Solution NMR structure of FHA domain of Mb1858 from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR243C (24-155).
VFRADFLSEL DAPAQAGTES AVSGVEGLPP GLALLVVKRG PNAGSRFLLD QAITSAGRHP DSDIFLDDVT VSRRHAEFRL ENNEFNVVDV GSLNGTYVNR EPVDSAVLAN GDEVQIGKFR LVFLTGHKQG EDLEHHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 95.4 % (1482 of 1553) | 96.5 % (769 of 797) | 94.1 % (575 of 611) | 95.2 % (138 of 145) |
Backbone | 96.0 % (795 of 828) | 96.9 % (278 of 287) | 95.6 % (389 of 407) | 95.5 % (128 of 134) |
Sidechain | 95.2 % (811 of 852) | 96.3 % (491 of 510) | 93.7 % (310 of 331) | 90.9 % (10 of 11) |
Aromatic | 76.6 % (95 of 124) | 82.3 % (51 of 62) | 71.0 % (44 of 62) | |
Methyl | 100.0 % (166 of 166) | 100.0 % (83 of 83) | 100.0 % (83 of 83) |
1. Mb1858
VFRADFLSEL DAPAQAGTES AVSGVEGLPP GLALLVVKRG PNAGSRFLLD QAITSAGRHP DSDIFLDDVT VSRRHAEFRL ENNEFNVVDV GSLNGTYVNR EPVDSAVLAN GDEVQIGKFR LVFLTGHKQG EDLEHHHHHHSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Mb1858 | natural abundance | 1.1 (±0.1) mM | |
10 | MES | natural abundance | 20 (±1.0) mM | |
11 | sodium chloride | natural abundance | 200 (±10.0) mM | |
12 | calcium chloride | natural abundance | 5 (±0.2) mM | |
13 | DTT | natural abundance | 10 (±0.5) mM | |
14 | sodium azide | natural abundance | 0.02 (±0.001) % | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±1) K, pH 6.5 (±0.1)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
17 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
18 | MES | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 200 (±10.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.2) mM | |
21 | DTT | natural abundance | 10 (±0.5) mM | |
22 | sodium azide | natural abundance | 0.02 (±0.001) % | |
23 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 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 | Mb1858 | natural abundance | 1.1 (±0.1) mM | |
10 | MES | natural abundance | 20 (±1.0) mM | |
11 | sodium chloride | natural abundance | 200 (±10.0) mM | |
12 | calcium chloride | natural abundance | 5 (±0.2) mM | |
13 | DTT | natural abundance | 10 (±0.5) mM | |
14 | sodium azide | natural abundance | 0.02 (±0.001) % | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
18 | MES | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 200 (±10.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.2) mM | |
21 | DTT | natural abundance | 10 (±0.5) mM | |
22 | sodium azide | natural abundance | 0.02 (±0.001) % | |
23 | D2O | natural abundance | 10 % |
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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
18 | MES | natural abundance | 20 (±1.0) mM | |
19 | sodium chloride | natural abundance | 200 (±10.0) mM | |
20 | calcium chloride | natural abundance | 5 (±0.2) mM | |
21 | DTT | natural abundance | 10 (±0.5) mM | |
22 | sodium azide | natural abundance | 0.02 (±0.001) % | |
23 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 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 | Mb1858 | natural abundance | 1.1 (±0.1) mM | |
10 | MES | natural abundance | 20 (±1.0) mM | |
11 | sodium chloride | natural abundance | 200 (±10.0) mM | |
12 | calcium chloride | natural abundance | 5 (±0.2) mM | |
13 | DTT | natural abundance | 10 (±0.5) mM | |
14 | sodium azide | natural abundance | 0.02 (±0.001) % | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 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 | Mb1858 | natural abundance | 1.1 (±0.1) mM | |
10 | MES | natural abundance | 20 (±1.0) mM | |
11 | sodium chloride | natural abundance | 200 (±10.0) mM | |
12 | calcium chloride | natural abundance | 5 (±0.2) mM | |
13 | DTT | natural abundance | 10 (±0.5) mM | |
14 | sodium azide | natural abundance | 0.02 (±0.001) % | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 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 | Mb1858 | [U-100% 13C; U-100% 15N] | 1.1 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 200 (±10.0) mM | |
4 | calcium chloride | natural abundance | 5 (±0.2) mM | |
