BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	95.9 % (1090 of 1137)	96.2 % (561 of 583)	96.4 % (431 of 447)	91.6 % (98 of 107)
Backbone	94.1 % (578 of 614)	93.8 % (195 of 208)	95.5 % (297 of 311)	90.5 % (86 of 95)
Sidechain	97.9 % (609 of 622)	97.6 % (366 of 375)	98.3 % (231 of 235)	100.0 % (12 of 12)
Aromatic	100.0 % (48 of 48)	100.0 % (24 of 24)	100.0 % (23 of 23)	100.0 % (1 of 1)
Methyl	98.4 % (122 of 124)	98.4 % (61 of 62)	98.4 % (61 of 62)

1. entity

GSHMGTTTAP DAPPDPTVDQ VDDTSIVVRW SRPQAPITGY RIVYSPSVEG SSTELNLPET ANSVTLSDLQ PGVQYNITIY AVEENQESTP VVIQQETTGT PRSDGT

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	entity	[U-99% 13C; U-99% 15N]	0.6 mM
2	sodium phosphate	natural abundance	10 mM
3	potassium phosphate	natural abundance	1.8 mM
4	sodium chloride	natural abundance	140 mM
5	potassium chloride	natural abundance	2.7 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.5

#	Name	Isotope labeling	Concentration
8	entity	[U-99% 15N]	0.6 mM
9	sodium phosphate	natural abundance	10 mM
10	potassium phosphate	natural abundance	1.8 mM
11	sodium chloride	natural abundance	140 mM
12	potassium chloride	natural abundance	2.7 mM
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.5

#	Name	Isotope labeling	Concentration
15	entity	natural abundance	0.6 mM
16	sodium phosphate	natural abundance	10 mM
17	potassium phosphate	natural abundance	1.8 mM
18	sodium chloride	natural abundance	140 mM
19	potassium chloride	natural abundance	2.7 mM
20	H2O	natural abundance	90 %
21	D2O	natural abundance	10 %

Solvent system 100% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.5

#	Name	Isotope labeling	Concentration
22	entity	natural abundance	0.6 mM
23	sodium phosphate	natural abundance	10 mM
24	potassium phosphate	natural abundance	1.8 mM
25	sodium chloride	natural abundance	140 mM
26	potassium chloride	natural abundance	2.7 mM
27	D2O	natural abundance	100 %

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298.15 K, pH 7.5

#	Name	Isotope labeling	Concentration
28	entity	[U-99% 13C; U-99% 15N]	0.9 mM
29	sodium phosphate	natural abundance	10 mM
30	potassium phosphate	natural abundance	1.8 mM
31	sodium chloride	natural abundance	140 mM
32	potassium chloride	natural abundance	2.7 mM
33	entity	natural abundance	0.9 mM
34	H2O	natural abundance	90 %
35	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.755 ppm	internal	indirect	0.2514495
¹H	water	protons	4.755 ppm	internal	direct	1.0
¹⁵N	water	protons	4.755 ppm	internal	indirect	0.1013291

Referencing offset: -0.33 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.755 ppm	internal	indirect	0.2514495
¹H	water	protons	4.755 ppm	internal	direct	1.0
¹⁵N	water	protons	4.755 ppm	internal	indirect	0.1013291

Referencing offset: -0.33 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.755 ppm	internal	indirect	0.2514495
¹H	water	protons	4.755 ppm	internal	direct	1.0
¹⁵N	water	protons	4.755 ppm	internal	indirect	0.1013291

Referencing offset: -0.04 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.755 ppm	internal	indirect	0.2514495
¹H	water	protons	4.755 ppm	internal	direct	1.0
¹⁵N	water	protons	4.755 ppm	internal	indirect	0.1013291

Referencing offset: 0.97 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 25 models in PDB: 2N1K, Strand ID: A Detail

Release date

2015-11-08

Citation

Structure and Unfolding of the Third Type III Domain from Human Fibronectin
Stine, J.M., Sun, Y., Armstrong, G., Briknarova, K.
Biochemistry (2015), 54, 6724-6733, PubMed 26517579 , DOI 10.1021/acs.biochem.5b00818 , Abstract