BMRB: 6045

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Hypothetical protein PF0455

Authors

Liu, G., Atreya, H.S., Sukumaran, D.K., Xiao, R., Acton, T., Montelione, G.T., Szyperski, T.

Assembly

pfr13 monomer

Entity

1. pfr13 monomer (polymer, Thiol state: not present), 110 monomers, 13156.13 Da Detail

MEWEMGLQEE FLELIKLRKK KIEGRLYDEK RRQIKPGDVI SFEGGKLKVR VKAIRVYNSF REMLEKEGLE NVLPGVKSIE EGIQVYRRFY DEEKEKKYGV VAIEIEPLEY

Formula weight

13156.13 Da

Source organism

Pyrococcus furiosus

Exptl. method

NMR

Refine. method

distance geometry, simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.0 %, Completeness (bb): 97.4 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	98.0 % (1373 of 1401)	98.4 % (736 of 748)	97.8 % (528 of 540)	96.5 % (109 of 113)
Backbone	97.4 % (637 of 654)	97.8 % (221 of 226)	97.5 % (313 of 321)	96.3 % (103 of 107)
Sidechain	98.6 % (836 of 848)	98.7 % (515 of 522)	98.4 % (315 of 320)	100.0 % (6 of 6)
Aromatic	98.0 % (98 of 100)	100.0 % (50 of 50)	95.9 % (47 of 49)	100.0 % (1 of 1)
Methyl	100.0 % (116 of 116)	100.0 % (58 of 58)	100.0 % (58 of 58)

1. Hypothetical protein PF0455

MEWEMGLQEE FLELIKLRKK KIEGRLYDEK RRQIKPGDVI SFEGGKLKVR VKAIRVYNSF REMLEKEGLE NVLPGVKSIE EGIQVYRRFY DEEKEKKYGV VAIEIEPLEY

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Hypothetical protein PF0455			1.0 mM

Hide sample codition

LACS Plot; CA

Referencing offset: -0.73 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Hide chemical shift referencing parameters

LACS Plot; CB

Referencing offset: -0.73 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Hide chemical shift referencing parameters

LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Hide chemical shift referencing parameters

LACS Plot; CO

Referencing offset: -2.91 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

Hide chemical shift referencing parameters

Protein Blocks Logo

Calculated from 20 models in PDB: 1S04, Strand ID: A Detail

---

Coupling constant

96 J values in 1 lists
Temperature 298 (±1) K, pH 6.5 (±0.2) Detail

---

Temperature 298 (±1) K, pH 6.5 (±0.2)

List #1 J_values_set_1

Release date

2006-04-05

Citation

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Hypothetical protein PF0455
Liu, G., Atreya, H.S., Sukumaran, D.K., Xiao, R., Acton, T., Montelione, G.T., Szyperski, T.
J. Biomol. NMR

Related entities 1. pfr13 monomer, : 1 : 11 entities Detail

Experiments performed 4 experiments Detail