Solution NMR structure of HTH_XRE family transcriptional regulator BT_p548217 from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium Target BtR244.
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 93.6 % (861 of 920) | 94.4 % (452 of 479) | 92.5 % (331 of 358) | 94.0 % (78 of 83) |
Backbone | 94.3 % (434 of 460) | 94.8 % (147 of 155) | 94.3 % (216 of 229) | 93.4 % (71 of 76) |
Sidechain | 93.3 % (499 of 535) | 94.1 % (305 of 324) | 91.7 % (187 of 204) | 100.0 % (7 of 7) |
Aromatic | 50.0 % (26 of 52) | 50.0 % (13 of 26) | 50.0 % (13 of 26) | |
Methyl | 100.0 % (102 of 102) | 100.0 % (51 of 51) | 100.0 % (51 of 51) |
1. XRE
MELSNELKVE RIRLSLTAKS VAEEMGISRQ QLCNIEQSET APVVVKYIAF LRSKGVDLNA LFDRIIVNKL EHHHHHHSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
10 | sodium chloride | natural abundance | 100 (±5.0) mM | |
11 | calcium chloride | natural abundance | 5 (±0.25) mM | |
12 | DTT | natural abundance | 10 (±0.5) mM | |
13 | sodium azide | natural abundance | 0.02 (±0.001) % | |
14 | protein | [U-100% 13C; U-100% 15N] | .9 (±0.05) mM | |
15 | D2O | natural abundance | 100 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1), Details mix 50% NC-labeled and 50% unlabeled protein together
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
17 | sodium chloride | natural abundance | 100 (±5.0) mM | |
18 | calcium chloride | natural abundance | 5 (±0.25) mM | |
19 | DTT | natural abundance | 10 (±0.5) mM | |
20 | sodium azide | natural abundance | 0.02 (±0.001) % | |
21 | protein | [U-100% 13C; U-100% 15N] | .5 (±0.03) mM | |
22 | protein | natural abundance | .5 (±0.03) mM | |
23 | H2O | natural abundance | 95 % | |
24 | D2O | natural abundance | 5 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1), Details 5% 13C labeled
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
25 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
26 | sodium chloride | natural abundance | 100 (±5.0) mM | |
27 | calcium chloride | natural abundance | 5 (±0.25) mM | |
28 | DTT | natural abundance | 10 (±0.5) mM | |
29 | sodium azide | natural abundance | 0.02 (±0.001) % | |
30 | protein | [U-5% 13C; U-100% 15N] | 1 (±0.05) mM | |
31 | H2O | natural abundance | 95 % | |
32 | D2O | natural abundance | 5 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Varian INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1), Details 5% 13C labeled
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
25 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
26 | sodium chloride | natural abundance | 100 (±5.0) mM | |
27 | calcium chloride | natural abundance | 5 (±0.25) mM | |
28 | DTT | natural abundance | 10 (±0.5) mM | |
29 | sodium azide | natural abundance | 0.02 (±0.001) % | |
30 | protein | [U-5% 13C; U-100% 15N] | 1 (±0.05) mM | |
31 | H2O | natural abundance | 95 % | |
32 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1), Details mix 50% NC-labeled and 50% unlabeled protein together
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
17 | sodium chloride | natural abundance | 100 (±5.0) mM | |
18 | calcium chloride | natural abundance | 5 (±0.25) mM | |
19 | DTT | natural abundance | 10 (±0.5) mM | |
20 | sodium azide | natural abundance | 0.02 (±0.001) % | |
21 | protein | [U-100% 13C; U-100% 15N] | .5 (±0.03) mM | |
22 | protein | natural abundance | .5 (±0.03) mM | |
23 | H2O | natural abundance | 95 % | |
24 | D2O | natural abundance | 5 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
10 | sodium chloride | natural abundance | 100 (±5.0) mM | |
11 | calcium chloride | natural abundance | 5 (±0.25) mM | |
12 | DTT | natural abundance | 10 (±0.5) mM | |
13 | sodium azide | natural abundance | 0.02 (±0.001) % | |
14 | protein | [U-100% 13C; U-100% 15N] | .9 (±0.05) mM | |
15 | D2O | natural abundance | 100 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
10 | sodium chloride | natural abundance | 100 (±5.0) mM | |
11 | calcium chloride | natural abundance | 5 (±0.25) mM | |
12 | DTT | natural abundance | 10 (±0.5) mM | |
13 | sodium azide | natural abundance | 0.02 (±0.001) % | |
14 | protein | [U-100% 13C; U-100% 15N] | .9 (±0.05) mM | |
15 | D2O | natural abundance | 100 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
10 | sodium chloride | natural abundance | 100 (±5.0) mM | |
11 | calcium chloride | natural abundance | 5 (±0.25) mM | |
12 | DTT | natural abundance | 10 (±0.5) mM | |
13 | sodium azide | natural abundance | 0.02 (±0.001) % | |
14 | protein | [U-100% 13C; U-100% 15N] | .9 (±0.05) mM | |
15 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
10 | sodium chloride | natural abundance | 100 (±5.0) mM | |
