Pfu Rpp21 structure and assignments
MAKYNEKKEK KRIAKERIDI LFSLAERVFP YSPELAKRYV ELALLVQQKA KVKIPRKWKR RYCKKCHAFL VPGINARVRL RQKRMPHIVV KCLECGHIMR YPYIKEIKKR RKEKMEYGGL VPR
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | na | sing | 1:CYS63:SG | 2:ZN1:ZN |
2 | na | sing | 1:CYS66:SG | 2:ZN1:ZN |
3 | na | sing | 1:CYS92:SG | 2:ZN1:ZN |
4 | na | sing | 1:CYS95:SG | 2:ZN1:ZN |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 59.6 % (963 of 1615) | 55.8 % (486 of 871) | 63.5 % (395 of 622) | 67.2 % (82 of 122) |
Backbone | 65.7 % (476 of 724) | 66.7 % (162 of 243) | 64.7 % (236 of 365) | 67.2 % (78 of 116) |
Sidechain | 56.2 % (568 of 1010) | 51.6 % (324 of 628) | 63.8 % (240 of 376) | 66.7 % (4 of 6) |
Aromatic | 63.6 % (70 of 110) | 63.6 % (35 of 55) | 63.0 % (34 of 54) | 100.0 % (1 of 1) |
Methyl | 82.8 % (106 of 128) | 82.8 % (53 of 64) | 82.8 % (53 of 64) |
1. Rpp21
MAKYNEKKEK KRIAKERIDI LFSLAERVFP YSPELAKRYV ELALLVQQKA KVKIPRKWKR RYCKKCHAFL VPGINARVRL RQKRMPHIVV KCLECGHIMR YPYIKEIKKR RKEKMEYGGL VPRSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Pfu Rpp21-Rpp29
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | TRIS | [U-99% 2H] | 10 mM | |
9 | potassium chloride | natural abundance | 10 mM | |
10 | sodium azide | natural abundance | 0.02 % | |
11 | Rpp21 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
12 | ZINC chloride | natural abundance | 0.3 mM | |
13 | Rpp29 | natural abundance | 0.5 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | TRIS | [U-99% 2H] | 10 mM | |
17 | potassium chloride | natural abundance | 10 mM | |
18 | sodium azide | natural abundance | 0.02 % | |
19 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
20 | ZINC chloride | natural abundance | 0.3 mM | |
21 | H2O | natural abundance | 90 % | |
22 | D2O | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details cobalt-substituted Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
23 | TRIS | [U-99% 2H] | 10 mM | |
24 | potassium chloride | natural abundance | 10 mM | |
25 | sodium azide | natural abundance | 0.02 % | |
26 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
27 | cobalt chloride | natural abundance | 0.3 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl carbons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.101329 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl carbons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.101329 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl carbons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.101329 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl carbons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.101329 |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | TRIS | [U-99% 2H] | 10 mM | |
17 | potassium chloride | natural abundance | 10 mM | |
18 | sodium azide | natural abundance | 0.02 % | |
19 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
20 | ZINC chloride | natural abundance | 0.3 mM | |
21 | H2O | natural abundance | 90 % | |
22 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TRIS | [U-99% 2H] | 10 mM | |
2 | potassium chloride | natural abundance | 10 mM | |
3 | sodium azide | natural abundance | 0.02 % | |
4 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
5 | ZINC chloride | natural abundance | 0.3 mM | |
6 | H2O | natural abundance | 90 % | |
7 | D2O | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Pfu Rpp21-Rpp29
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | TRIS | [U-99% 2H] | 10 mM | |
9 | potassium chloride | natural abundance | 10 mM | |
10 | sodium azide | natural abundance | 0.02 % | |
11 | Rpp21 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
12 | ZINC chloride | natural abundance | 0.3 mM | |
13 | Rpp29 | natural abundance | 0.5 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Pfu Rpp21-Rpp29
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | TRIS | [U-99% 2H] | 10 mM | |
9 | potassium chloride | natural abundance | 10 mM | |
10 | sodium azide | natural abundance | 0.02 % | |
11 | Rpp21 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
12 | ZINC chloride | natural abundance | 0.3 mM | |
13 | Rpp29 | natural abundance | 0.5 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Pfu Rpp21-Rpp29
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | TRIS | [U-99% 2H] | 10 mM | |
9 | potassium chloride | natural abundance | 10 mM | |
10 | sodium azide | natural abundance | 0.02 % | |
11 | Rpp21 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
12 | ZINC chloride | natural abundance | 0.3 mM | |
13 | Rpp29 | natural abundance | 0.5 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Pfu Rpp21-Rpp29
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | TRIS | [U-99% 2H] | 10 mM | |
9 | potassium chloride | natural abundance | 10 mM | |
10 | sodium azide | natural abundance | 0.02 % | |
11 | Rpp21 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
12 | ZINC chloride | natural abundance | 0.3 mM | |
