NMR solution structure of nucleotide-free Ran GTPase
MAAQGEPQVQ FKLVLVGDGG TGKTTFVKRH LTGEFEKKYV ATLGVEVHPL VFHTNRGPIK FNVWDTAGQE KFGGLRDGYY IQAQCAIIMF DVTSRVTYKN VPNWHRDLVR VCENIPIVLC GNKVDIKDRK VKAKSIVFHR KKNLQYYDIS AKSNYNFEKP FLWLARKLIG DPNLEFVAMP ALAPPEVVMD PALAAQYEHD LEVAQTTALP DEDDDL
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 86.4 % (2225 of 2575) | 83.8 % (1121 of 1337) | 86.9 % (879 of 1012) | 99.6 % (225 of 226) |
Backbone | 86.6 % (1101 of 1272) | 64.3 % (279 of 434) | 97.6 % (619 of 634) | 99.5 % (203 of 204) |
Sidechain | 87.8 % (1322 of 1505) | 93.2 % (842 of 903) | 79.0 % (458 of 580) | 100.0 % (22 of 22) |
Aromatic | 97.9 % (229 of 234) | 100.0 % (117 of 117) | 95.6 % (109 of 114) | 100.0 % (3 of 3) |
Methyl | 97.7 % (250 of 256) | 96.9 % (124 of 128) | 98.4 % (126 of 128) |
1. entity
MAAQGEPQVQ FKLVLVGDGG TGKTTFVKRH LTGEFEKKYV ATLGVEVHPL VFHTNRGPIK FNVWDTAGQE KFGGLRDGYY IQAQCAIIMF DVTSRVTYKN VPNWHRDLVR VCENIPIVLC GNKVDIKDRK VKAKSIVFHR KKNLQYYDIS AKSNYNFEKP FLWLARKLIG DPNLEFVAMP ALAPPEVVMD PALAAQYEHD LEVAQTTALP DEDDDLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz Bruker AVIII-600 MHz Avance console. Dexter.
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz Bruker AVIII-600 MHz Avance console. Dexter.
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz Bruker AVIII-600 MHz Avance console. Dexter.
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz Bruker AVIII-600 MHz Avance console. Dexter.
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz Bruker AVIII-600 MHz Avance console. Dexter.
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz Bruker AVIII-600 MHz Avance console. Dexter.
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz Bruker AVIII-600 MHz Avance console. Dexter.
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz Bruker AVIII-600 MHz Avance console. Dexter.
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz Bruker AVIII-600 MHz Avance console. Dexter.
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz Bruker AVIII-600 MHz Avance console. Dexter.
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz Bruker AVIII-600 MHz Avance console. Dexter.
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 0.5mM [U 15N, U 13C]-Ran GTPase. Buffer: 20mM HEPES (pH 7.4), 100mM KCl (99.9% purity), 2mM MgCl2 (99.9% purity), 2mM DTT, and 0.04% NaN3.
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | RAN GTPASE | [U-100% 13C; U-100% 15N] | 0.5 mM | |
2 | D2O | [U-100% 2H] | 10 % | |
3 | HEPES | natural abundance | 20 mM | |
4 | DTT | natural abundance | 2 mM | |
5 | sodium azide | natural abundance | 0.04 % | |
6 | potassium chloride | natural abundance | 100 mM | |
7 | magnesium chloride | natural abundance | 2 mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Dihedral angle restraints | combined_25554_2n1b.nef |