11 | calcium chloride | natural abundance | 5 (±0.25) mM | |
12 | DTT | natural abundance | 10 (±0.5) mM | |
13 | sodium azide | natural abundance | 0.02 (±0.001) % | |
14 | protein | [U-100% 13C; U-100% 15N] | .9 (±0.05) mM | |
15 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1), Details mix 50% NC-labeled and 50% unlabeled protein together
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
17 | sodium chloride | natural abundance | 100 (±5.0) mM | |
18 | calcium chloride | natural abundance | 5 (±0.25) mM | |
19 | DTT | natural abundance | 10 (±0.5) mM | |
20 | sodium azide | natural abundance | 0.02 (±0.001) % | |
21 | protein | [U-100% 13C; U-100% 15N] | .5 (±0.03) mM | |
22 | protein | natural abundance | .5 (±0.03) mM | |
23 | H2O | natural abundance | 95 % | |
24 | D2O | natural abundance | 5 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 (±.5) K, pH 5.5 (±.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ammonium acetate | natural abundance | 20 (±1.0) mM | |
2 | sodium chloride | natural abundance | 100 (±5.0) mM | |
3 | calcium chloride | natural abundance | 5 (±0.25) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | protein | [U-100% 13C; U-100% 15N] | 0.9 (±0.05) mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15999_2k9q.nef |
Input source #2: Coordindates | 2k9q.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
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
--------10--------20--------30--------40--------50--------60--------70------- MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHHHHH
--------10--------20--------30--------40--------50--------60--------70------- MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 77 | 0 | 0 | 100.0 |
B | B | 77 | 0 | 0 | 100.0 |
Content subtype: combined_15999_2k9q.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70------- MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHH --------10--------20--------30--------40--------50--------60--------70----
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
5 | ASN | CG | 176.3 |
20 | SER | HG | 5.7 |
30 | GLN | CD | 180.4 |
31 | GLN | CD | 180.0 |
34 | ASN | CG | 176.0 |
37 | GLN | CD | 180.8 |
59 | ASN | CG | 175.0 |
68 | ASN | CG | 176.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 479 | 452 | 94.4 |
13C chemical shifts | 358 | 331 | 92.5 |
15N chemical shifts | 88 | 83 | 94.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 155 | 147 | 94.8 |
13C chemical shifts | 154 | 144 | 93.5 |
15N chemical shifts | 76 | 71 | 93.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 324 | 305 | 94.1 |
13C chemical shifts | 204 | 187 | 91.7 |
15N chemical shifts | 12 | 12 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 53 | 53 | 100.0 |
13C chemical shifts | 53 | 53 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 26 | 13 | 50.0 |
13C chemical shifts | 26 | 13 | 50.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70------- MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEH --------10--------20--------30--------40--------50--------60--------70--
--------10--------20--------30--------40--------50--------60--------70------- MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEH --------10--------20--------30--------40--------50--------60--------70--
--------10--------20--------30--------40--------50--------60--------70------- MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHHHHH ||||||||||||||||||||||| ||| ||| | ||||||||||| || ||| ||| ..LSNELKVERIRLSLTAKSVAEEM..SRQ.LCN..Q.....VVVKYIAFLRS.GV.LNA.FDR --------10--------20--------30--------40--------50--------60----
--------10--------20--------30--------40--------50--------60--------70------- MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHHHHH ||||||||||||||||||||||| ||| ||| | ||||||||||| || ||| ||| ..LSNELKVERIRLSLTAKSVAEEM..SRQ.LCN..Q.....VVVKYIAFLRS.GV.LNA.FDR --------10--------20--------30--------40--------50--------60----
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70------- MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHHHHH ||||||||||||||||||||||||||||||||||||| ||||||||||||||| |||||||||| .ELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQS.TAPVVVKYIAFLRSK..DLNALFDRII --------10--------20--------30--------40--------50--------60------
--------10--------20--------30--------40--------50--------60--------70------- MELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQSETAPVVVKYIAFLRSKGVDLNALFDRIIVNKLEHHHHHH ||||||||||||||||||||||||||||||||||||| ||||||||||||||| |||||||||| .ELSNELKVERIRLSLTAKSVAEEMGISRQQLCNIEQS.TAPVVVKYIAFLRSK..DLNALFDRII --------10--------20--------30--------40--------50--------60------