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1,4961,241
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1,4961,242
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1,4961,243
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1,4961,251
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1,4961,252
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1,4961,253
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1,4961,254
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1,4961,255
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atom chem shift.val err: 0.000

1,4961,286
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atom chem shift.val err: 0.000

1,4961,287
type: atom chem shift
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atom chem shift.val: 126.952
atom chem shift.val err: 0.175

1,4961,288
type: atom chem shift
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atom chem shift.val err: 0.015

1,4961,289
type: atom chem shift
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atom chem shift.val err: 0.090

1,4961,290
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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1,4961,291
type: atom chem shift
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1,4961,292
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1,4961,293
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1,4961,294
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1,4961,295
type: atom chem shift
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1,4961,296
type: atom chem shift
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1,4961,297
type: atom chem shift
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1,4961,298
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1,4961,299
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1,4961,300
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1,4961,301
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1,4961,302
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1,4961,303
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1,4961,304
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1,4961,305
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1,4961,306
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1,4961,307
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1,4961,308
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1,4961,309
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1,4961,310
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1,4961,311
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1,4961,312
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1,4961,313
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1,4961,314
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1,4961,315
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1,4961,316
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1,4961,317
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1,4961,318
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1,4961,319
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1,4961,320
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1,4961,321
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1,4961,322
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1,4961,323
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1,4961,324
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1,4961,325
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1,4961,326
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1,4961,327
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1,4961,328
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1,4961,329
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1,4961,330
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1,4961,331
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1,4961,332
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1,4961,333
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1,4961,338
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1,4961,339
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1,4961,340
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1,4961,341
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atom chem shift.val: 118.307
atom chem shift.val err: 0.192

1,4961,371
type: atom chem shift
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1,4961,372
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,373
type: atom chem shift
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1,4961,374
type: atom chem shift
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1,4961,375
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1,4961,376
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1,4961,377
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1,4961,378
type: atom chem shift
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1,4961,379
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1,4961,380
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1,4961,381
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1,4961,382
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1,4961,383
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1,4961,387
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1,4961,388
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1,4961,389
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1,4961,390
type: atom chem shift
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1,4961,391
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1,4961,392
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1,4961,393
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1,4961,394
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1,4961,398
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1,4961,400
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1,4961,413
type: atom chem shift
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atom chem shift.val: 0.733
atom chem shift.val err: 0.000

1,4961,414
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,415
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 11.317
atom chem shift.val err: 0.000

1,4961,416
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 178.173
atom chem shift.val err: 0.000

1,4961,417
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 122.314
atom chem shift.val err: 0.066

1,4961,418
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.010

1,4961,419
type: atom chem shift
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atom chem shift.val: 54.310
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1,4961,420
type: atom chem shift
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1,4961,421
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1,4961,422
type: atom chem shift
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1,4961,423
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1,4961,424
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1,4961,425
type: atom chem shift
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1,4961,426
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1,4961,427
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1,4961,428
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1,4961,429
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1,4961,430
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1,4961,431
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1,4961,432
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1,4961,433
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1,4961,434
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1,4961,435
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1,4961,436
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1,4961,437
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1,4961,438
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1,4961,439
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1,4961,440
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1,4961,441
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1,4961,442
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1,4961,446
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1,4961,448
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atom chem shift.atom type: N
atom chem shift.comp id: GLU
atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 126.406
atom chem shift.val err: 0.081

1,4961,456
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 456
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atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 9.196
atom chem shift.val err: 0.011

1,4961,457
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 457
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atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 60.233
atom chem shift.val err: 0.043

1,4961,458
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 458
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atom chem shift.comp index id: 50
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 4.094
atom chem shift.val err: 0.014

1,4961,459
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.entity id: 1
atom chem shift.seq id: 50
atom chem shift.val: 28.817
atom chem shift.val err: 0.136

1,4961,460
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.seq id: 50
atom chem shift.val: 2.177
atom chem shift.val err: 0.000

1,4961,461
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.108
atom chem shift.val err: 0.000

1,4961,462
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 35.643
atom chem shift.val err: 0.000

1,4961,463
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.461
atom chem shift.val err: 0.004

1,4961,464
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 2.398
atom chem shift.val err: 0.004

1,4961,465
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 465
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atom chem shift.val: 178.173
atom chem shift.val err: 0.000

1,4961,466
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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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: 113.671
atom chem shift.val err: 0.165

1,4961,467
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 467
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atom chem shift.val: 8.855
atom chem shift.val err: 0.014

1,4961,468
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 60.659
atom chem shift.val err: 0.198

1,4961,469
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.334
atom chem shift.val err: 0.023

1,4961,470
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 61.401
atom chem shift.val err: 0.000

1,4961,471
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 178.918
atom chem shift.val err: 0.000

1,4961,472
type: atom chem shift
of datablock: info:bmrb/4961
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: 52
atom chem shift.val: 128.087
atom chem shift.val err: 0.085

1,4961,473
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 7.493
atom chem shift.val err: 0.014

1,4961,474
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 58.871
atom chem shift.val err: 0.052

1,4961,475
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.150
atom chem shift.val err: 0.013

1,4961,476
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 29.782
atom chem shift.val err: 0.000

1,4961,477
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,478
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,479
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 124.699
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1,4961,480
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,481
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,482
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.008

1,4961,483
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,484
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,485
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,486
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,487
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,488
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 119.250
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1,4961,489
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,490
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,491
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,492
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,493
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,494
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,495
type: atom chem shift
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1,4961,496
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,497
type: atom chem shift
of datablock: info:bmrb/4961
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type: atom chem shift
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atom chem shift.val err: 0.004

1,4961,499
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.004

1,4961,500
type: atom chem shift
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atom chem shift.val: 22.973
atom chem shift.val err: 0.000

1,4961,501
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,502
type: atom chem shift
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1,4961,503
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of datablock: info:bmrb/4961
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1,4961,504
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1,4961,505
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1,4961,506
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1,4961,507
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1,4961,508
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1,4961,509
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1,4961,510
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1,4961,511
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1,4961,512
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1,4961,515
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1,4961,518
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1,4961,519
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1,4961,520
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1,4961,521
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1,4961,522
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1,4961,524
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1,4961,531
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atom chem shift.atom type: N
atom chem shift.comp id: VAL
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 124.520
atom chem shift.val err: 0.157

1,4961,541
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 541
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: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 8.083
atom chem shift.val err: 0.011

1,4961,542
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 542
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: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 68.296
atom chem shift.val err: 0.043

1,4961,543
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 543
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: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 3.344
atom chem shift.val err: 0.013

1,4961,544
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 544
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: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 34.021
atom chem shift.val err: 0.000

1,4961,545
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 545
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: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 1.886
atom chem shift.val err: 0.008

1,4961,546
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 546
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG1
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atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 28.345
atom chem shift.val err: 0.000

1,4961,547
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 547
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: CG2
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.comp id: VAL
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 26.926
atom chem shift.val err: 0.000

1,4961,548
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 548
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG11
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 1.042
atom chem shift.val err: 0.014

1,4961,549
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 549
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG12
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atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 1.042
atom chem shift.val err: 0.014

1,4961,550
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 550
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG13
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atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 1.042
atom chem shift.val err: 0.014

1,4961,551
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 551
atom chem shift.ambiguity code: 1
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atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 1.042
atom chem shift.val err: 0.014

1,4961,552
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 552
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
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atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 1.042
atom chem shift.val err: 0.014

1,4961,553
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 553
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HG23
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: VAL
atom chem shift.comp index id: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 1.042
atom chem shift.val err: 0.014

1,4961,554
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 554
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: 59
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 59
atom chem shift.val: 177.726
atom chem shift.val err: 0.000

1,4961,555
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 555
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: LEU
atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 119.159
atom chem shift.val err: 0.111

1,4961,556
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 556
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 8.121
atom chem shift.val err: 0.014

1,4961,557
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 557
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: LEU
atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 57.986
atom chem shift.val err: 0.044

1,4961,558
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 558
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 3.935
atom chem shift.val err: 0.016

1,4961,559
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 559
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 41.662
atom chem shift.val err: 0.163

1,4961,560
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 560
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 2.023
atom chem shift.val err: 0.004

1,4961,561
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 561
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 1.430
atom chem shift.val err: 0.004

1,4961,562
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 562
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 26.318
atom chem shift.val err: 0.000

1,4961,563
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 563
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atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 60
atom chem shift.val: 1.614
atom chem shift.val err: 0.004

1,4961,564
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 564
atom chem shift.ambiguity code: 2
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atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
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atom chem shift.val: 1.029
atom chem shift.val err: 0.000

1,4961,565
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 565
atom chem shift.ambiguity code: 2
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atom chem shift.val: 1.029
atom chem shift.val err: 0.000

1,4961,566
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 566
atom chem shift.ambiguity code: 2
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atom chem shift.val: 1.029
atom chem shift.val err: 0.000

1,4961,567
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 567
atom chem shift.ambiguity code: 2
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atom chem shift.val: 0.734
atom chem shift.val err: 0.000

1,4961,568
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 568
atom chem shift.ambiguity code: 2
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atom chem shift.val: 0.734
atom chem shift.val err: 0.000

1,4961,569
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 569
atom chem shift.ambiguity code: 2
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atom chem shift.comp index id: 60
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 60
atom chem shift.val: 0.734
atom chem shift.val err: 0.000

1,4961,570
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 570
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.seq id: 60
atom chem shift.val: 23.378
atom chem shift.val err: 0.000

1,4961,571
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 571
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atom chem shift.val err: 0.000

1,4961,572
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 572
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 114.667
atom chem shift.val err: 0.204

1,4961,573
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 573
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: 61
atom chem shift.val: 8.042
atom chem shift.val err: 0.015

1,4961,574
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 574
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 61
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 61.606
atom chem shift.val err: 0.040

1,4961,575
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 575
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 4.184
atom chem shift.val err: 0.017

1,4961,576
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 576
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 62.439
atom chem shift.val err: 0.000

1,4961,577
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 577
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 61
atom chem shift.val: 176.237
atom chem shift.val err: 0.000

1,4961,578
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 578
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: HIS
atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 119.737
atom chem shift.val err: 0.175

1,4961,579
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 579
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 7.584
atom chem shift.val err: 0.014

1,4961,580
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 580
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atom chem shift.entity id: 1
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atom chem shift.val: 58.842
atom chem shift.val err: 0.040

1,4961,581
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 581
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 4.607
atom chem shift.val err: 0.014

1,4961,582
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 582
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 31.316
atom chem shift.val err: 0.070

1,4961,583
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 583
atom chem shift.ambiguity code: 2
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atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 3.148
atom chem shift.val err: 0.004

1,4961,584
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 584
atom chem shift.ambiguity code: 2
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 3.014
atom chem shift.val err: 0.004

1,4961,585
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 585
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 62
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 62
atom chem shift.val: 175.939
atom chem shift.val err: 0.000

