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BMRB: 17523

2LNC

Backbone and side-chain 1H, 15N, and 13C resonance assignments of Norwalk virus protease

Authors

Takahashi, D., Kim, Y., Chang, K., Anbanandam, A., Prakash, O.

Assembly

Norwalk virus protease

Entity

1. Norwalk virus protease (polymer, Thiol state: all free), 188 monomers, 20098.89 Da Detail

MHHHHHHAPP TLWSRVTKFG SGWGFWVSPT VFITTTHVVP TGVKEFFGEP LSSIAIHQAG EFTQFRFSKK MRPDLTGMVL EEGCPEGTVC SVLIKRDSGE LLPLAVRMGA IASMRIQGRL VHGQSGMLLT GANAKGMDLG TIPGDCGAPY VHKRGNDWVV CGVHAAATKS GNTVVCAVQA GEGETALE

Formula weight

20098.89 Da

Source organism

Norwalk virus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.8 %, Completeness: 85.9 %, Completeness (bb): 94.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.9 % (1788 of 2082)	86.1 % (918 of 1066)	83.8 % (692 of 826)	93.7 % (178 of 190)
Backbone	94.1 % (1043 of 1108)	93.8 % (366 of 390)	94.3 % (509 of 540)	94.4 % (168 of 178)
Sidechain	78.6 % (895 of 1138)	81.4 % (550 of 676)	74.4 % (335 of 450)	83.3 % (10 of 12)
Aromatic	28.9 % (52 of 180)	46.7 % (42 of 90)	7.0 % (6 of 86)	100.0 % (4 of 4)
Methyl	92.5 % (196 of 212)	91.5 % (97 of 106)	93.4 % (99 of 106)

1. NVpro

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	NVpro	[U-99% 15N]	0.7-0.8 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	3 mM
5	D2O	natural abundance	5 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
11	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	3 mM
15	D2O	natural abundance	5 mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
16	NVpro	[U-15N]-Val	0.7 mM
17	sodium phosphate	natural abundance	20 mM
18	sodium chloride	natural abundance	100 mM
19	sodium azide	natural abundance	3 mM
20	D2O	natural abundance	5 mM

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
21	NVpro	[U-15N]-Ala	0.7 mM
22	sodium phosphate	natural abundance	20 mM
23	sodium chloride	natural abundance	100 mM
24	sodium azide	natural abundance	3 mM
25	D2O	natural abundance	5 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.06 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.06 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.58 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LNC, Strand ID: A Detail

Release date

2011-06-07

Citation

Backbone and side-chain ¹H, ¹⁵N, and ¹³C resonance assignments of Norwalk virus protease
Takahashi, D., Kim, Y., Chang, K., Anbanandam, A., Prakash, O.
Biomol. NMR Assign. (2012), 6, 19-21, PubMed 21647610 , DOI 10.1007/s12104-011-9316-3 , Abstract

Related entities 1. Norwalk virus protease, : 1 : 14 : 14 : 60 entities Detail

Experiments performed 21 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	NVpro	[U-99% 15N]	0.7-0.8 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	3 mM
5	D2O	natural abundance	5 mM

2 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

3 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

4 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

5 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

6 3D HN(CA)CO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

7 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

8 3D HN(CO)CA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

9 3D HNCA

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

10 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

11 3D CBCA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

12 3D HBHA(CO)NH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

13 3D H(CCO)NH

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

14 3D C(CO)NH

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

15 3D HNCACB

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

16 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
11	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	3 mM
15	D2O	natural abundance	5 mM

17 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

18 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	sodium chloride	natural abundance	100 mM
9	sodium azide	natural abundance	3 mM
10	D2O	[U-99% 2H]	5 mM

19 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	NVpro	[U-99% 15N]	0.7-0.8 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	sodium azide	natural abundance	3 mM
5	D2O	natural abundance	5 mM

20 3D hCCH-TOCSY

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
11	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	3 mM
15	D2O	natural abundance	5 mM

21 3D HCCH-TOCSY

Instrument

Varian UnityPlus - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5

#	Name	Isotope labeling	Concentration
11	NVpro	[U-99% 13C; U-99% 15N]	0.7-0.8 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium chloride	natural abundance	100 mM
14	sodium azide	natural abundance	3 mM
15	D2O	natural abundance	5 mM

NMR combined restraints 7 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17523_2lnc.nef
Input source #2: Coordindates	2lnc.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
MHHHHHHAPPTLWSRVTKFGSGWGFWVSPTVFITTTHVVPTGVKEFFGEPLSSIAIHQAGEFTQFRFSKKMRPDLTGMVLEEGCPEGTVCSVLIKRDSGE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MHHHHHHAPPTLWSRVTKFGSGWGFWVSPTVFITTTHVVPTGVKEFFGEPLSSIAIHQAGEFTQFRFSKKMRPDLTGMVLEEGCPEGTVCSVLIKRDSGE

