1H, 13C and 15N NMR sequence-specific resonance assignments for bovine apo-S100A1(aa) in oxidized form
MGSELETAME TLINVFHAHS GKEGDKYKLS KKELKELLQT ELSGFLDAQK DADAVDKVMK ELDEDGDGEV DFQEYVVLVA ALTVACNNFF WENS
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS86:SG | 1:CYS86:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 83.7 % (904 of 1080) | 82.6 % (459 of 556) | 84.4 % (356 of 422) | 87.3 % (89 of 102) |
Backbone | 95.7 % (540 of 564) | 95.4 % (185 of 194) | 96.4 % (266 of 276) | 94.7 % (89 of 94) |
Sidechain | 74.0 % (447 of 604) | 75.7 % (274 of 362) | 73.9 % (173 of 234) | 0.0 % (0 of 8) |
Aromatic | 0.0 % (0 of 86) | 0.0 % (0 of 43) | 0.0 % (0 of 42) | 0.0 % (0 of 1) |
Methyl | 92.3 % (96 of 104) | 98.1 % (51 of 52) | 86.5 % (45 of 52) |
1. bovine S100A1(aa)
MGSELETAME TLINVFHAHS GKEGDKYKLS KKELKELLQT ELSGFLDAQK DADAVDKVMK ELDEDGDGEV DFQEYVVLVA ALTVACNNFF WENSTemperature 308 (±1.0) K, pH 6.3 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | bovine S100A1(aa) | [U-98% 13C; U-98% 15N] | 1.2 mM |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 48.4 % (1045 of 2160) | 48.1 % (535 of 1112) | 48.2 % (407 of 844) | 50.5 % (103 of 204) |
Backbone | 55.6 % (627 of 1128) | 56.4 % (219 of 388) | 55.3 % (305 of 552) | 54.8 % (103 of 188) |
Sidechain | 42.5 % (514 of 1208) | 43.8 % (317 of 724) | 42.1 % (197 of 468) | 0.0 % (0 of 16) |
Aromatic | 2.3 % (4 of 172) | 2.3 % (2 of 86) | 2.4 % (2 of 84) | 0.0 % (0 of 2) |
Methyl | 52.9 % (110 of 208) | 57.7 % (60 of 104) | 48.1 % (50 of 104) |
1. bovine S100A1(aa)
MGSELETAME TLINVFHAHS GKEGDKYKLS KKELKELLQT ELSGFLDAQK DADAVDKVMK ELDEDGDGEV DFQEYVVLVA ALTVACNNFF WENSTemperature 308 (±1.0) K, pH 6.3 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | bovine S100A1(aa) | [U-98% 13C; U-98% 15N] | 1.2 mM |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 36.5 % (1183 of 3240) | 35.7 % (596 of 1668) | 37.0 % (468 of 1266) | 38.9 % (119 of 306) |
Backbone | 42.3 % (715 of 1692) | 42.1 % (245 of 582) | 42.4 % (351 of 828) | 42.2 % (119 of 282) |
Sidechain | 31.9 % (578 of 1812) | 32.4 % (352 of 1086) | 32.2 % (226 of 702) | 0.0 % (0 of 24) |
Aromatic | 1.6 % (4 of 258) | 1.6 % (2 of 129) | 1.6 % (2 of 126) | 0.0 % (0 of 3) |
Methyl | 42.3 % (132 of 312) | 45.5 % (71 of 156) | 39.1 % (61 of 156) |
1. bovine S100A1(aa)
MGSELETAME TLINVFHAHS GKEGDKYKLS KKELKELLQT ELSGFLDAQK DADAVDKVMK ELDEDGDGEV DFQEYVVLVA ALTVACNNFF WENSTemperature 308 (±1.0) K, pH 6.3 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | bovine S100A1(aa) | [U-98% 13C; U-98% 15N] | 1.2 mM |