1,4961,586
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 586
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: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 111.956
atom chem shift.val err: 0.161

1,4961,587
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 587
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 7.718
atom chem shift.val err: 0.015

1,4961,588
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 588
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atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 60.104
atom chem shift.val err: 0.046

1,4961,589
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 589
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 4.704
atom chem shift.val err: 0.012

1,4961,590
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 590
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 63
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atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 31.782
atom chem shift.val err: 0.110

1,4961,591
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 591
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atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 2.470
atom chem shift.val err: 0.004

1,4961,592
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 592
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 63
atom chem shift.val: 1.148
atom chem shift.val err: 0.004

1,4961,593
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 593
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 63
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 63
atom chem shift.val: 1.148
atom chem shift.val err: 0.004

1,4961,594
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 594
atom chem shift.ambiguity code: 2
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 63
atom chem shift.val: 1.148
atom chem shift.val err: 0.004

1,4961,595
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 595
atom chem shift.ambiguity code: 2
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 63
atom chem shift.val: 0.969
atom chem shift.val err: 0.004

1,4961,596
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.004

1,4961,597
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 0.969
atom chem shift.val err: 0.004

1,4961,598
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 22.365
atom chem shift.val err: 0.000

1,4961,599
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 599
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atom chem shift.val: 21.149
atom chem shift.val err: 0.000

1,4961,600
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 600
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: 63
atom chem shift.val: 175.258
atom chem shift.val err: 0.000

1,4961,601
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 601
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 64
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 64
atom chem shift.val: 128.523
atom chem shift.val err: 0.124

1,4961,602
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 602
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atom chem shift.seq id: 64
atom chem shift.val: 7.509
atom chem shift.val err: 0.017

1,4961,603
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 603
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atom chem shift.seq id: 64
atom chem shift.val: 54.376
atom chem shift.val err: 0.046

1,4961,604
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 4.364
atom chem shift.val err: 0.007

1,4961,605
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 605
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atom chem shift.val: 1.469
atom chem shift.val err: 0.004

1,4961,606
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.004

1,4961,607
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.004

1,4961,608
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 18.002
atom chem shift.val err: 0.005

1,4961,609
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 609
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atom chem shift.val: 177.897
atom chem shift.val err: 0.000

1,4961,610
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 610
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: 65
atom chem shift.val: 115.604
atom chem shift.val err: 0.161

1,4961,611
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 65
atom chem shift.val: 8.948
atom chem shift.val err: 0.013

1,4961,612
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 612
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atom chem shift.val: 53.911
atom chem shift.val err: 0.048

1,4961,613
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 613
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atom chem shift.val: 4.475
atom chem shift.val err: 0.014

1,4961,614
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 38.236
atom chem shift.val err: 0.060

1,4961,615
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 2.916
atom chem shift.val err: 0.004

1,4961,616
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 2.988
atom chem shift.val err: 0.004

1,4961,617
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 617
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atom chem shift.val err: 0.000

1,4961,618
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 618
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: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 122.169
atom chem shift.val err: 0.183

1,4961,619
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 619
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atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
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atom chem shift.val: 7.613
atom chem shift.val err: 0.016

1,4961,620
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 620
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atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 66
atom chem shift.val: 61.767
atom chem shift.val err: 0.042

1,4961,621
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 621
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 66
atom chem shift.val: 4.106
atom chem shift.val err: 0.011

1,4961,622
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 622
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atom chem shift.comp index id: 66
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 66
atom chem shift.val: 32.666
atom chem shift.val err: 0.139

1,4961,623
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 623
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atom chem shift.val: 2.095
atom chem shift.val err: 0.004

1,4961,624
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 624
atom chem shift.ambiguity code: 2
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atom chem shift.val: 1.032
atom chem shift.val err: 0.004

1,4961,625
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 625
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atom chem shift.val: 1.032
atom chem shift.val err: 0.004

1,4961,626
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.032
atom chem shift.val err: 0.004

1,4961,627
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 0.782
atom chem shift.val err: 0.004

1,4961,628
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.004

1,4961,629
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.004

1,4961,630
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,631
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,632
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 174.023
atom chem shift.val err: 0.000

1,4961,633
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 127.845
atom chem shift.val err: 0.119

1,4961,634
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.298
atom chem shift.val err: 0.014

1,4961,635
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.042

1,4961,636
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 3.936
atom chem shift.val err: 0.016

1,4961,637
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,638
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,639
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,640
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,641
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1,4961,642
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,643
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,644
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1,4961,645
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1,4961,646
type: atom chem shift
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1,4961,647
type: atom chem shift
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1,4961,648
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1,4961,649
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,650
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1,4961,651
type: atom chem shift
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1,4961,652
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1,4961,653
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1,4961,654
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1,4961,655
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1,4961,656
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1,4961,657
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1,4961,664
type: atom chem shift
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1,4961,665
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1,4961,666
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1,4961,667
type: atom chem shift
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atom chem shift.val: 4.981
atom chem shift.val err: 0.013

1,4961,668
type: atom chem shift
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atom chem shift.val: 71.928
atom chem shift.val err: 0.000

1,4961,669
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.847
atom chem shift.val err: 0.000

1,4961,670
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 21.554
atom chem shift.val err: 0.000

1,4961,671
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 175.875
atom chem shift.val err: 0.000

1,4961,672
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 121.617
atom chem shift.val err: 0.059

1,4961,673
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.964
atom chem shift.val err: 0.012

1,4961,674
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 58.951
atom chem shift.val err: 0.050

1,4961,675
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,676
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 28.193
atom chem shift.val err: 0.152

1,4961,677
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 33.920
atom chem shift.val err: 0.000

1,4961,678
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 177.833
atom chem shift.val err: 0.000

1,4961,679
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 119.924
atom chem shift.val err: 0.051

1,4961,680
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.121
atom chem shift.val err: 0.016

1,4961,681
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 59.524
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1,4961,682
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.088
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1,4961,683
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,684
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,685
type: atom chem shift
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1,4961,686
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,687
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,688
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 121.220
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1,4961,689
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,690
type: atom chem shift
of datablock: info:bmrb/4961
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type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,692
type: atom chem shift
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of datablock: info:bmrb/4961
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1,4961,695
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,697
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,698
type: atom chem shift
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1,4961,709
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1,4961,710
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 74
atom chem shift.val: 4.167
atom chem shift.val err: 0.012

1,4961,711
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 711
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atom chem shift.val: 1.550
atom chem shift.val err: 0.004

1,4961,712
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.550
atom chem shift.val err: 0.004

1,4961,713
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.550
atom chem shift.val err: 0.004

1,4961,714
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 74
atom chem shift.val: 17.688
atom chem shift.val err: 0.117

1,4961,715
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 180.365
atom chem shift.val err: 0.000

1,4961,716
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 75
atom chem shift.val: 119.210
atom chem shift.val err: 0.147

1,4961,717
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 7.540
atom chem shift.val err: 0.014

1,4961,718
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 59.527
atom chem shift.val err: 0.069

1,4961,719
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.026
atom chem shift.val err: 0.068

1,4961,720
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 32.831
atom chem shift.val err: 0.074

1,4961,721
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 26.115
atom chem shift.val err: 0.000

1,4961,722
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 30.068
atom chem shift.val err: 0.000

1,4961,723
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,724
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 179.493
atom chem shift.val err: 0.000

1,4961,725
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 121.541
atom chem shift.val err: 0.187

1,4961,726
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,727
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 57.485
atom chem shift.val err: 0.055

1,4961,728
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 4.190
atom chem shift.val err: 0.025

1,4961,729
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,730
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of datablock: info:bmrb/4961
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1,4961,731
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,733
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,734
type: atom chem shift
of datablock: info:bmrb/4961
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type: atom chem shift
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atom chem shift.val err: 0.000

1,4961,738
type: atom chem shift
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atom chem shift.val err: 0.000

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type: atom chem shift
of datablock: info:bmrb/4961
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type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.020

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type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.052

1,4961,742
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.042

1,4961,743
type: atom chem shift
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1,4961,744
type: atom chem shift
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type: atom chem shift
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atom chem shift.val err: 0.004

1,4961,746
type: atom chem shift
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atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

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type: atom chem shift
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type: atom chem shift
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atom chem shift.val err: 0.000

1,4961,753
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,754
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 119.469
atom chem shift.val err: 0.168

1,4961,755
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.016

1,4961,756
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.040

1,4961,757
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,758
type: atom chem shift
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1,4961,759
type: atom chem shift
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1,4961,761
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type: atom chem shift
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type: atom chem shift
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1,4961,764
type: atom chem shift
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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: 173.257
atom chem shift.val err: 0.000

1,4961,795
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 83
atom chem shift.val: 126.511
atom chem shift.val err: 0.106

1,4961,796
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 83
atom chem shift.val: 8.305
atom chem shift.val err: 0.009

1,4961,797
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 83
atom chem shift.val: 57.080
atom chem shift.val err: 0.063

1,4961,798
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.454
atom chem shift.val err: 0.008

1,4961,799
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 29.311
atom chem shift.val err: 0.000

1,4961,800
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,801
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,802
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 52.371
atom chem shift.val err: 0.036

1,4961,803
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.004

1,4961,804
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,805
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,806
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,807
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,808
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,809
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,810
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,811
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,812
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,813
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,814
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 124.704
atom chem shift.val err: 0.075

1,4961,815
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.015

1,4961,816
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,817
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.012

1,4961,818
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,819
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,820
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,821
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,822
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,823
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,824
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,825
type: atom chem shift
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type: atom chem shift
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1,4961,827
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: 0.690
atom chem shift.val err: 0.000

1,4961,837
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 25.912
atom chem shift.val err: 0.000

1,4961,838
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 24.696
atom chem shift.val err: 0.000

1,4961,839
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 176.109
atom chem shift.val err: 0.000

1,4961,840
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 840
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atom chem shift.seq id: 91
atom chem shift.val: 123.831
atom chem shift.val err: 0.174

1,4961,841
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 9.303
atom chem shift.val err: 0.014

1,4961,842
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.049

1,4961,843
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.768
atom chem shift.val err: 0.037

1,4961,844
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.145

1,4961,845
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,846
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,847
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 175.002
atom chem shift.val err: 0.000

1,4961,848
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 121.017
atom chem shift.val err: 0.177

1,4961,849
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 8.858
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1,4961,850
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,851
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.018

1,4961,852
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,853
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,854
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,855
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,856
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,857
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,858
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,859
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,860
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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1,4961,861
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,862
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,863
type: atom chem shift
of datablock: info:bmrb/4961
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type: atom chem shift
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1,4961,865
type: atom chem shift
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type: atom chem shift
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1,4961,867
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,868
type: atom chem shift
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1,4961,869
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,870
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,871
type: atom chem shift
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1,4961,874
type: atom chem shift
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1,4961,875
type: atom chem shift
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1,4961,876
type: atom chem shift
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1,4961,877
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1,4961,878
type: atom chem shift
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atom chem shift.val err: 0.012

