Solution NMR structure of a MucBP domain (fragment 187-294) of the protein LBA1460 from Lactobacillus acidophilus, Northeast structural genomics consortium target LaR80A
MIEPIKRTQV VTQTIHYRYE DGAVAHDDHV VSLIFTQSGK RDLTNGKEIW DSKWSLTQTF EALPSPVIIG YTADKPMVGP DEVTVDSKNF LDKQNREETV IYSANTITQN KKDGLEHHHH HHMIEPIKRT QVVTQTIHYR YEDGAVAHDD HVVSLIFTQS GKRDLTNGKE IWDSKWSLTQ TFEALPSPVI IGYTADKPMV GPDEVTVDSK NFLDKQNREE TVIYSANTIT QNKKDGLEHH HHHHMIEPIK RTQVVTQTIH YRYEDGAVAH DDHVVSLIFT QSGKRDLTNG KEIWDSKWSL TQTFEALPSP VIIGYTADKP MVGPDEVTVD SKNFLDKQNR EETVIYSANT ITQNKKDGLE HHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 39.8 % (1702 of 4281) | 39.7 % (878 of 2214) | 38.8 % (650 of 1677) | 44.6 % (174 of 390) |
Backbone | 43.1 % (933 of 2166) | 44.2 % (325 of 735) | 41.4 % (447 of 1080) | 45.9 % (161 of 351) |
Sidechain | 37.2 % (916 of 2463) | 37.4 % (553 of 1479) | 37.0 % (350 of 945) | 33.3 % (13 of 39) |
Aromatic | 24.3 % (89 of 366) | 25.7 % (47 of 183) | 22.6 % (40 of 177) | 33.3 % (2 of 6) |
Methyl | 43.5 % (175 of 402) | 44.3 % (89 of 201) | 42.8 % (86 of 201) |
1. MucBP
MIEPIKRTQV VTQTIHYRYE DGAVAHDDHV VSLIFTQSGK RDLTNGKEIW DSKWSLTQTF EALPSPVIIG YTADKPMVGP DEVTVDSKNF LDKQNREETV IYSANTITQN KKDGLEHHHH HHMIEPIKRT QVVTQTIHYR YEDGAVAHDD HVVSLIFTQS GKRDLTNGKE IWDSKWSLTQ TFEALPSPVI IGYTADKPMV GPDEVTVDSK NFLDKQNREE TVIYSANTIT QNKKDGLEHH HHHHMIEPIK RTQVVTQTIH YRYEDGAVAH DDHVVSLIFT QSGKRDLTNG KEIWDSKWSL TQTFEALPSP VIIGYTADKP MVGPDEVTVD SKNFLDKQNR EETVIYSANT ITQNKKDGLE HHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | MucBP | U-100% 15N and 5% 13C biosynthetically directed | 1.2 (±0.1) mM | |
10 | MES | natural abundance | 20 (±1.0) mM | |
11 | sodium chloride | natural abundance | 100 (±5.0) mM | |
12 | calcium chloride | natural abundance | 5 (±0.25) mM | |
13 | DTT | natural abundance | 10 (±0.5) mM | |
14 | sodium azide | natural abundance | 0.02 (±0.001) % | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | MucBP | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
18 | MES | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 100 (±5.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.25) mM | |
21 | sodium azide | natural abundance | 0.02 (±0.001) % | |
22 | DTT | natural abundance | 10 (±0.5) mM | |
23 | D2O | natural abundance | 100 % |
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 |
Bruker Avance III - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Bruker Avance III - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Bruker Avance III - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | MucBP | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
18 | MES | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 100 (±5.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.25) mM | |
21 | sodium azide | natural abundance | 0.02 (±0.001) % | |
22 | DTT | natural abundance | 10 (±0.5) mM | |
23 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | MucBP | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
18 | MES | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 100 (±5.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.25) mM | |
21 | sodium azide | natural abundance | 0.02 (±0.001) % | |
22 | DTT | natural abundance | 10 (±0.5) mM | |
23 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | MucBP | U-100% 15N and 5% 13C biosynthetically directed | 1.2 (±0.1) mM | |
10 | MES | natural abundance | 20 (±1.0) mM | |
11 | sodium chloride | natural abundance | 100 (±5.0) mM | |
12 | calcium chloride | natural abundance | 5 (±0.25) mM | |
13 | DTT | natural abundance | 10 (±0.5) mM | |
14 | sodium azide | natural abundance | 0.02 (±0.001) % | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Bruker Avance III - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Bruker Avance III - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Bruker Avance III - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | MucBP | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
18 | MES | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 100 (±5.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.25) mM | |
21 | sodium azide | natural abundance | 0.02 (±0.001) % | |
22 | DTT | natural abundance | 10 (±0.5) mM | |
23 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | MucBP | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
