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type: datablock
references: doi:10.13018/BMR17106
alternative label: bmr17106
title: solution structure of a preQ1 riboswitch (Class I) aptamer bound to preQ1
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atom chem shift.entry id: 17106
atom chem shift.id: 604
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C5'
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C5'
atom chem shift.auth comp id: A
atom chem shift.auth seq id: 36
atom chem shift.comp id: A
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 65.78

1,17106,605
type: atom chem shift
of datablock: info:bmrb/17106
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 17106
atom chem shift.id: 605
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: C8
atom chem shift.atom isotope number: 13
atom chem shift.atom type: C
atom chem shift.auth atom id: C8
atom chem shift.auth comp id: A
atom chem shift.auth seq id: 36
atom chem shift.comp id: A
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 138.3

1,17106,606
type: atom chem shift
of datablock: info:bmrb/17106
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 17106
atom chem shift.id: 606
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N1
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N1
atom chem shift.auth comp id: A
atom chem shift.auth seq id: 36
atom chem shift.comp id: A
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 226.3

1,17106,607
type: atom chem shift
of datablock: info:bmrb/17106
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 17106
atom chem shift.id: 607
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: N3
atom chem shift.atom isotope number: 15
atom chem shift.atom type: N
atom chem shift.auth atom id: N3
atom chem shift.auth comp id: A
atom chem shift.auth seq id: 36
atom chem shift.comp id: A
atom chem shift.comp index id: 36
atom chem shift.entity assembly id: 1
atom chem shift.entity id: 1
atom chem shift.seq id: 36
atom chem shift.val: 215.5

1,17106,608
type: atom chem shift
of datablock: info:bmrb/17106
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 17106
atom chem shift.id: 608
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H1
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H1
atom chem shift.auth comp id: Q1
atom chem shift.auth seq id: 37
atom chem shift.comp id: PRF
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 13.02

1,17106,609
type: atom chem shift
of datablock: info:bmrb/17106
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 17106
atom chem shift.id: 609
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H8
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H8
atom chem shift.auth comp id: Q1
atom chem shift.auth seq id: 37
atom chem shift.comp id: PRF
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 5.84

1,17106,610
type: atom chem shift
of datablock: info:bmrb/17106
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 17106
atom chem shift.id: 610
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H9
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H9
atom chem shift.auth comp id: Q1
atom chem shift.auth seq id: 37
atom chem shift.comp id: PRF
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 11.03

1,17106,611
type: atom chem shift
of datablock: info:bmrb/17106
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 17106
atom chem shift.id: 611
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H21
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H21
atom chem shift.auth comp id: Q1
atom chem shift.auth seq id: 37
atom chem shift.comp id: PRF
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 8.25

1,17106,612
type: atom chem shift
of datablock: info:bmrb/17106
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 17106
atom chem shift.id: 612
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H22
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H22
atom chem shift.auth comp id: Q1
atom chem shift.auth seq id: 37
atom chem shift.comp id: PRF
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 7.85

1,17106,613
type: atom chem shift
of datablock: info:bmrb/17106
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 17106
atom chem shift.id: 613
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H101
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H101
atom chem shift.auth comp id: Q1
atom chem shift.auth seq id: 37
atom chem shift.comp id: PRF
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.34

1,17106,614
type: atom chem shift
of datablock: info:bmrb/17106
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 17106
atom chem shift.id: 614
atom chem shift.ambiguity code: 1
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H102
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H102
atom chem shift.auth comp id: Q1
atom chem shift.auth seq id: 37
atom chem shift.comp id: PRF
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 3.45

1,17106,615
type: atom chem shift
of datablock: info:bmrb/17106
atom chem shift.assigned chem shift list id: 1
atom chem shift.entry id: 17106
atom chem shift.id: 615
atom chem shift.ambiguity code: 2
atom chem shift.assembly atom id: 0
atom chem shift.atom id: H111
atom chem shift.atom isotope number: 1
atom chem shift.atom type: H
atom chem shift.auth atom id: H111
atom chem shift.auth comp id: Q1
atom chem shift.auth seq id: 37
atom chem shift.comp id: PRF
atom chem shift.comp index id: 1
atom chem shift.entity assembly id: 2
atom chem shift.entity id: 2
atom chem shift.seq id: 1
atom chem shift.val: 7.7

17106,PRF
type: chem comp
of datablock: info:bmrb/17106
reference to entry: entry
chem comp.entry id: 17106
chem comp.id: PRF
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 Tue Jun 9 15:51:40 2009
chem comp.formal charge: 0
chem comp.formula: C7 H9 N5 O
chem comp.formula weight: 179.179
chem comp.ideal coordinates missing flag: no
chem comp.model coordinates db code: 1EFZ
chem comp.model coordinates missing flag: no
chem comp.name: 7-DEAZA-7-AMINOMETHYL-GUANINE
chem comp.paramagnetic: no
chem comp.pdb code: PRF
chem comp.processing site: RCSB
chem comp.provenance: na
chem comp.sf category: chem_comp
chem comp.sf framecode: chem_comp_PRF
chem comp.three letter code: PRF
chem comp.type: NON-POLYMER

