BMRB: 5357

1H, 13C, and 15N Chemical Shift Assignments for tm1112

Authors

Arrowsmith, C.H.

Assembly

tm1112

Entity

1. tm1112 (polymer, Thiol state: not reported), 89 monomers, 10757.27 Da Detail

MEVKIEKPTP EKLKELSVEK WPIWEKEVSE FDWYYDTNET CYILEGKVEV TTEDGKKYVI EKGDLVTFPK GLRCRWKVLE PVRKHYNLF

Formula weight

10757.27 Da

Source organism

Thermotoga maritima

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.9 %, Completeness (bb): 98.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.9 % (998 of 1136)	88.0 % (526 of 598)	85.3 % (382 of 448)	100.0 % (90 of 90)
Backbone	98.3 % (515 of 524)	97.7 % (173 of 177)	98.1 % (258 of 263)	100.0 % (84 of 84)
Sidechain	81.3 % (567 of 697)	83.8 % (353 of 421)	77.0 % (208 of 270)	100.0 % (6 of 6)
Aromatic	40.2 % (49 of 122)	73.8 % (45 of 61)	0.0 % (0 of 57)	100.0 % (4 of 4)
Methyl	95.7 % (88 of 92)	95.7 % (44 of 46)	95.7 % (44 of 46)

1. tm1112

MEVKIEKPTP EKLKELSVEK WPIWEKEVSE FDWYYDTNET CYILEGKVEV TTEDGKKYVI EKGDLVTFPK GLRCRWKVLE PVRKHYNLF

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Sample

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	tm1112	[U-13C; U-15N]		1.0 mM

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LACS Plot; CA

Referencing offset: -0.24 ppm, Outliers: 1 Detail

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Chemical shift reference

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

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LACS Plot; CB

Referencing offset: -0.24 ppm, Outliers: 1 Detail

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Chemical shift reference

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

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LACS Plot; HA

Referencing offset: -0.12 ppm, Outliers: 1 Detail

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Chemical shift reference

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

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LACS Plot; CO

Referencing offset: 0.5 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
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

Calculated from 10 models in PDB: 1LKN, Strand ID: A Detail

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Coupling constant

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

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Temperature 298 (±1) K, pH 6.5 (±0.2)

List #1 tm1112_J

Release date

2006-04-05

Citation

Structure and fold of tm1112
Arrowsmith, C.H.
J. Mol. Biol.

Related entities 1. tm1112, : 1 : 2 : 32 entities Detail

Experiments performed 1 experiments Detail