1,4961,879
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 37.510
atom chem shift.val err: 0.144

1,4961,880
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.seq id: 95
atom chem shift.val: 3.045
atom chem shift.val err: 0.005

1,4961,881
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 881
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 95
atom chem shift.val: 2.855
atom chem shift.val err: 0.004

1,4961,882
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 882
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atom chem shift.seq id: 95
atom chem shift.val: 173.896
atom chem shift.val err: 0.000

1,4961,883
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 883
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 96
atom chem shift.val: 105.926
atom chem shift.val err: 0.149

1,4961,884
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 884
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atom chem shift.val: 8.420
atom chem shift.val err: 0.014

1,4961,885
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 96
atom chem shift.val: 45.334
atom chem shift.val err: 0.050

1,4961,886
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.221
atom chem shift.val err: 0.000

1,4961,887
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.seq id: 96
atom chem shift.val: 3.637
atom chem shift.val err: 0.000

1,4961,888
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 888
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atom chem shift.val: 173.321
atom chem shift.val err: 0.000

1,4961,889
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 889
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 97
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 97
atom chem shift.val: 119.711
atom chem shift.val err: 0.180

1,4961,890
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 890
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atom chem shift.seq id: 97
atom chem shift.val: 7.850
atom chem shift.val err: 0.008

1,4961,891
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 891
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atom chem shift.seq id: 97
atom chem shift.val: 52.351
atom chem shift.val err: 0.043

1,4961,892
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 5.334
atom chem shift.val err: 0.015

1,4961,893
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 40.470
atom chem shift.val err: 0.038

1,4961,894
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.866
atom chem shift.val err: 0.004

1,4961,895
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.619
atom chem shift.val err: 0.007

1,4961,896
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 896
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atom chem shift.val: 176.258
atom chem shift.val err: 0.000

1,4961,897
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 897
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: 98
atom chem shift.val: 118.259
atom chem shift.val err: 0.193

1,4961,898
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 9.344
atom chem shift.val err: 0.016

1,4961,899
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 58.177
atom chem shift.val err: 0.049

1,4961,900
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 5.680
atom chem shift.val err: 0.010

1,4961,901
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 67.781
atom chem shift.val err: 0.000

1,4961,902
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,903
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,904
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,905
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.assembly atom id: 0
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atom chem shift.comp index id: 99
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atom chem shift.val: 116.681
atom chem shift.val err: 0.298

1,4961,906
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.868
atom chem shift.val err: 0.009

1,4961,907
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.040

1,4961,908
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 4.624
atom chem shift.val err: 0.014

1,4961,909
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 35.581
atom chem shift.val err: 0.062

1,4961,910
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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1,4961,911
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 911
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atom chem shift.val err: 0.016

1,4961,912
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.016

1,4961,913
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.016

1,4961,914
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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1,4961,915
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.id: 915
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1,4961,916
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,917
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.000

1,4961,918
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.000

1,4961,919
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.000

1,4961,920
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.192

1,4961,921
type: atom chem shift
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atom chem shift.val: 9.954
atom chem shift.val err: 0.010

1,4961,922
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.040

1,4961,923
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.023

1,4961,924
type: atom chem shift
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1,4961,925
type: atom chem shift
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atom chem shift.val err: 0.000

1,4961,926
type: atom chem shift
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atom chem shift.val err: 0.004

1,4961,927
type: atom chem shift
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1,4961,928
type: atom chem shift
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atom chem shift.val err: 0.000

1,4961,929
type: atom chem shift
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1,4961,930
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1,4961,931
type: atom chem shift
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1,4961,932
type: atom chem shift
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1,4961,933
type: atom chem shift
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1,4961,934
type: atom chem shift
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1,4961,935
type: atom chem shift
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1,4961,936
type: atom chem shift
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1,4961,938
type: atom chem shift
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1,4961,939
type: atom chem shift
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1,4961,940
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1,4961,941
type: atom chem shift
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1,4961,942
type: atom chem shift
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1,4961,943
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1,4961,944
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1,4961,945
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type: atom chem shift
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1,4961,975
type: atom chem shift
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atom chem shift.seq id: 107
atom chem shift.val: 36.159
atom chem shift.val err: 0.000

1,4961,1006
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1006
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atom chem shift.seq id: 107
atom chem shift.val: 2.416
atom chem shift.val err: 0.004

1,4961,1007
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1007
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atom chem shift.seq id: 107
atom chem shift.val: 2.327
atom chem shift.val err: 0.004

1,4961,1008
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1008
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atom chem shift.seq id: 107
atom chem shift.val: 34.629
atom chem shift.val err: 0.000

1,4961,1009
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 107
atom chem shift.val: 2.148
atom chem shift.val err: 0.004

1,4961,1010
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 2.068
atom chem shift.val err: 0.004

1,4961,1011
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1011
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atom chem shift.val: 174.407
atom chem shift.val err: 0.000

1,4961,1012
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1012
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 108
atom chem shift.val: 121.842
atom chem shift.val err: 0.187

1,4961,1013
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.seq id: 108
atom chem shift.val: 9.524
atom chem shift.val err: 0.012

1,4961,1014
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 108
atom chem shift.val: 54.803
atom chem shift.val err: 0.041

1,4961,1015
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1015
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atom chem shift.seq id: 108
atom chem shift.val: 4.771
atom chem shift.val err: 0.020

1,4961,1016
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 38.177
atom chem shift.val err: 0.000

1,4961,1017
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.186
atom chem shift.val err: 0.000

1,4961,1018
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.941
atom chem shift.val err: 0.000

1,4961,1019
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 30.879
atom chem shift.val err: 0.000

1,4961,1020
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.104
atom chem shift.val err: 0.004

1,4961,1021
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 2.818
atom chem shift.val err: 0.004

1,4961,1022
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 175.024
atom chem shift.val err: 0.000

1,4961,1023
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 118.024
atom chem shift.val err: 0.174

1,4961,1024
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.666
atom chem shift.val err: 0.014

1,4961,1025
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 61.417
atom chem shift.val err: 0.043

1,4961,1026
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 4.500
atom chem shift.val err: 0.010

1,4961,1027
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 69.286
atom chem shift.val err: 0.000

1,4961,1028
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1029
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1030
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 123.953
atom chem shift.val err: 0.112

1,4961,1031
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 8.689
atom chem shift.val err: 0.013

1,4961,1032
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.040

1,4961,1033
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.976
atom chem shift.val err: 0.026

1,4961,1034
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 42.122
atom chem shift.val err: 0.007

1,4961,1035
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,1036
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.004

1,4961,1037
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1038
type: atom chem shift
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atom chem shift.val err: 0.000

1,4961,1039
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1040
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1041
type: atom chem shift
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atom chem shift.val err: 0.000

1,4961,1042
type: atom chem shift
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atom chem shift.val err: 0.000

1,4961,1043
type: atom chem shift
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1,4961,1044
type: atom chem shift
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1,4961,1045
type: atom chem shift
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1,4961,1046
type: atom chem shift
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1,4961,1047
type: atom chem shift
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atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 58.794
atom chem shift.val err: 0.045

1,4961,1048
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1048
atom chem shift.ambiguity code: 1
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 3.963
atom chem shift.val err: 0.011

1,4961,1049
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1049
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 28.142
atom chem shift.val err: 0.102

1,4961,1050
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1050
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: GLN
atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 2.108
atom chem shift.val err: 0.000

1,4961,1051
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1051
atom chem shift.ambiguity code: 2
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atom chem shift.comp id: GLN
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 1.960
atom chem shift.val err: 0.000

1,4961,1052
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1052
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 33.311
atom chem shift.val err: 0.000

1,4961,1053
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1053
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 2.330
atom chem shift.val err: 0.000

1,4961,1054
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1054
atom chem shift.ambiguity code: 1
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atom chem shift.comp index id: 111
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 111
atom chem shift.val: 2.470
atom chem shift.val err: 0.000

1,4961,1055
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1055
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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
atom chem shift.seq id: 111
atom chem shift.val: 177.045
atom chem shift.val err: 0.000

1,4961,1056
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1056
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: ASP
atom chem shift.comp index id: 112
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 122.347
atom chem shift.val err: 0.161

1,4961,1057
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1057
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: 112
atom chem shift.val: 7.464
atom chem shift.val err: 0.016

1,4961,1058
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1058
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atom chem shift.comp id: ASP
atom chem shift.comp index id: 112
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 56.922
atom chem shift.val err: 0.063

1,4961,1059
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1059
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 4.148
atom chem shift.val err: 0.016

1,4961,1060
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1060
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 38.647
atom chem shift.val err: 0.138

1,4961,1061
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 112
atom chem shift.val: 2.788
atom chem shift.val err: 0.004

1,4961,1062
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1062
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 112
atom chem shift.val: 2.689
atom chem shift.val err: 0.004

1,4961,1063
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1063
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atom chem shift.comp index id: 112
atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 112
atom chem shift.val: 177.620
atom chem shift.val err: 0.000

1,4961,1064
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1064
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: ALA
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 113
atom chem shift.val: 121.461
atom chem shift.val err: 0.162

1,4961,1065
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1065
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: 113
atom chem shift.val: 8.314
atom chem shift.val err: 0.015

1,4961,1066
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1066
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 113
atom chem shift.val: 55.013
atom chem shift.val err: 0.054

1,4961,1067
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1067
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 113
atom chem shift.val: 4.111
atom chem shift.val err: 0.012

1,4961,1068
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1068
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atom chem shift.entity assembly id: 1
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atom chem shift.val: 1.755
atom chem shift.val err: 0.004

1,4961,1069
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1069
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atom chem shift.val: 1.755
atom chem shift.val err: 0.004

1,4961,1070
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 1.755
atom chem shift.val err: 0.004

1,4961,1071
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 19.978
atom chem shift.val err: 0.057

1,4961,1072
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1072
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atom chem shift.val: 178.322
atom chem shift.val err: 0.000

1,4961,1073
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1073
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 114
atom chem shift.val: 119.756
atom chem shift.val err: 0.174

1,4961,1074
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1074
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 114
atom chem shift.val: 8.392
atom chem shift.val err: 0.014

1,4961,1075
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1075
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atom chem shift.val: 61.463
atom chem shift.val err: 0.040

1,4961,1076
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1076
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atom chem shift.entity assembly id: 1
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atom chem shift.seq id: 114
atom chem shift.val: 3.698
atom chem shift.val err: 0.013

1,4961,1077
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1077
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atom chem shift.val: 33.240
atom chem shift.val err: 0.072

1,4961,1078
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1078
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atom chem shift.val: 2.243
atom chem shift.val err: 0.000

1,4961,1079
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.712
atom chem shift.val err: 0.000

1,4961,1080
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 25.406
atom chem shift.val err: 0.000

1,4961,1081
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.000

1,4961,1082
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 0.900
atom chem shift.val err: 0.000

1,4961,1083
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 31.082
atom chem shift.val err: 0.000