info:pdb-ccd/PRF

pdb-ccd:PRF

info:pdb.ligand/PRF

pdb.ligand:PRF

C10,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: C10
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.202
chem comp atom.model cartn x ideal: 0.881
chem comp atom.model cartn y: 17.662
chem comp atom.model cartn y ideal: -0.016
chem comp atom.model cartn z: 19.513
chem comp atom.model cartn z ideal: 2.753
chem comp atom.pdb atom id: C10
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C2,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: C2
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.705
chem comp atom.model cartn x ideal: -0.113
chem comp atom.model cartn y: 16.973
chem comp atom.model cartn y ideal: 0.005
chem comp atom.model cartn z: 23.651
chem comp atom.model cartn z ideal: -2.482
chem comp atom.pdb atom id: C2
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C4,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: C4
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.068
chem comp atom.model cartn x ideal: -1.143
chem comp atom.model cartn y: 16.940
chem comp atom.model cartn y ideal: -0.005
chem comp atom.model cartn z: 21.273
chem comp atom.model cartn z ideal: -0.411
chem comp atom.pdb atom id: C4
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C5,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: C5
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.352
chem comp atom.model cartn x ideal: 0.110
chem comp atom.model cartn y: 17.283
chem comp atom.model cartn y ideal: -0.001
chem comp atom.model cartn z: 21.400
chem comp atom.model cartn z ideal: 0.214
chem comp atom.pdb atom id: C5
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C6,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: C6
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.897
chem comp atom.model cartn x ideal: 1.276
chem comp atom.model cartn y: 17.489
chem comp atom.model cartn y ideal: -0.002
chem comp atom.model cartn z: 22.765
chem comp atom.model cartn z ideal: -0.582
chem comp atom.pdb atom id: C6
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C7,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: C7
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.829
chem comp atom.model cartn x ideal: -0.149
chem comp atom.model cartn y: 17.333
chem comp atom.model cartn y ideal: -0.012
chem comp atom.model cartn z: 20.009
chem comp atom.model cartn z ideal: 1.653
chem comp atom.pdb atom id: C7
chem comp atom.stereo config: N
chem comp atom.type symbol: C

C8,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: C8
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.788
chem comp atom.model cartn x ideal: -1.483
chem comp atom.model cartn y: 17.024
chem comp atom.model cartn y ideal: -0.014
chem comp atom.model cartn z: 19.253
chem comp atom.model cartn z ideal: 1.805
chem comp atom.pdb atom id: C8
chem comp atom.stereo config: N
chem comp atom.type symbol: C

H101,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: H101
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.511
chem comp atom.model cartn x ideal: 1.503
chem comp atom.model cartn y: 18.632
chem comp atom.model cartn y ideal: 0.874
chem comp atom.model cartn z: 19.967
chem comp atom.model cartn z ideal: 2.670
chem comp atom.pdb atom id: H101
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H102,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: H102
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.919
chem comp atom.model cartn x ideal: 1.505
chem comp atom.model cartn y: 16.950
chem comp atom.model cartn y ideal: -0.905
chem comp atom.model cartn z: 19.983
chem comp atom.model cartn z ideal: 2.664
chem comp atom.pdb atom id: H102
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H111,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: H111
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 20.432
chem comp atom.model cartn x ideal: 0.929
chem comp atom.model cartn y: 17.944
chem comp atom.model cartn y ideal: -0.023
chem comp atom.model cartn z: 17.718
chem comp atom.model cartn z ideal: 4.760
chem comp atom.pdb atom id: H111
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H112,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: H112
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 18.840
chem comp atom.model cartn x ideal: -0.275
chem comp atom.model cartn y: 18.371
chem comp atom.model cartn y ideal: 0.862
chem comp atom.model cartn z: 17.626
chem comp atom.model cartn z ideal: 4.139
chem comp atom.pdb atom id: H112
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H81,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: H81
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 16.771
chem comp atom.model cartn x ideal: -2.002
chem comp atom.model cartn y: 16.963
chem comp atom.model cartn y ideal: -0.018
chem comp atom.model cartn z: 18.151
chem comp atom.model cartn z ideal: 2.752
chem comp atom.pdb atom id: H81
chem comp atom.stereo config: N
chem comp atom.type symbol: H

H91,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: H91
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.400
chem comp atom.model cartn x ideal: 1.915
chem comp atom.model cartn y: 17.461
chem comp atom.model cartn y ideal: 0.007
chem comp atom.model cartn z: 24.768
chem comp atom.model cartn z ideal: -2.497
chem comp atom.pdb atom id: H91
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN21,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: HN21
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 13.993
chem comp atom.model cartn x ideal: -1.108
chem comp atom.model cartn y: 16.589
chem comp atom.model cartn y ideal: 0.012
chem comp atom.model cartn z: 24.578
chem comp atom.model cartn z ideal: -4.261
chem comp atom.pdb atom id: HN21
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN22,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: HN22
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.024
chem comp atom.model cartn x ideal: 0.565
chem comp atom.model cartn y: 17.703
chem comp atom.model cartn y ideal: 0.014
chem comp atom.model cartn z: 25.256
chem comp atom.model cartn z ideal: -4.404
chem comp atom.pdb atom id: HN22
chem comp atom.stereo config: N
chem comp atom.type symbol: H

HN91,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: HN91
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.846
chem comp atom.model cartn x ideal: -3.046
chem comp atom.model cartn y: 16.539
chem comp atom.model cartn y ideal: -0.009
chem comp atom.model cartn z: 19.667
chem comp atom.model cartn z ideal: 0.423
chem comp atom.pdb atom id: HN91
chem comp atom.stereo config: N
chem comp atom.type symbol: H

N1,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: N1
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 17.038
chem comp atom.model cartn x ideal: 1.131
chem comp atom.model cartn y: 17.322
chem comp atom.model cartn y ideal: 0.003
chem comp atom.model cartn z: 23.825
chem comp atom.model cartn z ideal: -1.926
chem comp atom.pdb atom id: N1
chem comp atom.stereo config: N
chem comp atom.type symbol: N

