Solution structure of the ADD domain of ATRX complexed with histone tail H3 1-15 K9me3
GAMADKRGDG LHGIVSCTAC GQQVNHFQKD SIYRHPSLQV LICKNCFKYY MSDDISRDSD GMDEQCRWCA EGGNLICCDF CHNAFCKKCI LRNLGRKELS TIMDENNQWY CYICHPEPLL DLVTACNSVF ENLEQLLQQN KK
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | na | sing | 1:CYS66:SG | 3:ZN1:ZN |
2 | na | sing | 1:CYS89:SG | 3:ZN1:ZN |
3 | na | sing | 1:CYS86:SG | 3:ZN1:ZN |
4 | na | sing | 1:CYS69:SG | 3:ZN1:ZN |
5 | na | sing | 1:CYS17:SG | 3:ZN1:ZN |
6 | na | sing | 1:CYS81:SG | 3:ZN1:ZN |
7 | na | sing | 1:CYS111:SG | 3:ZN1:ZN |
8 | na | sing | 1:CYS46:SG | 3:ZN1:ZN |
9 | na | sing | 1:CYS20:SG | 3:ZN1:ZN |
10 | na | sing | 1:CYS78:SG | 3:ZN1:ZN |
11 | na | sing | 1:CYS43:SG | 3:ZN1:ZN |
12 | na | sing | 1:CYS114:SG | 3:ZN1:ZN |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 76.2 % (1369 of 1796) | 85.1 % (800 of 940) | 61.5 % (419 of 681) | 85.7 % (150 of 175) |
Backbone | 75.8 % (705 of 930) | 91.9 % (294 of 320) | 60.4 % (276 of 457) | 88.2 % (135 of 153) |
Sidechain | 77.7 % (786 of 1011) | 81.6 % (506 of 620) | 71.8 % (265 of 369) | 68.2 % (15 of 22) |
Aromatic | 100.0 % (134 of 134) | 100.0 % (67 of 67) | 100.0 % (65 of 65) | 100.0 % (2 of 2) |
Methyl | 94.0 % (126 of 134) | 97.0 % (65 of 67) | 91.0 % (61 of 67) |
1. ATRX ADD domain
GAMADKRGDG LHGIVSCTAC GQQVNHFQKD SIYRHPSLQV LICKNCFKYY MSDDISRDSD GMDEQCRWCA EGGNLICCDF CHNAFCKKCI LRNLGRKELS TIMDENNQWY CYICHPEPLL DLVTACNSVF ENLEQLLQQN KK2. H3 tail 1-15 K9me3
ARTKQTARXS TGGKASolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
10 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
11 | TRIS | [U-99% 2H] | 50 mM | |
12 | sodium chloride | natural abundance | 200 mM | |
13 | zinc sulfate | natural abundance | 150 uM | |
14 | DTT | [U-99% 2H] | 1 mM | |
15 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
10 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
11 | TRIS | [U-99% 2H] | 50 mM | |
12 | sodium chloride | natural abundance | 200 mM | |
13 | zinc sulfate | natural abundance | 150 uM | |
14 | DTT | [U-99% 2H] | 1 mM | |
15 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
10 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
11 | TRIS | [U-99% 2H] | 50 mM | |
12 | sodium chloride | natural abundance | 200 mM | |
13 | zinc sulfate | natural abundance | 150 uM | |
14 | DTT | [U-99% 2H] | 1 mM | |
15 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 mM | |
7 | H2O | natural abundance | 95 % | |
8 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
10 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
11 | TRIS | [U-99% 2H] | 50 mM | |
12 | sodium chloride | natural abundance | 200 mM | |
13 | zinc sulfate | natural abundance | 150 uM | |
14 | DTT | [U-99% 2H] | 1 mM | |
15 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
10 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
11 | TRIS | [U-99% 2H] | 50 mM | |
12 | sodium chloride | natural abundance | 200 mM | |
13 | zinc sulfate | natural abundance | 150 uM | |
14 | DTT | [U-99% 2H] | 1 mM | |
15 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
10 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
11 | TRIS | [U-99% 2H] | 50 mM | |
12 | sodium chloride | natural abundance | 200 mM | |
13 | zinc sulfate | natural abundance | 150 uM | |
14 | DTT | [U-99% 2H] | 1 mM | |
15 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
10 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
11 | TRIS | [U-99% 2H] | 50 mM | |
12 | sodium chloride | natural abundance | 200 mM | |
13 | zinc sulfate | natural abundance | 150 uM | |
14 | DTT | [U-99% 2H] | 1 mM | |
15 | D2O | natural abundance | 100 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ATRX ADD domain | [U-98% 13C; U-98% 15N] | 200 uM | |
2 | H3 tail 1-15 K9me3 | natural abundance | 200 uM | |
3 | TRIS | [U-99% 2H] | 50 mM | |
4 | sodium chloride | natural abundance | 200 mM | |
5 | zinc sulfate | natural abundance | 150 uM | |
6 | DTT | [U-99% 2H] | 1 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_17569_2lbm.nef |
Input source #2: Coordindates | 2lbm.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 | True (see coodinates for details) |
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)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