Input source #2: Coordindates | 2n1b.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--------6 MRGSHHHHHHGMASMTGGQQMGRDLYDDDDKDPSSRSAAGTMAAQGEPQVQFKLVLVGDGGTGKTTFVKRHLTGEFEKKYVATLGVEVHPLVFHTNRGPI |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MRGSHHHHHHGMASMTGGQQMGRDLYDDDDKDPSSRSAAGTMAAQGEPQVQFKLVLVGDGGTGKTTFVKRHLTGEFEKKYVATLGVEVHPLVFHTNRGPI --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0--------70--------80--------90-------100-------110-------120-------130-------140-------150-------16 KFNVWDTAGQEKFGGLRDGYYIQAQCAIIMFDVTSRVTYKNVPNWHRDLVRVCENIPIVLCGNKVDIKDRKVKAKSIVFHRKKNLQYYDISAKSNYNFEK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KFNVWDTAGQEKFGGLRDGYYIQAQCAIIMFDVTSRVTYKNVPNWHRDLVRVCENIPIVLCGNKVDIKDRKVKAKSIVFHRKKNLQYYDISAKSNYNFEK -------110-------120-------130-------140-------150-------160-------170-------180-------190-------200 0-------170-------180-------190-------200-------210-------220 PFLWLARKLIGDPNLEFVAMPALAPPEVVMDPALAAQYEHDLEVAQTTALPDEDDDLEFEA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| PFLWLARKLIGDPNLEFVAMPALAPPEVVMDPALAAQYEHDLEVAQTTALPDEDDDLEFEA -------210-------220-------230-------240-------250-------260-
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 261 | 0 | 0 | 100.0 |
Content subtype: combined_25554_2n1b.nef
Assigned chemical shifts
-------------------------------------------------10--------20--------30--------40--------50--------6 MRGSHHHHHHGMASMTGGQQMGRDLYDDDDKDPSSRSAAGTMAAQGEPQVQFKLVLVGDGGTGKTTFVKRHLTGEFEKKYVATLGVEVHPLVFHTNRGPI |||||||||||||||||||||||||||||||||||||||| |||||||||||||||||| .........................................MAAQGEPQVQFKLVLVGDGGTGKTTFVKRHLTGEFEKKYV.TLGVEVHPLVFHTNRGPI -------------------------------------------------10--------20--------30--------40--------50--------6 0--------70--------80--------90-------100-------110-------120-------130-------140-------150-------16 KFNVWDTAGQEKFGGLRDGYYIQAQCAIIMFDVTSRVTYKNVPNWHRDLVRVCENIPIVLCGNKVDIKDRKVKAKSIVFHRKKNLQYYDISAKSNYNFEK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KFNVWDTAGQEKFGGLRDGYYIQAQCAIIMFDVTSRVTYKNVPNWHRDLVRVCENIPIVLCGNKVDIKDRKVKAKSIVFHRKKNLQYYDISAKSNYNFEK 0--------70--------80--------90-------100-------110-------120-------130-------140-------150-------16 0-------170-------180-------190-------200-------210-------220 PFLWLARKLIGDPNLEFVAMPALAPPEVVMDPALAAQYEHDLEVAQTTALPDEDDDLEFEA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||| PFLWLARKLIGDPNLEFVAMPALAPPEVVMDPALAAQYEHDLEVAQTTALPDEDDDL 0-------170-------180-------190-------200-------210------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
7 | PRO | N | 118.677 |
12 | LYS | HZ1 | 7.433 |
12 | LYS | HZ2 | 7.433 |
12 | LYS | HZ3 | 7.433 |
12 | LYS | NZ | 49.231 |
21 | THR | HG1 | 6.377 |
23 | LYS | HZ1 | 7.433 |
23 | LYS | HZ2 | 7.433 |
23 | LYS | HZ3 | 7.433 |
23 | LYS | NZ | 30.294 |
24 | THR | HG1 | 5.907 |
25 | THR | HG1 | 5.389 |
28 | LYS | HZ1 | 7.501 |
28 | LYS | HZ2 | 7.501 |
28 | LYS | HZ3 | 7.501 |
28 | LYS | NZ | 39.203 |
29 | ARG | HH11 | 6.69 |
29 | ARG | HH12 | 6.621 |
29 | ARG | HH21 | 6.768 |
29 | ARG | HH22 | 6.915 |
29 | ARG | CZ | 161.621 |
29 | ARG | NH1 | 79.392 |
29 | ARG | NH2 | 79.302 |
30 | HIS | HD1 | 10.269 |
30 | HIS | HE2 | 11.376 |
30 | HIS | ND1 | 194.294 |
30 | HIS | NE2 | 177.332 |
32 | THR | HG1 | 5.712 |
37 | LYS | HZ1 | 7.247 |
37 | LYS | HZ2 | 7.247 |
37 | LYS | HZ3 | 7.247 |
37 | LYS | NZ | 53.201 |
38 | LYS | HZ1 | 7.364 |
38 | LYS | HZ2 | 7.364 |
38 | LYS | HZ3 | 7.364 |
38 | LYS | NZ | 52.396 |
39 | TYR | HH | 9.193 |