1,4961,1084
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.000

1,4961,1085
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.000

1,4961,1086
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1087
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1088
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1089
type: atom chem shift
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 114
atom chem shift.val: 176.755
atom chem shift.val err: 0.000

1,4961,1090
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1090
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N
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atom chem shift.comp id: VAL
atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 118.253
atom chem shift.val err: 0.154

1,4961,1091
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1091
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atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 7.324
atom chem shift.val err: 0.017

1,4961,1092
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1092
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atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 66.002
atom chem shift.val err: 0.091

1,4961,1093
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1093
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atom chem shift.comp index id: 115
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 3.671
atom chem shift.val err: 0.011

1,4961,1094
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1094
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atom chem shift.entity id: 1
atom chem shift.seq id: 115
atom chem shift.val: 32.097
atom chem shift.val err: 0.002

1,4961,1095
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1095
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atom chem shift.val: 2.345
atom chem shift.val err: 0.004

1,4961,1096
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1096
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atom chem shift.val: 23.074
atom chem shift.val err: 0.000

1,4961,1097
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1097
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atom chem shift.val: 21.047
atom chem shift.val err: 0.000

1,4961,1098
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.184
atom chem shift.val err: 0.004

1,4961,1099
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 1.184
atom chem shift.val err: 0.004

1,4961,1100
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.004

1,4961,1101
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.004

1,4961,1102
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.184
atom chem shift.val err: 0.004

1,4961,1103
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val err: 0.004

1,4961,1104
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 178.854
atom chem shift.val err: 0.000

1,4961,1105
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.seq id: 116
atom chem shift.val: 121.148
atom chem shift.val err: 0.158

1,4961,1106
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
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atom chem shift.val: 7.941
atom chem shift.val err: 0.016

1,4961,1107
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 57.823
atom chem shift.val err: 0.046

1,4961,1108
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 3.855
atom chem shift.val err: 0.023

1,4961,1109
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 41.404
atom chem shift.val err: 0.117

1,4961,1110
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val: 1.907
atom chem shift.val err: 0.004

1,4961,1111
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 1.818
atom chem shift.val err: 0.004

1,4961,1112
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 26.825
atom chem shift.val err: 0.000

1,4961,1113
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.004

1,4961,1114
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
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atom chem shift.val err: 0.000

1,4961,1115
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1116
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1117
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1118
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1119
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1120
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1121
type: atom chem shift
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1,4961,1122
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1123
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1124
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val: 9.148
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1,4961,1125
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.043

1,4961,1126
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1127
type: atom chem shift
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1,4961,1128
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1129
type: atom chem shift
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1,4961,1130
type: atom chem shift
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1,4961,1131
type: atom chem shift
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atom chem shift.val err: 0.000

1,4961,1132
type: atom chem shift
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atom chem shift.val err: 0.000

1,4961,1133
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1134
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1135
type: atom chem shift
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atom chem shift.val err: 0.000

1,4961,1136
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1137
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1138
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1139
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.175

1,4961,1140
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.018

1,4961,1141
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.050

1,4961,1142
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.009

1,4961,1143
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1144
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.000

1,4961,1145
type: atom chem shift
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atom chem shift.val err: 0.000

1,4961,1146
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atom chem shift.val: 125.443
atom chem shift.val err: 0.073

1,4961,1147
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.016

1,4961,1148
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.058

1,4961,1149
type: atom chem shift
of datablock: info:bmrb/4961
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atom chem shift.val err: 0.009

1,4961,1150
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1151
type: atom chem shift
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1,4961,1152
type: atom chem shift
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1,4961,1153
type: atom chem shift
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1,4961,1154
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1155
type: atom chem shift
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atom chem shift.val err: 0.130

1,4961,1156
type: atom chem shift
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atom chem shift.val err: 0.016

1,4961,1157
type: atom chem shift
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1,4961,1158
type: atom chem shift
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1,4961,1159
type: atom chem shift
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1,4961,1160
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1,4961,1162
type: atom chem shift
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1,4961,1163
type: atom chem shift
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1,4961,1164
type: atom chem shift
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1,4961,1165
type: atom chem shift
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1,4961,1166
type: atom chem shift
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1,4961,1167
type: atom chem shift
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1,4961,1168
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1,4961,1169
type: atom chem shift
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1,4961,1170
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1,4961,1171
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1,4961,1173
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atom chem shift.val err: 0.000

1,4961,1174
type: atom chem shift
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1,4961,1175
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1,4961,1176
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1177
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1,4961,1178
type: atom chem shift
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1,4961,1179
type: atom chem shift
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1,4961,1180
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1181
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of datablock: info:bmrb/4961
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1,4961,1182
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1183
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1184
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1185
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1186
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1187
type: atom chem shift
of datablock: info:bmrb/4961
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1,4961,1190
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1,4961,1192
type: atom chem shift
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1,4961,1193
type: atom chem shift
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1,4961,1194
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1,4961,1196
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1,4961,1197
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1,4961,1201
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1,4961,1202
type: atom chem shift
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1,4961,1203
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1,4961,1204
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1,4961,1206
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atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 4.390
atom chem shift.val err: 0.008

1,4961,1216
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1216
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: SER
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 63.511
atom chem shift.val err: 0.004

1,4961,1217
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1217
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB2
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: SER
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 4.810
atom chem shift.val err: 0.008

1,4961,1218
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1218
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HB3
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: SER
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 4.675
atom chem shift.val err: 0.005

1,4961,1219
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1219
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: SER
atom chem shift.comp index id: 125
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 125
atom chem shift.val: 175.258
atom chem shift.val err: 0.000

1,4961,1220
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1220
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: 126
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 126
atom chem shift.val: 111.032
atom chem shift.val err: 0.163

1,4961,1221
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1221
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: GLY
atom chem shift.comp index id: 126
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 126
atom chem shift.val: 8.184
atom chem shift.val err: 0.019

1,4961,1222
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1222
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: GLY
atom chem shift.comp index id: 126
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 126
atom chem shift.val: 45.616
atom chem shift.val err: 0.042

1,4961,1223
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1223
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: GLY
atom chem shift.comp index id: 126
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 126
atom chem shift.val: 173.874
atom chem shift.val err: 0.000

1,4961,1224
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1224
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: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 124.055
atom chem shift.val err: 1.237

1,4961,1225
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1225
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: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 8.079
atom chem shift.val err: 0.059

1,4961,1226
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1226
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: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 52.829
atom chem shift.val err: 0.040

1,4961,1227
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1227
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: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 4.355
atom chem shift.val err: 0.017

1,4961,1228
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1228
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: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 1.462
atom chem shift.val err: 0.004

1,4961,1229
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1229
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: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 1.462
atom chem shift.val err: 0.004

1,4961,1230
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1230
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: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 1.462
atom chem shift.val err: 0.004

1,4961,1231
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1231
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: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 18.864
atom chem shift.val err: 0.016

1,4961,1232
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1232
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: 127
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 127
atom chem shift.val: 177.556
atom chem shift.val err: 0.000

1,4961,1233
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1233
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: 128
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 128
atom chem shift.val: 120.483
atom chem shift.val err: 0.179

1,4961,1234
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1234
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: 128
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 128
atom chem shift.val: 8.250
atom chem shift.val err: 0.017

1,4961,1235
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1235
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: 128
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 128
atom chem shift.val: 56.533
atom chem shift.val err: 0.040

1,4961,1236
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1236
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: HA
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.comp id: ARG
atom chem shift.comp index id: 128
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 128
atom chem shift.val: 4.321
atom chem shift.val err: 0.017

1,4961,1237
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1237
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: 128
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 128
atom chem shift.val: 30.533
atom chem shift.val err: 0.143

1,4961,1238
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1238
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: 128
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 128
atom chem shift.val: 27.230
atom chem shift.val err: 0.000

1,4961,1239
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1239
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: 128
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 128
atom chem shift.val: 43.548
atom chem shift.val err: 0.000

1,4961,1240
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1240
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: 128
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 128
atom chem shift.val: 176.577
atom chem shift.val err: 0.000

1,4961,1241
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1241
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: 129
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 129
atom chem shift.val: 110.290
atom chem shift.val err: 0.157

1,4961,1242
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1242
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: GLY
atom chem shift.comp index id: 129
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 129
atom chem shift.val: 8.374
atom chem shift.val err: 0.013

1,4961,1243
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1243
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: GLY
atom chem shift.comp index id: 129
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 129
atom chem shift.val: 45.303
atom chem shift.val err: 0.038

1,4961,1244
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1244
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: GLY
atom chem shift.comp index id: 129
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 129
atom chem shift.val: 173.683
atom chem shift.val err: 0.000

1,4961,1245
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1245
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: SER
atom chem shift.comp index id: 130
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 130
atom chem shift.val: 116.388
atom chem shift.val err: 0.181

1,4961,1246
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1246
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: SER
atom chem shift.comp index id: 130
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 130
atom chem shift.val: 8.185
atom chem shift.val err: 0.013

1,4961,1247
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1247
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: SER
atom chem shift.comp index id: 130
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 130
atom chem shift.val: 58.323
atom chem shift.val err: 0.053

1,4961,1248
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1248
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: SER
atom chem shift.comp index id: 130
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 130
atom chem shift.val: 4.391
atom chem shift.val err: 0.004

1,4961,1249
type: atom chem shift
of datablock: info:bmrb/4961
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 4961
atom chem shift.id: 1249
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: SER
atom chem shift.comp index id: 130
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 130
atom chem shift.val: 63.701
atom chem shift.val err: 0.000

4961,PTR
type: chem comp
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp.entry id: 4961
chem comp.id: PTR
chem comp.ambiguous flag: no
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 Thu Jun 16 11:19:43 2011
chem comp.formal charge: 0
chem comp.formula: C9 H12 N O6 P
chem comp.formula weight: 261.168
chem comp.ideal coordinates missing flag: no
chem comp.initial date: 1999-07-07Z
chem comp.model coordinates missing flag: no
chem comp.modified date: 2011-06-03Z
chem comp.mon nstd parent comp id: TYR
chem comp.name: O-PHOSPHOTYROSINE
chem comp.one letter code: Y
chem comp.pdb code: PTR
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.release status: REL
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_PTR
chem comp.synonyms: PHOSPHONOTYROSINE
chem comp.three letter code: PTR
chem comp.type: L-PEPTIDE LINKING

info:pdb-ccd/PTR

urn:miriam:pdb-ccd:PTR

info:pdb.ligand/PTR

urn:miriam:pdb.ligand:PTR

N,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: N
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 46.366
chem comp atom.model cartn x ideal: 1.298
chem comp atom.model cartn y: 11.139
chem comp atom.model cartn y ideal: 0.975
chem comp atom.model cartn z: -0.665
chem comp atom.model cartn z ideal: 3.302
chem comp atom.pdb atom id: N
chem comp atom.pdbx ordinal: 1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