5 | DTT | natural abundance | 10 (±0.5) mM | |
6 | sodium azide | natural abundance | 0.02 (±0.001) % | |
7 | H2O | natural abundance | 90 % | |
8 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16364_2kkl.nef |
Input source #2: Coordindates | 2kkl.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
-----30--------40--------50--------60--------70--------80--------90-------100-------110-------120--- VFRADFLSELDAPAQAGTESAVSGVEGLPPGLALLVVKRGPNAGSRFLLDQAITSAGRHPDSDIFLDDVTVSRRHAEFRLENNEFNVVDVGSLNGTYVNR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| VFRADFLSELDAPAQAGTESAVSGVEGLPPGLALLVVKRGPNAGSRFLLDQAITSAGRHPDSDIFLDDVTVSRRHAEFRLENNEFNVVDVGSLNGTYVNR --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ----130-------140-------150-------160--- EPVDSAVLANGDEVQIGKFRLVFLTGHKQGEDLEHHHHHH |||||||||||||||||||||||||||||||||||||||| EPVDSAVLANGDEVQIGKFRLVFLTGHKQGEDLEHHHHHH -------110-------120-------130-------140
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 140 | 0 | 0 | 100.0 |
Content subtype: combined_16364_2kkl.nef
Assigned chemical shifts
-----30--------40--------50--------60--------70--------80--------90-------100-------110-------120--- VFRADFLSELDAPAQAGTESAVSGVEGLPPGLALLVVKRGPNAGSRFLLDQAITSAGRHPDSDIFLDDVTVSRRHAEFRLENNEFNVVDVGSLNGTYVNR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| VFRADFLSELDAPAQAGTESAVSGVEGLPPGLALLVVKRGPNAGSRFLLDQAITSAGRHPDSDIFLDDVTVSRRHAEFRLENNEFNVVDVGSLNGTYVNR ----130-------140-------150-------160--- EPVDSAVLANGDEVQIGKFRLVFLTGHKQGEDLEHHHHHH ||||||||||||||||||||||||||||||||||| || EPVDSAVLANGDEVQIGKFRLVFLTGHKQGEDLEH...HH
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
38 | GLN | CD | 179.5 |
65 | ASN | CG | 179.5 |
74 | GLN | CD | 181.1 |
82 | HIS | ND1 | 250.5 |
82 | HIS | NE2 | 165.0 |
85 | SER | HG | 6.13 |
93 | THR | HG1 | 6.56 |
98 | HIS | HD1 | 11.1 |
98 | HIS | ND1 | 168.3 |
105 | ASN | CG | 178.1 |
106 | ASN | CG | 178.3 |
109 | ASN | CG | 175.4 |
117 | ASN | CG | 176.9 |
119 | THR | HG1 | 6.67 |
122 | ASN | CG | 175.9 |
133 | ASN | CG | 175.5 |
138 | GLN | CD | 180.1 |
150 | HIS | ND1 | 256.0 |
150 | HIS | NE2 | 177.4 |
152 | GLN | CD | 180.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 797 | 770 | 96.6 |
13C chemical shifts | 611 | 575 | 94.1 |
15N chemical shifts | 154 | 145 | 94.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 287 | 279 | 97.2 |
13C chemical shifts | 280 | 265 | 94.6 |
15N chemical shifts | 134 | 128 | 95.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 510 | 491 | 96.3 |
13C chemical shifts | 331 | 310 | 93.7 |
15N chemical shifts | 20 | 17 | 85.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 83 | 83 | 100.0 |
13C chemical shifts | 83 | 83 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 62 | 51 | 82.3 |
13C chemical shifts | 62 | 44 | 71.0 |
Distance restraints
-----30--------40--------50--------60--------70--------80--------90-------100-------110-------120--- VFRADFLSELDAPAQAGTESAVSGVEGLPPGLALLVVKRGPNAGSRFLLDQAITSAGRHPDSDIFLDDVTVSRRHAEFRLENNEFNVVDVGSLNGTYVNR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| VFRADFLSELDAPAQAGTESAVSGVEGLPPGLALLVVKRGPNAGSRFLLDQAITSAGRHPDSDIFLDDVTVSRRHAEFRLENNEFNVVDVGSLNGTYVNR ----130-------140-------150-------160--- EPVDSAVLANGDEVQIGKFRLVFLTGHKQGEDLEHHHHHH ||||||||||||||||||||||||||||||||||| || EPVDSAVLANGDEVQIGKFRLVFLTGHKQGEDLEH...HH
Dihedral angle restraints
-----30--------40--------50--------60--------70--------80--------90-------100-------110-------120--- VFRADFLSELDAPAQAGTESAVSGVEGLPPGLALLVVKRGPNAGSRFLLDQAITSAGRHPDSDIFLDDVTVSRRHAEFRLENNEFNVVDVGSLNGTYVNR |||||||||| ||||| ||||||| |||| |||||||||| ||||| |||||| ..............................GLALLVVKRG....SRFLL...ITSAGRH....IFLD....SRRHAEFRLE...FNVVD.....GTYVNR -----30--------40--------50--------60--------70--------80--------90-------100-------110-------120--- ----130-------140-------150-------160--- EPVDSAVLANGDEVQIGKFRLVFLTGHKQGEDLEHHHHHH |||||||||| |||||| ||||||| EPVDSAVLAN.DEVQIG.FRLVFLT ----130-------140--------