39 | TYR | CZ | 155.174 |
42 | THR | HG1 | 5.311 |
48 | HIS | HD1 | 10.435 |
48 | HIS | HE2 | 11.298 |
48 | HIS | ND1 | 194.229 |
48 | HIS | NE2 | 178.938 |
49 | PRO | N | 123.193 |
53 | HIS | HD1 | 10.367 |
53 | HIS | HE2 | 11.083 |
53 | HIS | ND1 | 197.322 |
53 | HIS | NE2 | 177.382 |
54 | THR | HG1 | 5.594 |
56 | ARG | HH11 | 6.797 |
56 | ARG | HH12 | 6.758 |
56 | ARG | HH21 | 6.885 |
56 | ARG | HH22 | 6.983 |
56 | ARG | CZ | 161.914 |
56 | ARG | NH1 | 81.938 |
56 | ARG | NH2 | 81.229 |
58 | PRO | N | 114.56 |
60 | LYS | HZ1 | 7.531 |
60 | LYS | HZ2 | 7.531 |
60 | LYS | HZ3 | 7.531 |
60 | LYS | NZ | 48.294 |
64 | TRP | CD2 | 128.509 |
64 | TRP | CE2 | 139.058 |
66 | THR | HG1 | 6.015 |
71 | LYS | HZ1 | 7.511 |
71 | LYS | HZ2 | 7.511 |
71 | LYS | HZ3 | 7.511 |
71 | LYS | NZ | 49.002 |
76 | ARG | HH11 | 6.778 |
76 | ARG | HH12 | 6.748 |
76 | ARG | HH21 | 6.875 |
76 | ARG | HH22 | 6.905 |
76 | ARG | CZ | 159.57 |
76 | ARG | NH1 | 81.395 |
76 | ARG | NH2 | 79.394 |
79 | TYR | HH | 9.203 |
79 | TYR | CZ | 154.881 |
80 | TYR | HH | 9.213 |
80 | TYR | CZ | 155.467 |
84 | GLN | CD | 178.91 |
93 | THR | HG1 | 5.761 |
95 | ARG | HH11 | 6.748 |
95 | ARG | HH12 | 6.719 |
95 | ARG | HH21 | 6.827 |
95 | ARG | HH22 | 6.934 |
95 | ARG | CZ | 158.984 |
95 | ARG | NH1 | 77.483 |
95 | ARG | NH2 | 77.294 |
97 | THR | HG1 | 5.477 |
98 | TYR | HH | 9.193 |
98 | TYR | CZ | 154.295 |
99 | LYS | HZ1 | 7.73 |
99 | LYS | HZ2 | 7.73 |
99 | LYS | HZ3 | 7.73 |
99 | LYS | NZ | 42.443 |
102 | PRO | N | 117.084 |
105 | HIS | HD1 | 10.396 |
105 | HIS | HE2 | 11.112 |
105 | HIS | ND1 | 192.113 |
105 | HIS | NE2 | 179.221 |
106 | ARG | HH11 | 6.797 |
106 | ARG | HH12 | 6.729 |
106 | ARG | HH21 | 6.866 |
106 | ARG | HH22 | 6.905 |
106 | ARG | CZ | 159.863 |
106 | ARG | NH1 | 79.729 |
106 | ARG | NH2 | 79.294 |
110 | ARG | HH11 | 6.719 |
110 | ARG | HH12 | 6.748 |
110 | ARG | HH21 | 6.885 |
110 | ARG | HH22 | 6.827 |
110 | ARG | CZ | 158.984 |
110 | ARG | NH1 | 80.302 |
110 | ARG | NH2 | 80.394 |
116 | PRO | N | 117.548 |
123 | LYS | HZ1 | 7.306 |
123 | LYS | HZ2 | 7.306 |
123 | LYS | HZ3 | 7.306 |
123 | LYS | NZ | 49.293 |
127 | LYS | HZ1 | 7.511 |
127 | LYS | HZ2 | 7.511 |
127 | LYS | HZ3 | 7.511 |
127 | LYS | NZ | 47.334 |
129 | ARG | HH11 | 6.846 |
129 | ARG | HH12 | 6.797 |
129 | ARG | HH21 | 6.885 |
129 | ARG | HH22 | 6.905 |
129 | ARG | CZ | 162.793 |
129 | ARG | NH1 | 80.284 |
129 | ARG | NH2 | 80.393 |
130 | LYS | HZ1 | 7.668 |
130 | LYS | HZ2 | 7.668 |
130 | LYS | HZ3 | 7.668 |
130 | LYS | NZ | 42.394 |
132 | LYS | HZ1 | 7.228 |
132 | LYS | HZ2 | 7.228 |
132 | LYS | HZ3 | 7.228 |
132 | LYS | NZ | 49.592 |
134 | LYS | HZ1 | 7.404 |
134 | LYS | HZ2 | 7.404 |
134 | LYS | HZ3 | 7.404 |
134 | LYS | NZ | 49.302 |
139 | HIS | HD1 | 10.687 |
139 | HIS | HE2 | 11.493 |
139 | HIS | ND1 | 204.849 |
139 | HIS | NE2 | 189.303 |
140 | ARG | HH11 | 6.778 |
140 | ARG | HH12 | 6.739 |
140 | ARG | HH21 | 6.885 |
140 | ARG | HH22 | 6.963 |
140 | ARG | CZ | 160.742 |
140 | ARG | NH1 | 78.484 |
140 | ARG | NH2 | 78.393 |
141 | LYS | HZ1 | 7.306 |
141 | LYS | HZ2 | 7.306 |
141 | LYS | HZ3 | 7.306 |
141 | LYS | NZ | 49.238 |
142 | LYS | HZ1 | 7.355 |
142 | LYS | HZ2 | 7.355 |