CA,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: CA
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 44.969
chem comp atom.model cartn x ideal: -0.036
chem comp atom.model cartn y: 11.616
chem comp atom.model cartn y ideal: 0.399
chem comp atom.model cartn z: -0.749
chem comp atom.model cartn z ideal: 3.512
chem comp atom.pdb atom id: CA
chem comp atom.pdbx ordinal: 2
chem comp atom.stereo config: S
chem comp atom.type symbol: C

C,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: C
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 44.978
chem comp atom.model cartn x ideal: -0.148
chem comp atom.model cartn y: 13.010
chem comp atom.model cartn y ideal: -0.106
chem comp atom.model cartn z: -1.358
chem comp atom.model cartn z ideal: 4.928
chem comp atom.pdb atom id: C
chem comp atom.pdbx ordinal: 3
chem comp atom.stereo config: N
chem comp atom.type symbol: C

O,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: O
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 43.891
chem comp atom.model cartn x ideal: 0.833
chem comp atom.model cartn y: 13.514
chem comp atom.model cartn y ideal: -0.507
chem comp atom.model cartn z: -1.708
chem comp atom.model cartn z ideal: 5.505
chem comp atom.pdb atom id: O
chem comp atom.pdbx ordinal: 4
chem comp atom.stereo config: N
chem comp atom.type symbol: O

OXT,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: OXT
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 46.088
chem comp atom.model cartn x ideal: -1.339
chem comp atom.model cartn y: 13.575
chem comp atom.model cartn y ideal: -0.110
chem comp atom.model cartn z: -1.497
chem comp atom.model cartn z ideal: 5.546
chem comp atom.pdb atom id: OXT
chem comp atom.pdbx ordinal: 5
chem comp atom.stereo config: N
chem comp atom.type symbol: O

CB,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: CB
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 44.332
chem comp atom.model cartn x ideal: -0.250
chem comp atom.model cartn y: 11.618
chem comp atom.model cartn y ideal: -0.760
chem comp atom.model cartn z: 0.644
chem comp atom.model cartn z ideal: 2.538
chem comp atom.pdb atom id: CB
chem comp atom.pdbx ordinal: 6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CG,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: CG
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 44.885
chem comp atom.model cartn x ideal: -0.138
chem comp atom.model cartn y: 12.640
chem comp atom.model cartn y ideal: -0.254
chem comp atom.model cartn z: 1.620
chem comp atom.model cartn z ideal: 1.123
chem comp atom.pdb atom id: CG
chem comp atom.pdbx ordinal: 7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CD1,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: CD1
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 45.913
chem comp atom.model cartn x ideal: 1.089
chem comp atom.model cartn y: 12.302
chem comp atom.model cartn y ideal: -0.250
chem comp atom.model cartn z: 2.506
chem comp atom.model cartn z ideal: 0.487
chem comp atom.pdb atom id: CD1
chem comp atom.pdbx ordinal: 8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CD2,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: CD2
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 44.319
chem comp atom.model cartn x ideal: -1.264
chem comp atom.model cartn y: 13.921
chem comp atom.model cartn y ideal: 0.198
chem comp atom.model cartn z: 1.716
chem comp atom.model cartn z ideal: 0.461
chem comp atom.pdb atom id: CD2
chem comp atom.pdbx ordinal: 9
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CE1,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: CE1
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 46.364
chem comp atom.model cartn x ideal: 1.194
chem comp atom.model cartn y: 13.214
chem comp atom.model cartn y ideal: 0.212
chem comp atom.model cartn z: 3.480
chem comp atom.model cartn z ideal: -0.810
chem comp atom.pdb atom id: CE1
chem comp atom.pdbx ordinal: 10
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CE2,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: CE2
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 44.753
chem comp atom.model cartn x ideal: -1.163
chem comp atom.model cartn y: 14.849
chem comp atom.model cartn y ideal: 0.668
chem comp atom.model cartn z: 2.683
chem comp atom.model cartn z ideal: -0.834
chem comp atom.pdb atom id: CE2
chem comp atom.pdbx ordinal: 11
chem comp atom.stereo config: N
chem comp atom.type symbol: C

CZ,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: CZ
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: yes
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 45.772
chem comp atom.model cartn x ideal: 0.067
chem comp atom.model cartn y: 14.487
chem comp atom.model cartn y ideal: 0.673
chem comp atom.model cartn z: 3.562
chem comp atom.model cartn z ideal: -1.474
chem comp atom.pdb atom id: CZ
chem comp atom.pdbx ordinal: 12
chem comp atom.stereo config: N
chem comp atom.type symbol: C

OH,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: OH
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 46.216
chem comp atom.model cartn x ideal: 0.168
chem comp atom.model cartn y: 15.385
chem comp atom.model cartn y ideal: 1.129
chem comp atom.model cartn z: 4.594
chem comp atom.model cartn z ideal: -2.750
chem comp atom.pdb atom id: OH
chem comp atom.pdbx ordinal: 13
chem comp atom.stereo config: N
chem comp atom.type symbol: O

P,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: P
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 45.382
chem comp atom.model cartn x ideal: -0.065
chem comp atom.model cartn y: 15.884
chem comp atom.model cartn y ideal: -0.136
chem comp atom.model cartn z: 5.757
chem comp atom.model cartn z ideal: -3.717
chem comp atom.pdb atom id: P
chem comp atom.pdbx ordinal: 14
chem comp atom.stereo config: N
chem comp atom.type symbol: P

O1P,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: O1P
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 44.096
chem comp atom.model cartn x ideal: -1.409
chem comp atom.model cartn y: 16.422
chem comp atom.model cartn y ideal: -0.705
chem comp atom.model cartn z: 5.355
chem comp atom.model cartn z ideal: -3.467
chem comp atom.pdb atom id: O1P
chem comp atom.pdbx ordinal: 15
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O2P,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: O2P
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 46.274
chem comp atom.model cartn x ideal: 0.040
chem comp atom.model cartn y: 16.938
chem comp atom.model cartn y ideal: 0.334
chem comp atom.model cartn z: 6.218
chem comp atom.model cartn z ideal: -5.253
chem comp atom.pdb atom id: O2P
chem comp atom.pdbx ordinal: 16
chem comp atom.stereo config: N
chem comp atom.type symbol: O

O3P,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: O3P
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 45.279
chem comp atom.model cartn x ideal: 1.053
chem comp atom.model cartn y: 14.830
chem comp atom.model cartn y ideal: -1.253
chem comp atom.model cartn z: 6.778
chem comp atom.model cartn z ideal: -3.419
chem comp atom.pdb atom id: O3P
chem comp atom.pdbx ordinal: 17
chem comp atom.stereo config: N
chem comp atom.type symbol: O

H,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: H
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 46.360
chem comp atom.model cartn x ideal: 1.963
chem comp atom.model cartn y: 10.204
chem comp atom.model cartn y ideal: 0.235
chem comp atom.model cartn z: -0.256
chem comp atom.model cartn z ideal: 3.473
chem comp atom.pdb atom id: H
chem comp atom.pdbx ordinal: 18
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN2,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: HN2
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 46.972
chem comp atom.model cartn x ideal: 1.365
chem comp atom.model cartn y: 11.785
chem comp atom.model cartn y ideal: 1.204
chem comp atom.model cartn z: -0.159
chem comp atom.model cartn z ideal: 2.322
chem comp atom.pdb atom id: HN2
chem comp atom.pdbx ordinal: 19
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HA,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: HA
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 44.360
chem comp atom.model cartn x ideal: -0.793
chem comp atom.model cartn y: 10.939
chem comp atom.model cartn y ideal: 1.164
chem comp atom.model cartn z: -1.392
chem comp atom.model cartn z ideal: 3.339
chem comp atom.pdb atom id: HA
chem comp atom.pdbx ordinal: 20
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HXT,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: HXT
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: yes
chem comp atom.model cartn x: 46.093
chem comp atom.model cartn x ideal: -1.411
chem comp atom.model cartn y: 14.445
chem comp atom.model cartn y ideal: -0.435
chem comp atom.model cartn z: -1.877
chem comp atom.model cartn z ideal: 6.454
chem comp atom.pdb atom id: HXT
chem comp atom.pdbx ordinal: 21
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB2,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: HB2
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 43.226
chem comp atom.model cartn x ideal: 0.506
chem comp atom.model cartn y: 11.735
chem comp atom.model cartn y ideal: -1.525
chem comp atom.model cartn z: 0.556
chem comp atom.model cartn z ideal: 2.711
chem comp atom.pdb atom id: HB2
chem comp atom.pdbx ordinal: 22
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HB3,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: HB3
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 44.388
chem comp atom.model cartn x ideal: -1.241
chem comp atom.model cartn y: 10.597
chem comp atom.model cartn y ideal: -1.187
chem comp atom.model cartn z: 1.089
chem comp atom.model cartn z ideal: 2.694
chem comp atom.pdb atom id: HB3
chem comp atom.pdbx ordinal: 23
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HD1,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: HD1
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 46.374
chem comp atom.model cartn x ideal: 1.966
chem comp atom.model cartn y: 11.302
chem comp atom.model cartn y ideal: -0.609
chem comp atom.model cartn z: 2.435
chem comp atom.model cartn z ideal: 1.004
chem comp atom.pdb atom id: HD1
chem comp atom.pdbx ordinal: 24
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HD2,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: HD2
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 43.515
chem comp atom.model cartn x ideal: -2.222
chem comp atom.model cartn y: 14.204
chem comp atom.model cartn y ideal: 0.194
chem comp atom.model cartn z: 1.015
chem comp atom.model cartn z ideal: 0.959
chem comp atom.pdb atom id: HD2
chem comp atom.pdbx ordinal: 25
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HE1,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: HE1
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 47.174
chem comp atom.model cartn x ideal: 2.154
chem comp atom.model cartn y: 12.933
chem comp atom.model cartn y ideal: 0.216
chem comp atom.model cartn z: 4.173
chem comp atom.model cartn z ideal: -1.306
chem comp atom.pdb atom id: HE1
chem comp atom.pdbx ordinal: 26
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HE2,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: HE2
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 44.298
chem comp atom.model cartn x ideal: -2.041
chem comp atom.model cartn y: 15.851
chem comp atom.model cartn y ideal: 1.026
chem comp atom.model cartn z: 2.751
chem comp atom.model cartn z ideal: -1.349
chem comp atom.pdb atom id: HE2
chem comp atom.pdbx ordinal: 27
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO2P,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: HO2P
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 45.751
chem comp atom.model cartn x ideal: -0.105
chem comp atom.model cartn y: 17.250
chem comp atom.model cartn y ideal: -0.451
chem comp atom.model cartn z: 6.947
chem comp atom.model cartn z ideal: -5.797
chem comp atom.pdb atom id: HO2P
chem comp atom.pdbx ordinal: 28
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HO3P,PTR,4961
type: chem comp atom
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem comp atom.atom id: HO3P
chem comp atom.comp id: PTR
chem comp atom.entry id: 4961
chem comp atom.aromatic flag: no
chem comp atom.charge: 0
chem comp atom.leaving atom flag: no
chem comp atom.model cartn x: 44.756
chem comp atom.model cartn x ideal: 1.911
chem comp atom.model cartn y: 15.142
chem comp atom.model cartn y ideal: -0.843
chem comp atom.model cartn z: 7.507
chem comp atom.model cartn z ideal: -3.593
chem comp atom.pdb atom id: HO3P
chem comp atom.pdbx ordinal: 29
chem comp atom.stereo config: N
chem comp atom.type symbol: H