N11,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: N11
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.497
chem comp atom.model cartn x ideal: 0.204
chem comp atom.model cartn y: 17.720
chem comp atom.model cartn y ideal: -0.021
chem comp atom.model cartn z: 18.057
chem comp atom.model cartn z ideal: 4.057
chem comp atom.pdb atom id: N11
chem comp atom.stereo config: N
chem comp atom.type symbol: N

N2,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: N2
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 14.972
chem comp atom.model cartn x ideal: -0.230
chem comp atom.model cartn y: 16.846
chem comp atom.model cartn y ideal: 0.011
chem comp atom.model cartn z: 24.706
chem comp atom.model cartn z ideal: -3.849
chem comp atom.pdb atom id: N2
chem comp atom.stereo config: N
chem comp atom.type symbol: N

N3,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: N3
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.222
chem comp atom.model cartn x ideal: -1.204
chem comp atom.model cartn y: 16.783
chem comp atom.model cartn y ideal: 0.000
chem comp atom.model cartn z: 22.459
chem comp atom.model cartn z ideal: -1.751
chem comp atom.pdb atom id: N3
chem comp atom.stereo config: N
chem comp atom.type symbol: N

N9,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: N9
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 15.770
chem comp atom.model cartn x ideal: -2.087
chem comp atom.model cartn y: 16.798
chem comp atom.model cartn y ideal: -0.009
chem comp atom.model cartn z: 20.015
chem comp atom.model cartn z ideal: 0.572
chem comp atom.pdb atom id: N9
chem comp atom.stereo config: N
chem comp atom.type symbol: N

O6,PRF,17106
type: chem comp atom
of datablock: info:bmrb/17106
reference to entry: entry
chem comp atom.atom id: O6
chem comp atom.comp id: PRF
chem comp atom.entry id: 17106
chem comp atom.charge: 0
chem comp atom.model cartn x: 19.064
chem comp atom.model cartn x ideal: 2.383
chem comp atom.model cartn y: 17.796
chem comp atom.model cartn y ideal: -0.003
chem comp atom.model cartn z: 22.887
chem comp atom.model cartn z ideal: -0.071
chem comp atom.pdb atom id: O6
chem comp atom.stereo config: N
chem comp atom.type symbol: O

PRF,17106,1
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 1
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C2
chem comp bond.value order: SING

PRF,17106,2
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 2
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: C6
chem comp bond.value order: SING

PRF,17106,3
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 3
chem comp bond.atom id 1: N1
chem comp bond.atom id 2: H91
chem comp bond.value order: SING

PRF,17106,4
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 4
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: N3
chem comp bond.value order: DOUB

PRF,17106,5
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 5
chem comp bond.atom id 1: C2
chem comp bond.atom id 2: N2
chem comp bond.value order: SING

PRF,17106,6
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 6
chem comp bond.atom id 1: N3
chem comp bond.atom id 2: C4
chem comp bond.value order: SING

PRF,17106,7
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 7
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: C5
chem comp bond.value order: DOUB

PRF,17106,8
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 8
chem comp bond.atom id 1: C4
chem comp bond.atom id 2: N9
chem comp bond.value order: SING

PRF,17106,9
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 9
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C6
chem comp bond.value order: SING

PRF,17106,10
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 10
chem comp bond.atom id 1: C5
chem comp bond.atom id 2: C7
chem comp bond.value order: SING

PRF,17106,11
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 11
chem comp bond.atom id 1: C6
chem comp bond.atom id 2: O6
chem comp bond.value order: DOUB

PRF,17106,12
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 12
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C10
chem comp bond.value order: SING

PRF,17106,13
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 13
chem comp bond.atom id 1: C7
chem comp bond.atom id 2: C8
chem comp bond.value order: DOUB

PRF,17106,14
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 14
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: N11
chem comp bond.value order: SING

PRF,17106,15
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 15
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H101
chem comp bond.value order: SING

PRF,17106,16
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 16
chem comp bond.atom id 1: C10
chem comp bond.atom id 2: H102
chem comp bond.value order: SING

PRF,17106,17
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 17
chem comp bond.atom id 1: N11
chem comp bond.atom id 2: H111
chem comp bond.value order: SING

PRF,17106,18
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 18
chem comp bond.atom id 1: N11
chem comp bond.atom id 2: H112
chem comp bond.value order: SING

PRF,17106,19
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 19
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: N9
chem comp bond.value order: SING

PRF,17106,20
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 20
chem comp bond.atom id 1: C8
chem comp bond.atom id 2: H81
chem comp bond.value order: SING

PRF,17106,21
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 21
chem comp bond.atom id 1: N9
chem comp bond.atom id 2: HN91
chem comp bond.value order: SING

PRF,17106,22
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 22
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: HN21
chem comp bond.value order: SING