142 | LYS | HZ3 | 7.355 |
142 | LYS | NZ | 49.223 |
146 | TYR | HH | 9.213 |
146 | TYR | CZ | 154.881 |
147 | TYR | HH | 9.291 |
147 | TYR | CZ | 154.588 |
152 | LYS | HZ1 | 7.462 |
152 | LYS | HZ2 | 7.462 |
152 | LYS | HZ3 | 7.462 |
152 | LYS | NZ | 49.22 |
155 | TYR | HH | 9.183 |
155 | TYR | CZ | 155.467 |
159 | LYS | HZ1 | 7.364 |
159 | LYS | HZ2 | 7.364 |
159 | LYS | HZ3 | 7.364 |
159 | LYS | NZ | 42.592 |
160 | PRO | N | 113.099 |
163 | TRP | CD2 | 128.509 |
163 | TRP | CE2 | 138.472 |
166 | ARG | HH11 | 6.797 |
166 | ARG | HH12 | 6.748 |
166 | ARG | HH21 | 6.875 |
166 | ARG | HH22 | 6.915 |
166 | ARG | CZ | 159.57 |
166 | ARG | NH1 | 77.827 |
166 | ARG | NH2 | 77.392 |
167 | LYS | HZ1 | 7.316 |
167 | LYS | HZ2 | 7.316 |
167 | LYS | HZ3 | 7.316 |
167 | LYS | NZ | 46.773 |
172 | PRO | N | 120.802 |
180 | PRO | N | 112.236 |
184 | PRO | N | 117.482 |
185 | PRO | N | 116.22 |
186 | GLU | CD | 178.91 |
191 | PRO | N | 121.4 |
196 | GLN | CD | 178.617 |
197 | TYR | HH | 9.222 |
197 | TYR | CZ | 156.346 |
199 | HIS | HD1 | 10.494 |
199 | HIS | HE2 | 11.181 |
199 | HIS | ND1 | 198.848 |
199 | HIS | NE2 | 182.872 |
206 | THR | HG1 | 5.956 |
207 | THR | HG1 | 5.986 |
210 | PRO | N | 113.896 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1579 | 1052 | 66.6 |
13C chemical shifts | 1190 | 850 | 71.4 |
15N chemical shifts | 284 | 233 | 82.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 529 | 231 | 43.7 |
13C chemical shifts | 522 | 421 | 80.7 |
15N chemical shifts | 248 | 203 | 81.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1050 | 821 | 78.2 |
13C chemical shifts | 668 | 429 | 64.2 |
15N chemical shifts | 36 | 30 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 144 | 124 | 86.1 |
13C chemical shifts | 144 | 126 | 87.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 138 | 117 | 84.8 |
13C chemical shifts | 135 | 109 | 80.7 |
15N chemical shifts | 3 | 3 | 100.0 |
Dihedral angle restraints
-------------------------------------------------10--------20--------30--------40--------50--------6 MRGSHHHHHHGMASMTGGQQMGRDLYDDDDKDPSSRSAAGTMAAQGEPQVQFKLVLVGDGGTGKTTFVKRHLTGEFEKKYVATLGVEVHPLVFHTNRGPI ||||||||||||||||||| ||||||||||||||||||||||| |||||||| ..............................................EPQVQFKLVLVGDGGTGKT..VKRHLTGEFEKKYVATLGVEVHP..FHTNRGPI -------------------------------------------------10--------20--------30--------40--------50--------6 0--------70--------80--------90-------100-------110-------120-------130-------140-------150-------16 KFNVWDTAGQEKFGGLRDGYYIQAQCAIIMFDVTSRVTYKNVPNWHRDLVRVCENIPIVLCGNKVDIKDRKVKAKSIVFHRKKNLQYYDISAKSNYNFEK |||||||| |||||||| |||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| KFNVWDTA..EKFGGLRD..YIQA.CAIIMFDVTSRVTYKNVPNWHRDLVRVCENIPIVLCGNKVDIKDRKVKAKSIVFHRKKNLQYYDISAKSNYNFEK 0--------70--------80--------90-------100-------110-------120-------130-------140-------150-------16 0-------170-------180-------190-------200-------210-------220 PFLWLARKLIGDPNLEFVAMPALAPPEVVMDPALAAQYEHDLEVAQTTALPDEDDDLEFEA |||||| ||||| ||| ||||||||||||||||||||||||||||||||||||||||||| PFLWLA.KLIGD.NLE.VAMPALAPPEVVMDPALAAQYEHDLEVAQTTALPDEDDDLEFE 0-------170-------180-------190-------200-------210---------