PTR,4961,1
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 1
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: CA
chem comp bond.ordinal: 1
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,2
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 2
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: H
chem comp bond.ordinal: 2
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,3
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 3
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: N
chem comp bond.atom id 2: HN2
chem comp bond.ordinal: 3
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,4
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 4
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: C
chem comp bond.ordinal: 4
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,5
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 5
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: CB
chem comp bond.ordinal: 5
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,6
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 6
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CA
chem comp bond.atom id 2: HA
chem comp bond.ordinal: 6
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,7
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 7
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: O
chem comp bond.ordinal: 7
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PTR,4961,8
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 8
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: C
chem comp bond.atom id 2: OXT
chem comp bond.ordinal: 8
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,9
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 9
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OXT
chem comp bond.atom id 2: HXT
chem comp bond.ordinal: 9
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,10
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 10
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: CG
chem comp bond.ordinal: 10
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,11
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 11
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB2
chem comp bond.ordinal: 11
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,12
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 12
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CB
chem comp bond.atom id 2: HB3
chem comp bond.ordinal: 12
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,13
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 13
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD1
chem comp bond.ordinal: 13
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PTR,4961,14
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 14
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CG
chem comp bond.atom id 2: CD2
chem comp bond.ordinal: 14
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,15
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 15
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: CE1
chem comp bond.ordinal: 15
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,16
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 16
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CD1
chem comp bond.atom id 2: HD1
chem comp bond.ordinal: 16
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,17
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 17
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: CE2
chem comp bond.ordinal: 17
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PTR,4961,18
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 18
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CD2
chem comp bond.atom id 2: HD2
chem comp bond.ordinal: 18
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,19
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 19
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: CZ
chem comp bond.ordinal: 19
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PTR,4961,20
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 20
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CE1
chem comp bond.atom id 2: HE1
chem comp bond.ordinal: 20
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,21
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 21
chem comp bond.aromatic flag: yes
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: CZ
chem comp bond.ordinal: 21
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,22
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 22
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CE2
chem comp bond.atom id 2: HE2
chem comp bond.ordinal: 22
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,23
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 23
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: CZ
chem comp bond.atom id 2: OH
chem comp bond.ordinal: 23
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,24
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 24
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: OH
chem comp bond.atom id 2: P
chem comp bond.ordinal: 24
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,25
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 25
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P
chem comp bond.atom id 2: O1P
chem comp bond.ordinal: 25
chem comp bond.stereo config: N
chem comp bond.value order: DOUB

PTR,4961,26
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 26
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P
chem comp bond.atom id 2: O2P
chem comp bond.ordinal: 26
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,27
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 27
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: P
chem comp bond.atom id 2: O3P
chem comp bond.ordinal: 27
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,28
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 28
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O2P
chem comp bond.atom id 2: HO2P
chem comp bond.ordinal: 28
chem comp bond.stereo config: N
chem comp bond.value order: SING

PTR,4961,29
type: chem comp bond
of datablock: info:bmrb/4961
chem comp bond.comp id: PTR
chem comp bond.entry id: 4961
chem comp bond.id: 29
chem comp bond.aromatic flag: no
chem comp bond.atom id 1: O3P
chem comp bond.atom id 2: HO3P
chem comp bond.ordinal: 29
chem comp bond.stereo config: N
chem comp bond.value order: SING

https://bmrbpub.pdbj.org/rdf/bmr4961/chem_comp_descriptor/PTR,c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O,4961,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4961
chem comp descriptor.comp id: PTR
chem comp descriptor.descriptor: c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O
chem comp descriptor.entry id: 4961
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr4961/chem_comp_descriptor/PTR,c1cc(ccc1C(CaaH)(C(=O)O)N)OP(=O)(O)O,4961,OECHEM,1.5.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4961
chem comp descriptor.comp id: PTR
chem comp descriptor.descriptor: c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O
chem comp descriptor.entry id: 4961
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

PTR,DCWXELXMIBXGTH-QMMMGPOBSA-N,4961,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4961
chem comp descriptor.comp id: PTR
chem comp descriptor.descriptor: DCWXELXMIBXGTH-QMMMGPOBSA-N
chem comp descriptor.entry id: 4961
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

s1,4961,na,1.03,INCHI
type: chem comp descriptor
of datablock: info:bmrb/4961
chem comp descriptor.comp id: PTR
chem comp descriptor.descriptor: InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
chem comp descriptor.entry id: 4961
chem comp descriptor.program: na
chem comp descriptor.program version: 1.03
chem comp descriptor.type: INCHI

https://bmrbpub.pdbj.org/rdf/bmr4961/chem_comp_descriptor/PTR,N(CaaH)(Cc1ccc(O(P)(O)(O)=O)cc1)C(O)=O,4961,CACTVS,3.341,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/4961
chem comp descriptor.comp id: PTR
chem comp descriptor.descriptor: N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
chem comp descriptor.entry id: 4961
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

https://bmrbpub.pdbj.org/rdf/bmr4961/chem_comp_descriptor/PTR,N(CH)(Cc1ccc(O(P)(O)(O)=O)cc1)C(O)=O,4961,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4961
chem comp descriptor.comp id: PTR
chem comp descriptor.descriptor: N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O
chem comp descriptor.entry id: 4961
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

https://bmrbpub.pdbj.org/rdf/bmr4961/chem_comp_descriptor/PTR,O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O,4961,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/4961
chem comp descriptor.comp id: PTR
chem comp descriptor.descriptor: O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O
chem comp descriptor.entry id: 4961
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

PTR,4961,(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/4961
chem comp identifier.comp id: PTR
chem comp identifier.entry id: 4961
chem comp identifier.identifier: (2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

PTR,4961,O-phosphono-L-tyrosine,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/4961
chem comp identifier.comp id: PTR
chem comp identifier.entry id: 4961
chem comp identifier.identifier: O-phosphono-L-tyrosine
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

1,4961,1
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 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: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 61
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,2
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 2
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 62
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
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: 49610301

1,4961,3
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: VAL
chem shift completeness char.comp index id: 63
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 49610301

1,4961,4
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 4
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 64
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: 49610301

1,4961,5
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 65
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 49610301

1,4961,6
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: VAL
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: 49610301

1,4961,7
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: VAL
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: 49610301

1,4961,8
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 68
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 49610301

1,4961,9
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.750
chem shift completeness char.chem shift coverage: 0.889
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 69
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 49610301

1,4961,10
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLN
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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.222
chem shift completeness char.sf id: 49610301

1,4961,11
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 11
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 71
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 49610301

1,4961,12
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: ASP
chem shift completeness char.comp index id: 72
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,13
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: THR
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: 49610301

1,4961,14
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: ALA
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.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: 49610301

1,4961,15
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.200
chem shift completeness char.chem shift coverage: 0.529
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 75
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,16
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.857
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 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: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 0.500
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.778
chem shift completeness char.sf id: 49610301

1,4961,17
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.714
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 77
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.600
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 49610301

1,4961,18
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 18
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 49610301

1,4961,19
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 19
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 79
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,20
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 20
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 80
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 0.500
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 49610301

1,4961,21
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 21
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 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: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.667
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 49610301

1,4961,22
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.941
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 82
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.917
chem shift completeness char.sf id: 49610301

1,4961,23
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 23
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.400
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.583
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 83
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 49610301

1,4961,24
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 24
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: ASN
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 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: 49610301

1,4961,25
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 25
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: 85
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: 49610301

1,4961,26
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 26
chem shift completeness char.bb chem shift 13c coverage: 0.333
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.500
chem shift completeness char.bb chem shift coverage: 0.500
chem shift completeness char.chem shift 13c coverage: 0.333
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.167
chem shift completeness char.chem shift coverage: 0.273
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 86
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 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: 49610301

1,4961,27
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 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: 0.500
chem shift completeness char.chem shift coverage: 0.545
chem shift completeness char.comp id: ASN
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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 49610301

1,4961,28
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 28
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: TYR
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: 0.200
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.091
chem shift completeness char.sf id: 49610301

1,4961,29
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 29
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,30
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 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: 49610301

1,4961,31
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.222
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 91
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 49610301

1,4961,32
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 92
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,33
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 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: 49610301

1,4961,34
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 34
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 94
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: 49610301

1,4961,35
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 49610301

1,4961,36
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: GLY
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.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,37
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 49610301

1,4961,38
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: SER
chem shift completeness char.comp index id: 98
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 49610301

1,4961,39
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 39
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 99
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,40
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 100
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 49610301

1,4961,41
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.909
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 101
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.667
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 49610301

1,4961,42
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 102
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,43
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 43
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.167
chem shift completeness char.chem shift 13c coverage: 0.167
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.286
chem shift completeness char.chem shift coverage: 0.214
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 103
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.400
chem shift completeness char.sc chem shift coverage: 0.222
chem shift completeness char.sf id: 49610301

1,4961,44
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 44
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.889
chem shift completeness char.chem shift coverage: 0.875
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 104
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.857
chem shift completeness char.sc chem shift coverage: 0.818
chem shift completeness char.sf id: 49610301

1,4961,45
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: SER
chem shift completeness char.comp index id: 105
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 49610301

1,4961,46
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 46
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 106
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: 49610301

1,4961,47
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 107
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 49610301

1,4961,48
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.857
chem shift completeness char.chem shift coverage: 0.846
chem shift completeness char.comp id: MET
chem shift completeness char.comp index id: 108
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.667
chem shift completeness char.sc chem shift 1h coverage: 0.800
chem shift completeness char.sc chem shift coverage: 0.750
chem shift completeness char.sf id: 49610301

1,4961,49
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 49
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.750
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.778
chem shift completeness char.comp id: THR
chem shift completeness char.comp index id: 109
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 0.000
chem shift completeness char.methyl chem shift coverage: 0.000
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 49610301

1,4961,50
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.714
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 110
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.600
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 49610301

1,4961,51
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.750
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 111
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 49610301

1,4961,52
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: ASP
chem shift completeness char.comp index id: 112
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 49610301

1,4961,53
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 53
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 113
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: 49610301

1,4961,54
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: LYS
chem shift completeness char.comp index id: 114
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 49610301

1,4961,55
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 55
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 115
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: 49610301

1,4961,56
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: LEU
chem shift completeness char.comp index id: 116
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 49610301

1,4961,57
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 57
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 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: 117
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: 49610301

1,4961,58
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.667
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 118
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 49610301

