BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	63.0 % (735 of 1166)	63.7 % (390 of 612)	57.6 % (264 of 458)	84.4 % (81 of 96)
Backbone	86.9 % (499 of 574)	85.2 % (167 of 196)	88.2 % (253 of 287)	86.8 % (79 of 91)
Sidechain	46.3 % (316 of 683)	53.6 % (223 of 416)	34.7 % (91 of 262)	40.0 % (2 of 5)
Aromatic	10.0 % (8 of 80)	15.0 % (6 of 40)	0.0 % (0 of 38)	100.0 % (2 of 2)
Methyl	48.1 % (50 of 104)	88.5 % (46 of 52)	7.7 % (4 of 52)

1. TM006 protein from Thermotoga maritima

GSSHHHHHHS SGLVPRGSHM AKYQVTKTLD VRGEVCPVPD VETKRALQNM KPGEILEVWI DYPMSKERIP ETVKKLGHEV LEIEEVGPSE WKIYIKVK

Show sample condition

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

LACS Plot; CA

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

Referencing offset: 0.77 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.77 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.04 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.22 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Coupling constant

79 J values in 1 lists
Temperature 310 (±1) K, pH 6.8 (±0.2) Detail

Release date

2002-02-19

Citation

An NMR approach to structural proteomics
Yee, A., Chang, X., Pineda-Lucena, A., Wu, B., Semesi, A., Le, B., Ramelot, T., Lee, G.M., Bhattacharyya, S., Gutierrez, P., Denisov, A., Lee, C., Cort, J.R., Kozlov, G., Liao, J., Finak, G., Chen, L., Wishart, D., Lee, W., McIntosh, L.P., Gehring, K., Kennedy, M.A., Edwards, A.M., Arrowsmith, C.H.
Proc. Natl. Acad. Sci. U.S.A. (2002), 99, 1825-1830, PubMed , DOI:

Related entities 1. TM006 protein from Thermotoga maritima, : 1 : 1 : 12 entities Detail

Experiments performed 11 experiments Detail

1 3D HNCACB

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

2 3D CBCA(CO)HN

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

3 3D HNCO

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

4 3D HN(CA)CO

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

5 3D HNHA

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

6 3D 15N-HMQC-NOESY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

7 3D 15N-HMQC-TOCSY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

8 2D NOESY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

9 2D TOCSY

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

10 2D 15N-HSQC

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

11 2D 13C-HSQC

Instrument

Model Bruker DRX (500 MHz)

Sample #1

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
1	TM006 protein from Thermotoga maritima	[U-99% 13C; U-99% 15N]	2 mM
2	H20		90 %
3	D20		10 %

Sample #2

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Concentration
4	TM006 protein from Thermotoga maritima	[U-99% 15N]	2 mM
5	H20		90 %
6	D20		10 %

Sample #3

Temperature 310 (±1) K, pH 6.8 (±0.2)

#	Name	Concentration
7	TM006 protein from Thermotoga maritima	5 mM
8	H20	90 %
9	D20	10 %

nullKeywords NMR, protein, structure

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BMRB: 5060

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. TM006 protein from Thermotoga maritima, : 1 : 1 : 12 entities Detail

Experiments performed 11 experiments Detail

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