PRF,17106,23
type: chem comp bond
of datablock: info:bmrb/17106
chem comp bond.comp id: PRF
chem comp bond.entry id: 17106
chem comp bond.id: 23
chem comp bond.atom id 1: N2
chem comp bond.atom id 2: HN22
chem comp bond.value order: SING

http://bmrbpub.pdbj.org/rdf/bmr17106/chem_comp_descriptor/PRF,c1c(c2c(%5BnH%5D1)N%3DC(NC2%3DO)N)CN,17106,OECHEM,1.5.0,SMILES
type: chem comp descriptor
of datablock: info:bmrb/17106
chem comp descriptor.comp id: PRF
chem comp descriptor.descriptor: c1c(c2c([nH]1)N=C(NC2=O)N)CN
chem comp descriptor.entry id: 17106
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr17106/chem_comp_descriptor/PRF,c1c(c2c(%5BnH%5D1)N%3DC(NC2%3DO)N)CN,17106,OECHEM,1.5.0,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/17106
chem comp descriptor.comp id: PRF
chem comp descriptor.descriptor: c1c(c2c([nH]1)N=C(NC2=O)N)CN
chem comp descriptor.entry id: 17106
chem comp descriptor.program: OECHEM
chem comp descriptor.program version: 1.5.0
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr17106/chem_comp_descriptor/PRF,InChI%3D1%2FC7H9N5O%2Fc8-1-3-2-10-5-4(3)6(13)12-7(9)11-5%2Fh2H,1,8H2,17106,na,1.02b,INCHI
type: chem comp descriptor
of datablock: info:bmrb/17106
chem comp descriptor.comp id: PRF
chem comp descriptor.descriptor: InChI=1/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)/f/h10,12H,9H2
chem comp descriptor.entry id: 17106
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02b
chem comp descriptor.type: INCHI

PRF,MEYMBLGOKYDGLZ-NKUVXRGSCK,17106,na,1.02b,INCHI
type: chem comp descriptor
of datablock: info:bmrb/17106
chem comp descriptor.comp id: PRF
chem comp descriptor.descriptor: MEYMBLGOKYDGLZ-NKUVXRGSCK
chem comp descriptor.entry id: 17106
chem comp descriptor.program: na
chem comp descriptor.program version: 1.02b
chem comp descriptor.type: INCHI

http://bmrbpub.pdbj.org/rdf/bmr17106/chem_comp_descriptor/PRF,NCc1c%5BnH%5Dc2N%3DC(N)NC(%3DO)c12,17106,CACTVS,3.341,SMILES
type: chem comp descriptor
of datablock: info:bmrb/17106
chem comp descriptor.comp id: PRF
chem comp descriptor.descriptor: NCc1c[nH]c2N=C(N)NC(=O)c12
chem comp descriptor.entry id: 17106
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES

http://bmrbpub.pdbj.org/rdf/bmr17106/chem_comp_descriptor/PRF,NCc1c%5BnH%5Dc2N%3DC(N)NC(%3DO)c12,17106,CACTVS,3.341,SMILES_CANONICAL
type: chem comp descriptor
of datablock: info:bmrb/17106
chem comp descriptor.comp id: PRF
chem comp descriptor.descriptor: NCc1c[nH]c2N=C(N)NC(=O)c12
chem comp descriptor.entry id: 17106
chem comp descriptor.program: CACTVS
chem comp descriptor.program version: 3.341
chem comp descriptor.type: SMILES_CANONICAL

http://bmrbpub.pdbj.org/rdf/bmr17106/chem_comp_descriptor/PRF,O%3DC1c2c(cnc2N%3DC(N1)N)CN,17106,ACD,10.04,SMILES
type: chem comp descriptor
of datablock: info:bmrb/17106
chem comp descriptor.comp id: PRF
chem comp descriptor.descriptor: O=C1c2c(cnc2N=C(N1)N)CN
chem comp descriptor.entry id: 17106
chem comp descriptor.program: ACD
chem comp descriptor.program version: 10.04
chem comp descriptor.type: SMILES

PRF,17106,2-amino-5-(aminomethyl)-3,7-dihydro-4H-pyrrolo[2,ACD,10.04,systematic name
type: chem comp identifier
of datablock: info:bmrb/17106
chem comp identifier.comp id: PRF
chem comp identifier.entry id: 17106
chem comp identifier.identifier: 2-amino-5-(aminomethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
chem comp identifier.program: ACD
chem comp identifier.program version: 10.04
chem comp identifier.type: systematic name

PRF,17106,2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[3,OECHEM,1.5.0,systematic name
type: chem comp identifier
of datablock: info:bmrb/17106
chem comp identifier.comp id: PRF
chem comp identifier.entry id: 17106
chem comp identifier.identifier: 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[3,2-e]pyrimidin-4-one
chem comp identifier.program: OECHEM
chem comp identifier.program version: 1.5.0
chem comp identifier.type: systematic name

1,17106,1
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 1
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.833
chem shift completeness char.bb chem shift coverage: 0.909
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: 0.875
chem shift completeness char.chem shift coverage: 0.933
chem shift completeness char.comp id: G
chem shift completeness char.comp index id: 1
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,2
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 2
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 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: G
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: 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: 171060301

1,17106,3
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 3
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 3
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,4
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 4
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 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: G
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,5
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 5
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 5
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 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: 171060301

1,17106,6
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 6
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 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: G
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,7
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 7
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 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: G
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,8
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 8
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 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: U
chem shift completeness char.comp index id: 8
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 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: 171060301

1,17106,9
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 9
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.667
chem shift completeness char.arom chem shift coverage: 0.667
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.889
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: U
chem shift completeness char.comp index id: 9
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 171060301

1,17106,10
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 10
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 0.000
chem shift completeness char.bb chem shift 1h coverage: 0.667
chem shift completeness char.bb chem shift coverage: 0.364
chem shift completeness char.chem shift 13c coverage: 0.286
chem shift completeness char.chem shift 1h coverage: 0.600
chem shift completeness char.chem shift coverage: 0.471
chem shift completeness char.comp id: C
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 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 171060301