18 | MES | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 100 (±5.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.25) mM | |
21 | sodium azide | natural abundance | 0.02 (±0.001) % | |
22 | DTT | natural abundance | 10 (±0.5) mM | |
23 | D2O | natural abundance | 100 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | MucBP | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
18 | MES | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 100 (±5.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.25) mM | |
21 | sodium azide | natural abundance | 0.02 (±0.001) % | |
22 | DTT | natural abundance | 10 (±0.5) mM | |
23 | D2O | natural abundance | 100 % |
Bruker Avance III - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | MucBP | [U-100% 13C; U-100% 15N] | 1.2 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.25) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | DTT | natural abundance | 10 (±0.5) mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 90 % |
Bruker Avance III - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | MucBP | U-100% 15N and 5% 13C biosynthetically directed | 1.2 (±0.1) mM | |
10 | MES | natural abundance | 20 (±1.0) mM | |
11 | sodium chloride | natural abundance | 100 (±5.0) mM | |
12 | calcium chloride | natural abundance | 5 (±0.25) mM | |
13 | DTT | natural abundance | 10 (±0.5) mM | |
14 | sodium azide | natural abundance | 0.02 (±0.001) % | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 90 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_17754_2lfi.nef |
Input source #2: Coordindates | 2lfi.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--------80--------90-------100 MIEPIKRTQVVTQTIHYRYEDGAVAHDDHVVSLIFTQSGKRDLTNGKEIWDSKWSLTQTFEALPSPVIIGYTADKPMVGPDEVTVDSKNFLDKQNREETV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MIEPIKRTQVVTQTIHYRYEDGAVAHDDHVVSLIFTQSGKRDLTNGKEIWDSKWSLTQTFEALPSPVIIGYTADKPMVGPDEVTVDSKNFLDKQNREETV -------110-------120-- IYSANTITQNKKDGLEHHHHHH |||||||||||||||||||||| IYSANTITQNKKDGLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 122 | 0 | 0 | 100.0 |
Content subtype: combined_17754_2lfi.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MIEPIKRTQVVTQTIHYRYEDGAVAHDDHVVSLIFTQSGKRDLTNGKEIWDSKWSLTQTFEALPSPVIIGYTADKPMVGPDEVTVDSKNFLDKQNREETV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MIEPIKRTQVVTQTIHYRYEDGAVAHDDHVVSLIFTQSGKRDLTNGKEIWDSKWSLTQTFEALPSPVIIGYTADKPMVGPDEVTVDSKNFLDKQNREETV --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-- IYSANTITQNKKDGLEHHHHHH |||||||||||||||||| IYSANTITQNKKDGLEHH -------110--------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
18 | ARG | HH11 | 6.13 |
18 | ARG | HH12 | 6.13 |
18 | ARG | NH1 | 107.7 |
45 | ASN | CG | 175.7 |
65 | SER | HG | 5.46 |
89 | ASN | CG | 176.6 |
95 | ASN | CG | 177.0 |
105 | ASN | CG | 176.7 |
109 | GLN | CD | 180.3 |
110 | ASN | CG | 176.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 738 | 682 | 92.4 |
13C chemical shifts | 559 | 507 | 90.7 |
15N chemical shifts | 134 | 126 | 94.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 245 | 235 | 95.9 |
13C chemical shifts | 244 | 229 | 93.9 |
15N chemical shifts | 117 | 112 | 95.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 493 | 447 | 90.7 |
13C chemical shifts | 315 | 278 | 88.3 |
15N chemical shifts | 17 | 14 | 82.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 69 | 68 | 98.6 |
13C chemical shifts | 69 | 68 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 37 | 60.7 |
13C chemical shifts | 59 | 33 | 55.9 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MIEPIKRTQVVTQTIHYRYEDGAVAHDDHVVSLIFTQSGKRDLTNGKEIWDSKWSLTQTFEALPSPVIIGYTADKPMVGPDEVTVDSKNFLDKQNREETV |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MIEPIKRTQVVTQTIHYRYEDGAVAHDDHVVSLIFTQSGKRDLTNGKEIWDSKWSLTQTFEALPSPVIIGYTADKPMVGPDEVTVDSKNFLDKQNREETV --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-- IYSANTITQNKKDGLEHHHHHH |||||||||||||||||| IYSANTITQNKKDGLEHH -------110--------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MIEPIKRTQVVTQTIHYRYEDGAVAHDDHVVSLIFTQSGKRDLTNGKEIWDSKWSLTQTFEALPSPVIIGYTADKPMVGPDEVTVDSKNFLDKQNREETV ||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||| |||||||||||||| |||||||||||| ||||| MIEPIKRTQVVTQTIHYRYEDGAVAHD.HVVSLIFTQSGKRDLTNGKEIWDSKWSLTQTFE....PVIIGYTADKPMVG..EVTVDSKNFLDK..REETV --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-- IYSANTITQNKKDGLEHHHHHH |||||| IYSANT ------
RDC restraints