2:8:ARG:C | 2:9:M3L:N | unknown | unknown | n/a |
2:9:M3L:C | 2:10:SER:N | unknown | unknown | n/a |
1:66:CYS:SG | 3:2:ZN:ZN | unknown | unknown | n/a |
1:89:CYS:SG | 3:2:ZN:ZN | unknown | unknown | n/a |
1:86:CYS:SG | 3:2:ZN:ZN | unknown | unknown | n/a |
1:69:CYS:SG | 3:2:ZN:ZN | unknown | unknown | n/a |
1:17:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:81:CYS:SG | 3:3:ZN:ZN | unknown | unknown | n/a |
1:111:CYS:SG | 3:3:ZN:ZN | unknown | unknown | n/a |
1:46:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:20:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:78:CYS:SG | 3:3:ZN:ZN | unknown | unknown | n/a |
1:43:CYS:SG | 3:1:ZN:ZN | unknown | unknown | n/a |
1:114:CYS:SG | 3:3:ZN:ZN | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | ZN | ZINC ION | None |
B | 2 | ZN | ZINC ION | None |
B | 3 | ZN | ZINC ION | None |
C | 9 | M3L | N-TRIMETHYLLYSINE | Assigned chemical shifts, Distance restraints, Coordinates |
Sequence alignments
---160-------170-------180-------190-------200-------210-------220-------230-------240-------250---- GAMADKRGDGLHGIVSCTACGQQVNHFQKDSIYRHPSLQVLICKNCFKYYMSDDISRDSDGMDEQCRWCAEGGNLICCDFCHNAFCKKCILRNLGRKELS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMADKRGDGLHGIVSCTACGQQVNHFQKDSIYRHPSLQVLICKNCFKYYMSDDISRDSDGMDEQCRWCAEGGNLICCDFCHNAFCKKCILRNLGRKELS --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ---260-------270-------280-------290------ TIMDENNQWYCYICHPEPLLDLVTACNSVFENLEQLLQQNKK |||||||||||||||||||||||||||||||||||||||||| TIMDENNQWYCYICHPEPLLDLVTACNSVFENLEQLLQQNKK -------110-------120-------130-------140--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 142 | 0 | 0 | 100.0 |
C | C | 15 | 0 | 0 | 100.0 |
Content subtype: combined_17569_2lbm.nef
Assigned chemical shifts
---160-------170-------180-------190-------200-------210-------220-------230-------240-------250---- GAMADKRGDGLHGIVSCTACGQQVNHFQKDSIYRHPSLQVLICKNCFKYYMSDDISRDSDGMDEQCRWCAEGGNLICCDFCHNAFCKKCILRNLGRKELS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .AMADKRGDGLHGIVSCTACGQQVNHFQKDSIYRHPSLQVLICKNCFKYYMSDDISRDSDGMDEQCRWCAEGGNLICCDFCHNAFCKKCILRNLGRKELS ---260-------270-------280-------290------ TIMDENNQWYCYICHPEPLLDLVTACNSVFENLEQLLQQNKK |||||||||||||||||||||||||||||||||||||||||| TIMDENNQWYCYICHPEPLLDLVTACNSVFENLEQLLQQNKK
--------10----- ARTKQTARXSTGGKA ||||||||| ARTKQTARX ---------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
170 | SER | HG | 5.214 |
266 | TYR | HH | 11.037 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 863 | 752 | 87.1 |
13C chemical shifts | 627 | 393 | 62.7 |
15N chemical shifts | 166 | 148 | 89.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 290 | 280 | 96.6 |
13C chemical shifts | 284 | 136 | 47.9 |
15N chemical shifts | 139 | 133 | 95.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 573 | 472 | 82.4 |
13C chemical shifts | 343 | 257 | 74.9 |
15N chemical shifts | 27 | 15 | 55.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 65 | 100.0 |
13C chemical shifts | 65 | 65 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 67 | 67 | 100.0 |
13C chemical shifts | 65 | 65 | 100.0 |
15N chemical shifts | 2 | 2 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 90 | 53 | 58.9 |
13C chemical shifts | 54 | 0 | 0.0 |
15N chemical shifts | 17 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 32 | 16 | 50.0 |
13C chemical shifts | 28 | 0 | 0.0 |
15N chemical shifts | 14 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 58 | 37 | 63.8 |
13C chemical shifts | 26 | 0 | 0.0 |
15N chemical shifts | 3 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 9 | 7 | 77.8 |
13C chemical shifts | 9 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Covalent bonds
Distance restraints
---160-------170-------180-------190-------200-------210-------220-------230-------240-------250---- GAMADKRGDGLHGIVSCTACGQQVNHFQKDSIYRHPSLQVLICKNCFKYYMSDDISRDSDGMDEQCRWCAEGGNLICCDFCHNAFCKKCILRNLGRKELS |||||| ||||||||||||||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .AMADKR.DGLHGIVSCTACGQQVN.FQKDSIYRHPSLQVLICKNCFKYYMSDDISRDSDGMDEQCRWCAEGGNLICCDFCHNAFCKKCILRNLGRKELS ---260-------270-------280-------290------ TIMDENNQWYCYICHPEPLLDLVTACNSVFENLEQLLQQNKK |||||||||||||||||||||||||||||||||||||||||| TIMDENNQWYCYICHPEPLLDLVTACNSVFENLEQLLQQNKK
Dihedral angle restraints