1,17106,11
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 11
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.667
chem shift completeness char.arom chem shift coverage: 0.667
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.889
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: U
chem shift completeness char.comp index id: 11
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 171060301

1,17106,12
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 12
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 12
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,13
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 13
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 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: G
chem shift completeness char.comp index id: 13
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,14
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 14
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.667
chem shift completeness char.arom chem shift coverage: 0.667
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.889
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: U
chem shift completeness char.comp index id: 14
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 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: 171060301

1,17106,15
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 15
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.667
chem shift completeness char.arom chem shift coverage: 0.667
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.889
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: U
chem shift completeness char.comp index id: 15
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 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: 171060301

1,17106,16
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 16
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 16
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,17
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 17
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.667
chem shift completeness char.arom chem shift coverage: 0.667
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.889
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: U
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: 0.667
chem shift completeness char.sc chem shift coverage: 0.667
chem shift completeness char.sf id: 171060301

1,17106,18
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 18
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 18
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,19
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 19
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: C
chem shift completeness char.comp index id: 19
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,20
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 20
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: C
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: 171060301

1,17106,21
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 21
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: C
chem shift completeness char.comp index id: 21
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,22
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 22
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 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: U
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 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,23
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 23
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: C
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: 171060301

1,17106,24
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 24
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 0.800
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 0.909
chem shift completeness char.chem shift 13c coverage: 0.857
chem shift completeness 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: U
chem shift completeness char.comp index id: 24
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 15n coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,25
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 25
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 25
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,26
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 26
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.667
chem shift completeness char.arom chem shift coverage: 0.667
chem shift completeness char.bb chem shift 13c coverage: 0.600
chem shift completeness char.bb chem shift 1h coverage: 0.833
chem shift completeness char.bb chem shift coverage: 0.727
chem shift completeness char.chem shift 13c coverage: 0.714
chem shift completeness char.chem shift 15n coverage: 0.000
chem shift completeness char.chem shift 1h coverage: 0.778
chem shift completeness char.chem shift coverage: 0.706
chem shift completeness char.comp id: U
chem shift completeness char.comp index id: 26
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 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: 171060301

1,17106,27
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 27
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 27
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,28
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 28
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 28
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,29
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 29
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 29
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,30
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 30
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 30
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,31
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 31
chem shift completeness char.arom chem shift 13c coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 0.500
chem shift completeness char.arom chem shift coverage: 0.250
chem shift completeness char.bb chem shift 13c coverage: 0.600
chem shift completeness char.bb chem shift 1h coverage: 0.667
chem shift completeness char.bb chem shift coverage: 0.636
chem shift completeness char.chem shift 13c coverage: 0.429
chem shift completeness char.chem shift 1h coverage: 0.625
chem shift completeness char.chem shift coverage: 0.533
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 31
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.000
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.250
chem shift completeness char.sf id: 171060301

1,17106,32
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 32
chem shift completeness char.arom chem shift 13c coverage: 0.500
chem shift completeness char.arom chem shift 1h coverage: 0.500
chem shift completeness char.arom chem shift coverage: 0.500
chem shift completeness char.bb chem shift 13c coverage: 0.200
chem shift completeness char.bb chem shift 1h coverage: 0.333
chem shift completeness char.bb chem shift coverage: 0.273
chem shift completeness char.chem shift 13c coverage: 0.286
chem shift completeness char.chem shift 1h coverage: 0.375
chem shift completeness char.chem shift coverage: 0.333
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 32
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 0.500
chem shift completeness char.sc chem shift 1h coverage: 0.500
chem shift completeness char.sc chem shift coverage: 0.500
chem shift completeness char.sf id: 171060301

1,17106,33
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 33
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: C
chem shift completeness char.comp index id: 33
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,34
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 34
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 15n coverage: 0.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 0.833
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 0.833
chem shift completeness char.bb chem shift coverage: 0.909
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: 0.889
chem shift completeness char.chem shift coverage: 0.882
chem shift completeness char.comp id: U
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: 1.000
chem shift completeness char.sc chem shift coverage: 0.833
chem shift completeness char.sf id: 171060301

1,17106,35
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 35
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 35
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106,36
type: chem shift completeness char
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness char.assigned chem shift list id: 1
chem shift completeness char.entry id: 17106
chem shift completeness char.id: 36
chem shift completeness char.arom chem shift 13c coverage: 1.000
chem shift completeness char.arom chem shift 1h coverage: 1.000
chem shift completeness char.arom chem shift coverage: 1.000
chem shift completeness char.bb chem shift 13c coverage: 1.000
chem shift completeness char.bb chem shift 1h coverage: 1.000
chem shift completeness char.bb chem shift coverage: 1.000
chem shift completeness char.chem shift 13c coverage: 1.000
chem shift completeness char.chem shift 1h coverage: 1.000
chem shift completeness char.chem shift coverage: 1.000
chem shift completeness char.comp id: A
chem shift completeness char.comp index id: 36
chem shift completeness char.entity assembly id: 1
chem shift completeness char.entity id: 1
chem shift completeness char.sc chem shift 13c coverage: 1.000
chem shift completeness char.sc chem shift 1h coverage: 1.000
chem shift completeness char.sc chem shift coverage: 1.000
chem shift completeness char.sf id: 171060301