-------110-------120-------130-------140-------150-------160-------170-------180--------
LLPLAVRMGAIASMRIQGRLVHGQSGMLLTGANAKGMDLGTIPGDCGAPYVHKRGNDWVVCGVHAAATKSGNTVVCAVQAGEGETALE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LLPLAVRMGAIASMRIQGRLVHGQSGMLLTGANAKGMDLGTIPGDCGAPYVHKRGNDWVVCGVHAAATKSGNTVVCAVQAGEGETALE

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	188	0	0	100.0

Content subtype: combined_17523_2lnc.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	NVpro_BB_and_SC_assingnment	Warning	1783		96.3 (chain: A, length: 188)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	3066 (1)	noe	95.2 (chain: A, length: 188)
2	Distance restraints	CNS/XPLOR_distance_constraints_6	OK	3065 (1)	noe	95.2 (chain: A, length: 188)
3	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	82 (1)	hbond	34.6 (chain: A, length: 188)
4	Distance restraints	CNS/XPLOR_distance_constraints_5	OK	83 (1)	hbond	35.6 (chain: A, length: 188)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	396 (396)	.	77.1 (chain: A, length: 188)

Assigned chemical shifts

Saveframe: NVpro_BB_and_SC_assingnment
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 188, Sequence coverage: 96.3%
- Total number of assignments
  - ¹H chemical shifts: 923
  - ¹³C chemical shifts: 683
  - ¹⁵N chemical shifts: 177
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1066	923	86.6
¹³C chemical shifts	826	683	82.7
¹⁵N chemical shifts	198	177	89.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	390	369	94.6
¹³C chemical shifts	376	355	94.4
¹⁵N chemical shifts	178	167	93.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	676	554	82.0
¹³C chemical shifts	450	328	72.9
¹⁵N chemical shifts	20	10	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	113	100	88.5
¹³C chemical shifts	113	96	85.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	90	39	43.3
¹³C chemical shifts	86	1	1.2
¹⁵N chemical shifts	4	4	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 188, Sequence coverage: 95.2%
- Total number of restraints: 3059
- Weight of restraints: 1.0 (3059)
- Potential type of restraints: square-well-parabolic (3059)
- Range of distance target values: 2.25, 4.25 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_6
  - Status: OK
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 188, Sequence coverage: 95.2%
  - Total number of restraints: 3060
  - Weight of restraints: 1.0 (3060)
  - Potential type of restraints: square-well-parabolic (3060)
  - Range of distance target values: 2.25, 4.25 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_3
    - Status: OK
    - Experiment type: hbond
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 188, Sequence coverage: 34.6%
    - Total number of restraints: 82
    - Weight of restraints: 1.0 (82)
    - Potential type of restraints: square-well-parabolic (82)
    - Range of distance target values: 2.4, 3.15 (Å)
    - Histogram of distance target values
    - Distance restraints per residue
      - Chain_ID: A
    - Distance restraints on contact map
    - Saveframe: CNS/XPLOR_distance_constraints_5
      - Status: OK
      - Experiment type: hbond
      - Sequence coverage of experimental data
        Entity_assembly_ID: A, Chain length: 188, Sequence coverage: 35.6%
      - Total number of restraints: 83
        Sequential restraints, | i - j | = 1 : 1
        Backbone-backbone: 1
        Total hydrogen bond restraints: 82
        O...H-x: 7
        O...h-N: 7
        Long range: 68
        O...H-x: 34
        O...h-N: 34
      - Weight of restraints: 1.0 (83)
        Sequential restraints, | i - j | = 1 : 1.0 (1)
        Backbone-backbone: 1.0 (1)
        Total hydrogen bond restraints: 1.0 (82)
        O...H-x: 1.0 (7)
        O...h-N: 1.0 (7)
        Long range: 1.0 (68)
        O...H-x: 1.0 (34)
        O...h-N: 1.0 (34)
      - Potential type of restraints: square-well-parabolic (83)
        Sequential restraints, | i - j | = 1 : square-well-parabolic (1)
        Backbone-backbone: square-well-parabolic (1)
        Total hydrogen bond restraints: square-well-parabolic (82)
        O...H-x: square-well-parabolic (7)
        O...h-N: square-well-parabolic (7)
        Long range: square-well-parabolic (68)
        O...H-x: square-well-parabolic (34)
        O...h-N: square-well-parabolic (34)
      - Range of distance target values: 2.4, 3.9 (Å)
      - Histogram of distance target values
      - Distance restraints per residue
        Chain_ID: A
      - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 188, Sequence coverage: 77.1%
- Total number of restraints: 396
- Total number of restraints per polymer type: 396
- Weight of restraints: 1.0 (396)
- Potential type of restraints: square-well-parabolic (396)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

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Found 1 Document (0.799 seconds)

BMRB: 17523

Sample #1

Sample #2

Sample #3

Sample #4

Sample #5

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Norwalk virus protease, : 1 : 14 : 14 : 60 entities Detail

Experiments performed 21 experiments Detail

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NMR combined restraints 7 contents Detail