1,4961,59
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 59
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 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: 119
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: 49610301

1,4961,60
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: ALA
chem shift completeness char.comp index id: 120
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 49610301

1,4961,61
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: LEU
chem shift completeness char.comp index id: 121
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 49610301

1,4961,62
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 122
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.455
chem shift completeness char.sf id: 49610301

1,4961,63
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 123
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 49610301

1,4961,64
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 124
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: 49610301

1,4961,65
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 65
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 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: 125
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 49610301

1,4961,66
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 66
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.600
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 126
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: 49610301

1,4961,67
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: ALA
chem shift completeness char.comp index id: 127
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.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: 49610301

1,4961,68
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.222
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 128
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 49610301

1,4961,69
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 69
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.600
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 129
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: 49610301

1,4961,70
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 130
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,71
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 71
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: 131
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: 49610301

1,4961,72
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 72
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: 132
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 49610301

1,4961,73
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 73
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: 133
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 49610301

1,4961,74
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 74
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 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: 134
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 49610301

1,4961,75
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 75
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
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: 135
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: 49610301

1,4961,76
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 76
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
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: 136
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 49610301

1,4961,77
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 77
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: 1
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 49610301

1,4961,78
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 78
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: 2
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 49610301

1,4961,79
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 79
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: 4
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 49610301

1,4961,80
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 80
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: 5
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 49610301

1,4961,81
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 81
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PRO
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 49610301

1,4961,82
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 82
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 15n coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.000
chem shift completeness char.chem shift 13c coverage: 0.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.000
chem shift completeness char.chem shift coverage: 0.000
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 7
chem shift completeness char.entity assembly id: 2
chem shift completeness char.entity id: 2
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.000
chem shift completeness char.sf id: 49610301

1,4961,83
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.800
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.714
chem shift completeness char.chem shift coverage: 0.769
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: 0.667
chem shift completeness char.sc chem shift 1h coverage: 0.600
chem shift completeness char.sc chem shift coverage: 0.625
chem shift completeness char.sf id: 49610301

1,4961,84
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 84
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 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: 0.500
chem shift completeness char.chem shift coverage: 0.545
chem shift completeness char.comp id: ASN
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.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 49610301

1,4961,85
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: LEU
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.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: 49610301

1,4961,86
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 4
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,87
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: LEU
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: 49610301

1,4961,88
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: SER
chem shift completeness char.comp index id: 6
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 49610301

1,4961,89
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: ASP
chem shift completeness char.comp index id: 7
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,90
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 49610301

1,4961,91
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 91
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: HIS
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.429
chem shift completeness char.sf id: 49610301

1,4961,92
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 10
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.455
chem shift completeness char.sf id: 49610301

1,4961,93
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.250
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.222
chem shift completeness char.sf id: 49610301

1,4961,94
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: VAL
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.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: 49610301

1,4961,95
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 95
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.625
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 49610301

1,4961,96
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.600
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.222
chem shift completeness char.chem shift coverage: 0.375
chem shift completeness char.comp id: ARG
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: 0.333
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: 0.091
chem shift completeness char.sf id: 49610301

1,4961,97
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.714
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.600
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 49610301

1,4961,98
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.600
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: VAL
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.500
chem shift completeness char.sc chem shift 13c coverage: 0.333
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 49610301

1,4961,99
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: GLN
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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 49610301

1,4961,100
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.500
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: GLN
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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 49610301

1,4961,101
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.667
chem shift completeness char.chem shift coverage: 0.818
chem shift completeness char.comp id: GLU
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: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 49610301

1,4961,102
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 102
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 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: 20
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,103
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 103
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.600
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 21
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: 49610301

1,4961,104
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 104
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: 22
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,105
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 105
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: 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 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,106
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 106
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: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,107
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 0.000
chem shift completeness char.bb chem shift coverage: 0.600
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 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: 49610301

1,4961,108
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 108
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: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.250
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: 49610301

1,4961,109
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 109
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.714
chem shift completeness char.chem shift coverage: 0.786
chem shift completeness char.comp id: LEU
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.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.600
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 49610301

1,4961,110
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 110
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.222
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: ARG
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 49610301

1,4961,111
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 111
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.000
chem shift completeness char.bb chem shift coverage: 0.600
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.667
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 29
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: 49610301

1,4961,112
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 112
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 49610301

1,4961,113
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 113
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: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 49610301

1,4961,114
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 114
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: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,115
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 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: 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: 49610301

1,4961,116
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 116
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.667
chem shift completeness char.chem shift coverage: 0.727
chem shift completeness char.comp id: ASN
chem shift completeness char.comp index id: 34
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 49610301

1,4961,117
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 117
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.667
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.200
chem shift completeness char.chem shift coverage: 0.412
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 49610301

1,4961,118
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 118
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: 0.333
chem shift completeness char.chem shift coverage: 0.636
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 36
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,119
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 119
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: 49610301

1,4961,120
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 120
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: 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: 49610301

1,4961,121
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 121
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.444
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 39
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.231
chem shift completeness char.sf id: 49610301

1,4961,122
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 122
chem shift completeness char.bb chem shift 13c coverage: 0.667
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.833
chem shift completeness char.chem shift 13c coverage: 0.500
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: GLN
chem shift completeness char.comp index id: 40
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,123
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 123
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: GLY
chem shift completeness char.comp index id: 41
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,124
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 124
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: 42
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 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: 49610301

1,4961,125
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 125
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: 43
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 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: 49610301

1,4961,126
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 126
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ILE
chem shift completeness char.comp index id: 44
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,127
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 127
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: 45
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,128
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 128
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: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
chem shift completeness char.comp index id: 46
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,129
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 129
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: 47
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: 49610301

1,4961,130
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 130
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: 48
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: 49610301

1,4961,131
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 131
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.222
chem shift completeness char.chem shift coverage: 0.500
chem shift completeness char.comp id: ARG
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 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.273
chem shift completeness char.sf id: 49610301

1,4961,132
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: 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: 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: 49610301

1,4961,133
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 133
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.750
chem shift completeness char.comp id: SER
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: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,134
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 134
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.333
chem shift completeness char.chem shift coverage: 0.636
chem shift completeness char.comp id: GLU
chem shift completeness char.comp index id: 52
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,135
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 135
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: 0.200
chem shift completeness char.chem shift coverage: 0.529
chem shift completeness char.comp id: LYS
chem shift completeness char.comp index id: 53
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 0.000
chem shift completeness char.sc chem shift coverage: 0.333
chem shift completeness char.sf id: 49610301

1,4961,136
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
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: VAL
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.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: 49610301

1,4961,137
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 137
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.000
chem shift completeness char.arom chem shift coverage: 0.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.375
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 0.444
chem shift completeness char.chem shift coverage: 0.444
chem shift completeness char.comp id: PHE
chem shift completeness char.comp index id: 55
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.167
chem shift completeness char.sc chem shift 1h coverage: 0.286
chem shift completeness char.sc chem shift coverage: 0.231
chem shift completeness char.sf id: 49610301

1,4961,138
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 138
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: ALA
chem shift completeness char.comp index id: 56
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 1.000
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 1.000
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 49610301

1,4961,139
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 139
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.500
chem shift completeness char.chem shift 1h coverage: 0.500
chem shift completeness char.chem shift coverage: 0.643
chem shift completeness char.comp id: GLN
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: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.333
chem shift completeness char.sc chem shift coverage: 0.444
chem shift completeness char.sf id: 49610301

1,4961,140
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 140
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: 49610301

1,4961,141
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 141
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: 59
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: 49610301

1,4961,142
type: chem shift completeness char
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 4961
chem shift completeness char.id: 142
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 15n coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 0.833
chem shift completeness char.chem shift 15n coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 0.929
chem shift completeness char.comp id: LEU
chem shift completeness char.comp index id: 60
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.methyl chem shift 13c coverage: 0.500
chem shift completeness char.methyl chem shift 1h coverage: 1.000
chem shift completeness char.methyl chem shift coverage: 0.750
chem shift completeness char.sc chem shift 13c coverage: 0.750
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 0.889
chem shift completeness char.sf id: 49610301

1,4961
type: chem shift completeness list
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 4961
chem shift completeness list.arom chem shift 13c fraction: 0/37
chem shift completeness list.arom chem shift 1h fraction: 0/37
chem shift completeness list.arom chem shift fraction: 0/74
chem shift completeness list.assigned residue coverage: 0.895
chem shift completeness list.bb chem shift 13c fraction: 364/417
chem shift completeness list.bb chem shift 15n fraction: 125/141
chem shift completeness list.bb chem shift 1h fraction: 241/283
chem shift completeness list.bb chem shift fraction: 730/841
chem shift completeness list.chem shift 13c fraction: 480/604
chem shift completeness list.chem shift 15n fraction: 125/168
chem shift completeness list.chem shift 1h fraction: 509/814
chem shift completeness list.chem shift fraction: 1114/1586
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr4961_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polypeptide(L)
chem shift completeness list.methyl chem shift 13c fraction: 65/84
chem shift completeness list.methyl chem shift 1h fraction: 78/84
chem shift completeness list.methyl chem shift fraction: 143/168
chem shift completeness list.output file name: bmr4961_chem_shift_completeness.str
chem shift completeness list.queried date: 2016-07-27Z
chem shift completeness list.sc chem shift 13c fraction: 231/320
chem shift completeness list.sc chem shift 15n fraction: 0/27
chem shift completeness list.sc chem shift 1h fraction: 268/531
chem shift completeness list.sc chem shift fraction: 499/878
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: 49610301

1,4961,0
type: chem shift experiment
of datablock: info:bmrb/4961
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 4961
chem shift experiment.experiment id: 0
chem shift experiment.experiment name: na
chem shift experiment.sample id: 1
chem shift experiment.sample label: sample_1
chem shift experiment.sample state: isotropic

13,C,1,4961,DSS
type: chem shift ref
of datablock: info:bmrb/4961
chem shift ref.atom isotope number: 13
chem shift ref.atom type: C
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 4961
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.0
chem shift ref.correction val cit id: 1
chem shift ref.correction val cit label: entry_citation
chem shift ref.indirect shift ratio: 0.2514495
chem shift ref.indirect shift ratio cit id: 1
chem shift ref.indirect shift ratio cit label: entry_citation
chem shift ref.ref type: indirect

1,H,1,4961,DSS
type: chem shift ref
of datablock: info:bmrb/4961
chem shift ref.atom isotope number: 1
chem shift ref.atom type: H
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 4961
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.0
chem shift ref.correction val cit id: 1
chem shift ref.correction val cit label: entry_citation
chem shift ref.indirect shift ratio: 1.0
chem shift ref.indirect shift ratio cit id: 1
chem shift ref.indirect shift ratio cit label: entry_citation
chem shift ref.ref method: internal
chem shift ref.ref type: direct

15,N,1,4961,DSS
type: chem shift ref
of datablock: info:bmrb/4961
chem shift ref.atom isotope number: 15
chem shift ref.atom type: N
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 4961
chem shift ref.mol common name: DSS
chem shift ref.atom group: methyl protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.0
chem shift ref.correction val cit id: 1
chem shift ref.correction val cit label: entry_citation
chem shift ref.indirect shift ratio: 0.1013291
chem shift ref.indirect shift ratio cit id: 1
chem shift ref.indirect shift ratio cit label: entry_citation
chem shift ref.ref type: indirect

4961,1
type: chem shift reference
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
chem shift reference.entry id: 4961
chem shift reference.id: 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chemical_shift_reference

4961,1
type: citation
of datablock: info:bmrb/4961
reference to entry: https://bmrbpub.pdbj.org/rdf/bmr4961/entry/4961
citation.entry id: 4961
citation.id: 1
citation.class: entry citation
citation.journal abbrev: J. Biomol. NMR
citation.journal issue: 1
citation.journal volume: 21
citation.page first: 69
citation.page last: 70
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: Letter to the Editor: 1H, 15N and 13C assignments of the N-terminal domain of Yersinia outer protein H in its apo form and in complex with a phosphotyrosine peptide
citation.type: journal
citation.year: 2001

1,4961,1
type: citation author
of datablock: info:bmrb/4961
citation author.citation id: 1
citation author.entry id: 4961
citation author.ordinal: 1
citation author.family name: Khandelwal
citation author.given name: Purnima
citation author.pdbx name: Khandelwal, P.