1,17106
type: chem shift completeness list
of datablock: info:bmrb/17106
reference to entry: entry
chem shift completeness list.assigned chem shift list id: 1
chem shift completeness list.entry id: 17106
chem shift completeness list.arom chem shift 13c fraction: 63/66
chem shift completeness list.arom chem shift 15n fraction: 9/16
chem shift completeness list.arom chem shift 1h fraction: 74/82
chem shift completeness list.arom chem shift fraction: 146/164
chem shift completeness list.assigned residue coverage: 1.000
chem shift completeness list.bb chem shift 13c fraction: 166/180
chem shift completeness list.bb chem shift 1h fraction: 205/216
chem shift completeness list.bb chem shift fraction: 371/396
chem shift completeness list.chem shift 13c fraction: 229/246
chem shift completeness list.chem shift 15n fraction: 9/16
chem shift completeness list.chem shift 1h fraction: 289/310
chem shift completeness list.chem shift fraction: 527/572
chem shift completeness list.electronic address: https://bmrbpub.pdbj.org/archive/cs_complete/bmr17106_chem_shift_completeness.str
chem shift completeness list.entity polymer type: polyribonucleotide
chem shift completeness list.output file name: bmr17106_chem_shift_completeness.str
chem shift completeness list.queried date: 2020-07-22Z
chem shift completeness list.sc chem shift 13c fraction: 63/66
chem shift completeness list.sc chem shift 15n fraction: 9/16
chem shift completeness list.sc chem shift 1h fraction: 84/94
chem shift completeness list.sc chem shift fraction: 156/176
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: 171060301

1,17106,1
type: chem shift experiment
of datablock: info:bmrb/17106
chem shift experiment.assigned chem shift list id: 1
chem shift experiment.entry id: 17106
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1,17106,2
type: chem shift experiment
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1,17106,4
type: chem shift experiment
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chem shift experiment.experiment id: 4
chem shift experiment.experiment name: 3D HCCH-TOCSY
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chem shift experiment.sample state: isotropic

1,17106,8
type: chem shift experiment
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chem shift experiment.assigned chem shift list id: 1
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chem shift experiment.experiment id: 8
chem shift experiment.experiment name: 2D 1H-13C HSQC
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

1,17106,9
type: chem shift experiment
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chem shift experiment.assigned chem shift list id: 1
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chem shift experiment.experiment id: 9
chem shift experiment.experiment name: 2D 1H-15N HSQC
chem shift experiment.sample id: 0
chem shift experiment.sample state: isotropic

13,C,1,17106,water
type: chem shift ref
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chem shift ref.atom isotope number: 13
chem shift ref.atom type: C
chem shift ref.chem shift reference id: 1
chem shift ref.entry id: 17106
chem shift ref.mol common name: water
chem shift ref.atom group: protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 0.2514495
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref type: indirect

1,H,1,17106,water
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chem shift ref.atom type: H
chem shift ref.chem shift reference id: 1
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chem shift ref.mol common name: water
chem shift ref.atom group: protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 1.000000
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref method: internal
chem shift ref.ref type: direct

15,N,1,17106,water
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chem shift ref.entry id: 17106
chem shift ref.mol common name: water
chem shift ref.atom group: protons
chem shift ref.chem shift units: ppm
chem shift ref.chem shift val: 0.00
chem shift ref.correction val cit id: 0
chem shift ref.indirect shift ratio: 0.1013291
chem shift ref.indirect shift ratio cit id: 0
chem shift ref.ref type: indirect

17106,1
type: chem shift reference
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reference to entry: entry
chem shift reference.entry id: 17106
chem shift reference.id: 1
chem shift reference.sf category: chem_shift_reference
chem shift reference.sf framecode: chemical_shift_reference_1

1,17106,2
type: chem shift software
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chem shift software.assigned chem shift list id: 1
chem shift software.entry id: 17106
chem shift software.software id: 2
chem shift software.method id: 0
chem shift software.software label: SPARKY

17106,1
type: citation
of datablock: info:bmrb/17106
reference to entry: entry
citation.entry id: 17106
citation.id: 1
citation.class: entry citation
citation.doi: 10.1016/j.molcel.2009.02.019
citation.journal abbrev: Mol. Cell
citation.journal issn: 1097-2765
citation.journal issue: 6
citation.journal name full: Molecular cell
citation.journal volume: 33
citation.page first: 784
citation.page last: 790
citation.pubmed id: 19285444
citation.sf category: citations
citation.sf framecode: entry_citation
citation.status: published
citation.title: Structural Insights into riboswitch control of the biosynthesis of queuosine, a modified nucleotide found in the anticodon of tRNA.
citation.type: journal
citation.year: 2009

info:doi/10.1016/j.molcel.2009.02.019

doi:10.1016/j.molcel.2009.02.019

urn:ISSN:1097-2765

issn:1097-2765

info:pmid/19285444

pubmed:19285444

1,17106,1
type: citation author
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citation author.citation id: 1
citation author.entry id: 17106
citation author.ordinal: 1
citation author.family name: Kang
citation author.given name: Mijeong
citation author.pdbx name: Kang, M.

1,17106,2
type: citation author
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citation author.citation id: 1
citation author.entry id: 17106
citation author.ordinal: 2
citation author.family name: Zhang
citation author.given name: Qi
citation author.pdbx name: Zhang, Q.

1,17106,3
type: citation author
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citation author.citation id: 1
citation author.entry id: 17106
citation author.ordinal: 3
citation author.family name: Peterson
citation author.given name: Robert
citation author.middle initials: D.
citation author.pdbx name: Peterson, R.D.

1,17106,4
type: citation author
of datablock: info:bmrb/17106
citation author.citation id: 1
citation author.entry id: 17106
citation author.ordinal: 4
citation author.family name: Feigon
citation author.given name: Juli
citation author.pdbx name: Feigon, J.