13 | Rpp29 | natural abundance | 0.5 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details Pfu Rpp21-Rpp29
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | TRIS | [U-99% 2H] | 10 mM | |
9 | potassium chloride | natural abundance | 10 mM | |
10 | sodium azide | natural abundance | 0.02 % | |
11 | Rpp21 | [U-100% 13C; U-100% 15N] | 0.5 mM | |
12 | ZINC chloride | natural abundance | 0.3 mM | |
13 | Rpp29 | natural abundance | 0.5 mM | |
14 | H2O | natural abundance | 90 % | |
15 | D2O | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details cobalt-substituted Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
23 | TRIS | [U-99% 2H] | 10 mM | |
24 | potassium chloride | natural abundance | 10 mM | |
25 | sodium azide | natural abundance | 0.02 % | |
26 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
27 | cobalt chloride | natural abundance | 0.3 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details cobalt-substituted Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
23 | TRIS | [U-99% 2H] | 10 mM | |
24 | potassium chloride | natural abundance | 10 mM | |
25 | sodium azide | natural abundance | 0.02 % | |
26 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
27 | cobalt chloride | natural abundance | 0.3 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details cobalt-substituted Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
23 | TRIS | [U-99% 2H] | 10 mM | |
24 | potassium chloride | natural abundance | 10 mM | |
25 | sodium azide | natural abundance | 0.02 % | |
26 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
27 | cobalt chloride | natural abundance | 0.3 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | 10 % |
Bruker DMX - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details cobalt-substituted Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
23 | TRIS | [U-99% 2H] | 10 mM | |
24 | potassium chloride | natural abundance | 10 mM | |
25 | sodium azide | natural abundance | 0.02 % | |
26 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
27 | cobalt chloride | natural abundance | 0.3 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | 10 % |
Bruker DRX - 800 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 323 K, pH 6.7, Details cobalt-substituted Rpp21
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
23 | TRIS | [U-99% 2H] | 10 mM | |
24 | potassium chloride | natural abundance | 10 mM | |
25 | sodium azide | natural abundance | 0.02 % | |
26 | Rpp21 | [U-100% 13C; U-100% 15N] | 1 mM | |
27 | cobalt chloride | natural abundance | 0.3 mM | |
28 | H2O | natural abundance | 90 % | |
29 | D2O | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_15776_2k3r.nef |
Input source #2: Coordindates | 2k3r.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) |
---|---|---|---|---|
1:63:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:66:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:92:CYS:SG | 2:1:ZN:ZN | unknown | unknown | n/a |
1:95:CYS:SG | 2:1: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 |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAKYNEKKEKKRIAKERIDILFSLAERVFPYSPELAKRYVELALLVQQKAKVKIPRKWKRRYCKKCHAFLVPGINARVRLRQKRMPHIVVKCLECGHIMR |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MAKYNEKKEKKRIAKERIDILFSLAERVFPYSPELAKRYVELALLVQQKAKVKIPRKWKRRYCKKCHAFLVPGINARVRLRQKRMPHIVVKCLECGHIMR -------110-------120--- YPYIKEIKKRRKEKMEYGGLVPR ||||||||||||||||||||||| YPYIKEIKKRRKEKMEYGGLVPR
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 123 | 0 | 0 | 100.0 |
Content subtype: combined_15776_2k3r.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAKYNEKKEKKRIAKERIDILFSLAERVFPYSPELAKRYVELALLVQQKAKVKIPRKWKRRYCKKCHAFLVPGINARVRLRQKRMPHIVVKCLECGHIMR ||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||| ||||||||||||||| .................IDILFSLAERVFPYSPELAKRYVELALLVQQKAKVKI..KWKRRYCKKCHAFLVPGINARVRLR....PHIVVKCLECGHIMR -------110-------120--- YPYIKEIKKRRKEKMEYGGLVPR | || Y....................PR
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 871 | 456 | 52.4 |
13C chemical shifts | 622 | 370 | 59.5 |
15N chemical shifts | 137 | 75 | 54.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 243 | 153 | 63.0 |
13C chemical shifts | 246 | 142 | 57.7 |
15N chemical shifts | 116 | 71 | 61.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 628 | 303 | 48.2 |
13C chemical shifts | 376 | 228 | 60.6 |
15N chemical shifts | 21 | 4 | 19.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 68 | 51 | 75.0 |
13C chemical shifts | 68 | 50 | 73.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 55 | 35 | 63.6 |
13C chemical shifts | 54 | 34 | 63.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MAKYNEKKEKKRIAKERIDILFSLAERVFPYSPELAKRYVELALLVQQKAKVKIPRKWKRRYCKKCHAFLVPGINARVRLRQKRMPHIVVKCLECGHIMR |||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||| ||||||||||||||| ................RIDILFSLAERVFPYSPELAKRYVELALLVQQKAKVKI..KWKRRYCKKCHAFLVPGINARVRLR....PHIVVKCLECGHIMR --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120--- YPYIKEIKKRRKEKMEYGGLVPR | | Y.Y ---