1,4961,2
type: citation author
of datablock: info:bmrb/4961
citation author.citation id: 1
citation author.entry id: 4961
citation author.ordinal: 2
citation author.family name: Keliikuli
citation author.given name: Kai
citation author.pdbx name: Keliikuli, K.

1,4961,3
type: citation author
of datablock: info:bmrb/4961
citation author.citation id: 1
citation author.entry id: 4961
citation author.ordinal: 3
citation author.family name: Smith
citation author.given name: Craig
citation author.middle initials: L.
citation author.pdbx name: Smith, C.L.

1,4961,4
type: citation author
of datablock: info:bmrb/4961
citation author.citation id: 1
citation author.entry id: 4961
citation author.ordinal: 4
citation author.family name: Saper
citation author.given name: Mark
citation author.middle initials: A.
citation author.pdbx name: Saper, M.A.

1,4961,5
type: citation author
of datablock: info:bmrb/4961
citation author.citation id: 1
citation author.entry id: 4961
citation author.ordinal: 5
citation author.family name: Zuiderweg
citation author.given name: Erik
citation author.middle initials: R.P.
citation author.pdbx name: Zuiderweg, E.R.P.

1,4961,chemical shift index
type: citation keyword
of datablock: info:bmrb/4961
citation keyword.citation id: 1
citation keyword.entry id: 4961
citation keyword.keyword: chemical shift index

1,4961,heteronuclear NMR
type: citation keyword
of datablock: info:bmrb/4961
citation keyword.citation id: 1
citation keyword.entry id: 4961
citation keyword.keyword: heteronuclear NMR

1,4961,p130Cas
type: citation keyword
of datablock: info:bmrb/4961
citation keyword.citation id: 1
citation keyword.entry id: 4961
citation keyword.keyword: p130Cas

1,4961,peptide complex
type: citation keyword
of datablock: info:bmrb/4961
citation keyword.citation id: 1
citation keyword.entry id: 4961
citation keyword.keyword: peptide complex

1,4961,sequential assignments
type: citation keyword
of datablock: info:bmrb/4961
citation keyword.citation id: 1
citation keyword.entry id: 4961
citation keyword.keyword: sequential assignments

1,4961,YopH
type: citation keyword
of datablock: info:bmrb/4961
citation keyword.citation id: 1
citation keyword.entry id: 4961
citation keyword.keyword: YopH

4961,assigned chemical shifts
type: data set
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data set.entry id: 4961
data set.type: assigned_chemical_shifts
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datum.type: 13C chemical shifts
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4961,15N chemical shifts
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4961,1H chemical shifts
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4961,1
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entity.entry id: 4961
entity.id: 1
entity.db query revised last date: 2014-05-11Z
entity.formula weight: 14859.41
entity.name: Yersinia outer protein H
entity.number of monomers: 136
entity.parent entity id: 1
entity.polymer seq one letter code: MNLSLSDLHRQVSRLVQQESGDCTGKLRGNVAANKETTFQGLTIASGARESEKVFAQTVLSHVANVVLTQEDTAKLLQSTVKHNLNNYDLRSVGNGNSVLVSLRSDQMTLQDAKVLLEAALRQESGARGSHHHHHH
entity.polymer seq one letter code can: MNLSLSDLHRQVSRLVQQESGDCTGKLRGNVAANKETTFQGLTIASGARESEKVFAQTVLSHVANVVLTQEDTAKLLQSTVKHNLNNYDLRSVGNGNSVLVSLRSDQMTLQDAKVLLEAALRQESGARGSHHHHHH
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: YopH
entity.thiol state: all free
entity.type: polymer

4961,2
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entity.entry id: 4961
entity.id: 2
entity.formula weight: 979.8333
entity.name: DEpYDDPF
entity.number of monomers: 7
entity.parent entity id: 2
entity.polymer seq one letter code: DEXDDPF
entity.polymer seq one letter code can: DE(PTR)DDPF
entity.polymer type: polypeptide(L)
entity.sf category: entity
entity.sf framecode: phosphotyrosine_peptide
entity.thiol state: not present
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1,4961,1
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entity assembly.entity assembly name: phosphotyrosine peptide
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entity assembly.entity label: phosphotyrosine_peptide
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1,4961,2
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1HUF,PDB,1,4961
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entity db link.author supplied: no
entity db link.entry mol name: Crystal Structure Of The N-Terminal Domain Of The Tyrosine Phosphatase Yoph From Yersinia Pestis
entity db link.seq homology expectation val: 1.12E-69
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info:pdb/1HUF

urn:miriam:pdb:1HUF

1K46,PDB,1,4961
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entity db link.entry mol name: Crystal Structure Of The Type Iii Secretory Domain Of Yersinia Yoph Reveals A Domain-Swapped Dimer
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info:pdb/1K46

urn:miriam:pdb:1K46

1M0V,PDB,1,4961
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entity db link.entry mol name: Nmr Structure Of The Type Iii Secretory Domain Of Yersinia Yoph Complexed With The Skap-Hom Phospho-Peptide N-Acetyl- Depyddpf-
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info:pdb/1M0V

urn:miriam:pdb:1M0V

1,4961,1
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entity experimental src.entity id: 1
entity experimental src.entity label: YopH
entity experimental src.host org genus: Not applicable
entity experimental src.host org name common: unidentified
entity experimental src.host org scientific name: unidentified
entity experimental src.host org species: unidentified
entity experimental src.production method: recombinant technology

4961,1
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entity natural src.genus: Yersinia
entity natural src.kingdom: Not applicable
entity natural src.ncbi taxonomy id: 632
entity natural src.organism name common: Yersinia pestis
entity natural src.organism name scientific: Yersinia pestis
entity natural src.species: pestis
entity natural src.superkingdom: Bacteria
entity natural src.type: organism

info:taxonomy/632

urn:miriam:taxonomy:632

4961,1
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entity poly seq.mon id: ALA

1,4961,46
type: entity poly seq
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entity poly seq.comp index id: 46
entity poly seq.mon id: SER

1,4961,47
type: entity poly seq
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entity poly seq.comp index id: 47
entity poly seq.mon id: GLY

1,4961,48
type: entity poly seq
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entity poly seq.comp index id: 48
entity poly seq.mon id: ALA

1,4961,49
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entity poly seq.comp index id: 49
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1,4961,50
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entity poly seq.mon id: GLU

1,4961,51
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entity poly seq.comp index id: 51
entity poly seq.mon id: SER

1,4961,52
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entity poly seq.mon id: GLU

1,4961,53
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entity poly seq.comp index id: 53
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1,4961,54
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1,4961,55
type: entity poly seq
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1,4961,56
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1,4961,57
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entity poly seq.comp index id: 66
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entity poly seq.mon id: LEU

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entity poly seq.comp index id: 70
entity poly seq.mon id: GLN

1,4961,71
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entity poly seq.comp index id: 72
entity poly seq.mon id: ASP

1,4961,73
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entity poly seq.comp index id: 73
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entity poly seq.comp index id: 74
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1,4961,75
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entity poly seq.comp index id: 75
entity poly seq.mon id: LYS

1,4961,76
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entity poly seq.mon id: LEU

1,4961,77
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entity poly seq.comp index id: 77
entity poly seq.mon id: LEU

1,4961,78
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1,4961,79
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entity poly seq.comp index id: 79
entity poly seq.mon id: SER

1,4961,80
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entity poly seq.comp index id: 80
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1,4961,81
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1,4961,82
type: entity poly seq
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entity poly seq.mon id: LYS

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1,4961,84
type: entity poly seq
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1,4961,85
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1,4961,86
type: entity poly seq
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1,4961,87
type: entity poly seq
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1,4961,88
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1,4961,89
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1,4961,90
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1,4961,91
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1,4961,92
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1,4961,93
type: entity poly seq
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1,4961,94
type: entity poly seq
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1,4961,95
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1,4961,96
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1,4961,97
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1,4961,98
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1,4961,99
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1,4961,100
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1,4961,101
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1,4961,102
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entity poly seq.comp index id: 102
entity poly seq.mon id: SER

1,4961,103
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1,4961,104
type: entity poly seq
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1,4961,105
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1,4961,106
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1,4961,107
type: entity poly seq
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1,4961,108
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1,4961,109
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1,4961,110
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1,4961,111
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1,4961,112
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1,4961,113
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entity poly seq.comp index id: 113
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1,4961,114
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1,4961,115
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1,4961,116
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1,4961,117
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1,4961,118
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1,4961,119
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1,4961,120
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1,4961,121
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1,4961,122
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1,4961,123
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1,4961,124
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1,4961,125
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1,4961,126
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1,4961,127
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1,4961,128
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1,4961,129
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1,4961,130
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1,4961,131
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1,4961,132
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1,4961,133
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1,4961,134
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1,4961,135
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1,4961,136
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2,4961,1
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2,4961,2
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2,4961,3
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2,4961,4
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2,4961,5
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2,4961,6
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2,4961,7
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4961,1
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entry author.entry id: 4961
entry author.ordinal: 1
entry author.family name: Khandelwal
entry author.given name: Purnima
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4961,2
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entry author.entry id: 4961
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entry author.family name: Keliikuli
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4961,3
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4961,33,1
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4961,39,1
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4961,40,1
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4961,41,1
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4961,42,1
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4961,43,1
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4961,44,1
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4961,50,1
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4961,51,1
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4961,52,1
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4961,53,1
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4961,55,1
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4961,56,1
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4961,57,1
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4961,58,1
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4961,59,1
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4961,2
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release.author: author
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4961,1
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