17106,assigned chemical shifts
type: data set
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reference to entry: entry
data set.entry id: 17106
data set.type: assigned_chemical_shifts
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17106,13C chemical shifts
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datum.type: 13C chemical shifts
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17106,15N chemical shifts
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reference to entry: entry
datum.entry id: 17106
datum.type: 15N chemical shifts
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17106,1H chemical shifts
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reference to entry: entry
datum.entry id: 17106
datum.type: 1H chemical shifts
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17106,1
type: entity
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reference to entry: entry
entity.entry id: 17106
entity.id: 1
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 11590.88
entity.name: RNA (36-MER)
entity.nstd chirality: no
entity.nstd linkage: no
entity.nstd monomer: no
entity.number of monomers: 36
entity.paramagnetic: no
entity.parent entity id: 0
entity.polymer seq one letter code: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
entity.polymer seq one letter code can: GGAGAGGUUCUAGUUAUACCCUCUAUAAAAAACUAA
entity.polymer strand id: A
entity.polymer type: polyribonucleotide
entity.sf category: entity
entity.sf framecode: RNA_(36-MER)
entity.src method: syn
entity.thiol state: not present
entity.type: polymer

17106,2
type: entity
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reference to entry: entry
entity.entry id: 17106
entity.id: 2
entity.ambiguous chem comp sites: no
entity.ambiguous conformational states: no
entity.formula weight: 179.179
entity.name: PRF
entity.nonpolymer comp id: PRF
entity.nonpolymer comp label: chem_comp_PRF
entity.nstd chirality: no
entity.nstd linkage: no
entity.paramagnetic: no
entity.parent entity id: 2
entity.polymer seq one letter code can: (PRF)
entity.sf category: entity
entity.sf framecode: PRF
entity.thiol state: not present
entity.type: non-polymer

1,17106,1
type: entity assembly
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entity assembly.assembly id: 1
entity assembly.entry id: 17106
entity assembly.id: 1
entity assembly.asym id: A
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: RNA (36-MER)
entity assembly.entity id: 1
entity assembly.entity label: RNA_(36-MER)
entity assembly.experimental data reported: yes
entity assembly.physical state: native

1,17106,2
type: entity assembly
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entity assembly.assembly id: 1
entity assembly.entry id: 17106
entity assembly.id: 2
entity assembly.asym id: B
entity assembly.chemical exchange state: no
entity assembly.conformational isomer: no
entity assembly.entity assembly name: 7-DEAZA-7-AMINOMETHYL-GUANINE
entity assembly.entity id: 2
entity assembly.entity label: PRF
entity assembly.experimental data reported: yes
entity assembly.physical state: native

gene control at transcriptional level,1,17106
type: entity biological function
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entity biological function.biological function: gene control at transcriptional level
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entity biological function.entry id: 17106

1,17106,1
type: entity comp index
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entity comp index.id: 1
entity comp index.comp id: G

1,17106,2
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1,17106,3
type: entity comp index
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entity comp index.id: 3
entity comp index.comp id: A

1,17106,4
type: entity comp index
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entity comp index.id: 4
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1,17106,5
type: entity comp index
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entity comp index.id: 5
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1,17106,6
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entity comp index.id: 6
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1,17106,7
type: entity comp index
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entity comp index.id: 7
entity comp index.comp id: G

1,17106,8
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entity comp index.id: 8
entity comp index.comp id: U

1,17106,9
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1,17106,10
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entity comp index.id: 10
entity comp index.comp id: C

1,17106,11
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1,17106,12
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entity comp index.comp id: A

1,17106,13
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1,17106,14
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1,17106,15
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1,17106,16
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1,17106,17
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1,17106,18
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1,17106,19
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1,17106,20
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1,17106,21
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1,17106,22
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1,17106,23
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1,17106,24
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1,17106,25
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1,17106,26
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1,17106,27
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1,17106,28
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1,17106,29
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1,17106,30
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1,17106,31
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1,17106,32
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1,17106,33
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1,17106,34
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1,17106,35
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1,17106,36
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2,17106,37
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entity comp index.comp id: PRF

1,17106,1
type: entity experimental src
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entity experimental src.entity experimental src list id: 1
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entity experimental src.id: 1
entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 1
entity experimental src.entity label: RNA_(36-MER)
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: enzymatic semisynthesis

1,17106,2
type: entity experimental src
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entity experimental src.citation id: 0
entity experimental src.entity chimera segment id: 0
entity experimental src.entity id: 2
entity experimental src.entity label: PRF
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: chemical synthesis

17106,1
type: entity experimental src list
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entity experimental src list.entry id: 17106
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1,17106,1
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entity natural src.entity chimera segment id: 0
entity natural src.entity id: 1
entity natural src.entity label: RNA_(36-MER)
entity natural src.genus: Not applicable
entity natural src.kingdom: Not applicable
entity natural src.ncbi taxonomy id: na
entity natural src.organism name common: unidentified
entity natural src.organism name scientific: unidentified
entity natural src.species: unidentified
entity natural src.superkingdom: Unclassified
entity natural src.type: no natural source

17106,1
type: entity natural src list
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1,17106,1
type: entity poly seq
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1,17106,2
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1,17106,3
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1,17106,4
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1,17106,5
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1,17106,6
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1,17106,7
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1,17106,8
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1,17106,9
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1,17106,10
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1,17106,11
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1,17106,12
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1,17106,13
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1,17106,14
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1,17106,15
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1,17106,16
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1,17106,17
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1,17106,18
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1,17106,19
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1,17106,20
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1,17106,21
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1,17106,22
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1,17106,23
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1,17106,24
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1,17106,25
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http://bmrbpub.pdbj.org/rdf/bmr17106/entry/17106
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entry.accession date: 2010-08-05Z
entry.assigned pdb id: 2L1V
entry.experimental method: NMR
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entry.last release date: 2011-03-24Z
entry.nmr star version: 3.1.1.61
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entry.original release date: 2010-08-18Z
entry.origination: author
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entry.submission date: 2010-08-05Z
entry.title: solution structure of a preQ1 riboswitch (Class I) aptamer bound to preQ1
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info:pdb/2L1V

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2L1V,PDB,17106
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sample component.entry id: 17106
sample component.id: 23
sample component.sample id: 7
sample component.assembly id: 1
sample component.concentration val: 50
sample component.concentration val units: mM
sample component.entity id: 0
sample component.isotopic labeling: natural abundance
sample component.mol common name: KCl

17106,1
type: sample condition list
of datablock: info:bmrb/17106
reference to entry: entry
sample condition list.entry id: 17106
sample condition list.id: 1
sample condition list.sf category: sample_conditions
sample condition list.sf framecode: sample_conditions_1

17106,1,ionic strength
type: sample condition variable
of datablock: info:bmrb/17106
sample condition variable.entry id: 17106
sample condition variable.sample condition list id: 1
sample condition variable.type: ionic strength
sample condition variable.val: 50
sample condition variable.val units: mM

17106,1,pH
type: sample condition variable
of datablock: info:bmrb/17106
sample condition variable.entry id: 17106
sample condition variable.sample condition list id: 1
sample condition variable.type: pH
sample condition variable.val: 6.3
sample condition variable.val units: pH

17106,1,pressure
type: sample condition variable
of datablock: info:bmrb/17106
sample condition variable.entry id: 17106
sample condition variable.sample condition list id: 1
sample condition variable.type: pressure
sample condition variable.val: 1
sample condition variable.val units: atm

17106,1,temperature
type: sample condition variable
of datablock: info:bmrb/17106
sample condition variable.entry id: 17106
sample condition variable.sample condition list id: 1
sample condition variable.type: temperature
sample condition variable.val: 300
sample condition variable.val units: K

17106,1
type: sg project
of datablock: info:bmrb/17106
reference to entry: entry
sg project.entry id: 17106
sg project.sg project id: 1
sg project.full name of center: not applicable
sg project.project name: not applicable

17106,1
type: software
of datablock: info:bmrb/17106
reference to entry: entry
software.entry id: 17106
software.id: 1
software.name: xwinnmr
software.sf category: software
software.sf framecode: xwinnmr

17106,2
type: software
of datablock: info:bmrb/17106
reference to entry: entry
software.entry id: 17106
software.id: 2
software.name: SPARKY
software.sf category: software
software.sf framecode: SPARKY

17106,3
type: software
of datablock: info:bmrb/17106
reference to entry: entry
software.entry id: 17106
software.id: 3
software.name: X-PLOR NIH
software.sf category: software
software.sf framecode: X-PLOR_NIH

17106,aptamer
type: struct keywords
of datablock: info:bmrb/17106
reference to entry: entry
struct keywords.entry id: 17106
struct keywords.keywords: aptamer

17106,preQ1
type: struct keywords
of datablock: info:bmrb/17106
reference to entry: entry
struct keywords.entry id: 17106
struct keywords.keywords: preQ1

17106,pseudoknot
type: struct keywords
of datablock: info:bmrb/17106
reference to entry: entry
struct keywords.entry id: 17106
struct keywords.keywords: pseudoknot

17106,riboswitch
type: struct keywords
of datablock: info:bmrb/17106
reference to entry: entry
struct keywords.entry id: 17106
struct keywords.keywords: riboswitch

17106,RNA
type: struct keywords
of datablock: info:bmrb/17106
reference to entry: entry
struct keywords.entry id: 17106
struct keywords.keywords: RNA

17106,2,chemical shift assignment
type: task
of datablock: info:bmrb/17106
task.entry id: 17106
task.software id: 2
task.task: chemical shift assignment

17106,1,collection
type: task
of datablock: info:bmrb/17106
task.entry id: 17106
task.software id: 1
task.task: collection

17106,2,data analysis
type: task
of datablock: info:bmrb/17106
task.entry id: 17106
task.software id: 2
task.task: data analysis

17106,2,peak picking
type: task
of datablock: info:bmrb/17106
task.entry id: 17106
task.software id: 2
task.task: peak picking

17106,1,processing
type: task
of datablock: info:bmrb/17106
task.entry id: 17106
task.software id: 1
task.task: processing

17106,3,refinement
type: task
of datablock: info:bmrb/17106
task.entry id: 17106
task.software id: 3
task.task: refinement

17106,3,structure solution
type: task
of datablock: info:bmrb/17106
task.entry id: 17106
task.software id: 3
task.task: structure solution

17106,Bruker Biospin,1
type: vendor
of datablock: info:bmrb/17106
vendor.entry id: 17106
vendor.name: Bruker Biospin
vendor.software id: 1

17106,Schwieters, Kuszewski, Tjandra and Clore,3
type: vendor
of datablock: info:bmrb/17106
vendor.entry id: 17106
vendor.name: Schwieters, Kuszewski, Tjandra and Clore
vendor.software id: 3

17106,Goddard,2
type: vendor
of datablock: info:bmrb/17106
vendor.entry id: 17106
vendor.name: Goddard
vendor.software id: 2