NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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577896 |
2mmt   |
19865 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
?# DYANA Upper Limit File for molecule named: rgdf3edit.upl # created on April 30 2012; # based on NOESY 100 ms in CD3OH at 298 K # Manual calibration using Gly germinal protons (1.78 A) # Atom names according to the convention of cyana.lib # Manual Input for proper geometry # of side-chain/backbone peptide bond 1 GLY N 8 GLU CD 1.33 1 GLY N 8 GLU OE1 2.26 1 GLY N 8 GLU CG 2.41 1 GLY H 8 GLU CD 2.06 1 GLY CA 8 GLU CD 2.42 1 GLY H 1 GLY CA 2.09 1 GLY CA 8 GLU OE1 2.78 1 GLY H 8 GLU OE1 3.17 # END Manual Input # Long-Range NOEs Sorted 1 GLY H 8 GLU HB2 3.61 #peak 136 1 GLY H 8 GLU HB3 3.52 #peak 263 1 GLY H 8 GLU HG2 2.80 #peak 247 1 GLY H 8 GLU HG3 3.17 #peak 248 1 GLY H 18 SER HB2 3.92 #peak 294 1 GLY H 18 SER HB3 3.70 #peak 295 2 GLY H 18 SER HB3 3.64 #peak 161 2 GLY H 19 PHE H 2.71 #peak 106 4 GLY H 19 PHE HB2 2.86 #peak 140 4 GLY HA3 19 PHE HB2 2.77 #peak 224 6 VAL H 19 PHE HB2 2.83 #peak 165 6 VAL H 20 TYR H 2.68 #peak 112 6 VAL H 20 TYR HB3 4.42 #peak 114 6 VAL HB 20 TYR H 4.32 #peak 99 7 PRO HG2 10 PHE QE 3.51 #peak 275 7 PRO HA 19 PHE HA 2.43 #peak 188 7 PRO HA 19 PHE QD 4.30 #peak 156 7 PRO HA 20 TYR H 4.30 #peak 94 8 GLU H 19 PHE HA 2.49 #peak 122 8 GLU HG2 19 PHE HA 3.08 #peak 232 8 GLU HG3 19 PHE HA 3.55 #peak 234 8 GLU HA 20 TYR QD 3.92 #peak 292 8 GLU HA 20 TYR QE 4.30 #peak 291 8 GLU HB3 20 TYR QD 3.86 #peak 149 8 GLU HG3 20 TYR QD 3.99 #peak 273 10 PHE HA 16 PRO HA 3.20 #peak 325 10 PHE HE2 16 PRO HG3 3.50 #peak 326 # END Long-Range NOEs 1 GLY H 1 GLY HA2 2.68 #peak 178 1 GLY H 1 GLY HA3 2.99 #peak 61 1 GLY HA2 1 GLY HA3 2.40 #peak 197 1 GLY H 2 GLY H 2.83 #peak 143 1 GLY HA2 2 GLY H 3.83 #peak 107 2 GLY H 2 GLY HA2 2.86 #peak 45 2 GLY H 2 GLY HA3 2.90 #peak 4 2 GLY HA2 2 GLY HA3 2.40 #peak 301 2 GLY HA2 3 ALA H 3.20 #peak 172 2 GLY HA3 3 ALA H 2.53 #peak 171 3 ALA H 3 ALA HA 3.08 #peak 14 3 ALA H 3 ALA QB 3.82 #peak 15 3 ALA HA 4 GLY H 2.43 #peak 141 3 ALA QB 4 GLY H 4.41 #peak 137 4 GLY H 4 GLY HA2 2.74 #peak 65 4 GLY H 4 GLY HA3 3.80 #peak 64 4 GLY HA3 4 GLY HA2 2.40 #peak 303 4 GLY HA2 5 HIS H 2.80 #peak 146 4 GLY HA3 5 HIS H 2.40 #peak 147 5 HIS H 5 HIS HA 2.80 #peak 77 5 HIS H 5 HIS HB2 2.55 #peak 79 5 HIS H 5 HIS HB3 3.21 #peak 78 5 HIS HA 5 HIS HB3 3.83 #peak 307 5 HIS HA 5 HIS HD2 4.88 #peak 283 5 HIS HE1 5 HIS HD2 2.40 #peak 284 6 VAL H 6 VAL HA 3.20 #peak 10 6 VAL H 6 VAL HB 2.68 #peak 251 6 VAL H 6 VAL QG2 4.32 #peak 12 6 VAL HA 6 VAL HB 3.55 #peak 207 6 VAL HA 6 VAL QG1 4.04 #peak 255 6 VAL HA 6 VAL QG2 4.26 #peak 256 6 VAL QG1 6 VAL HB 3.42 #peak 213 6 VAL HA 7 PRO HD2 2.62 #peak 304 6 VAL HA 7 PRO HD3 2.40 #peak 305 6 VAL QG1 7 PRO HB2 3.51 #peak 262 7 PRO HA 8 GLU H 2.40 #peak 174 8 GLU H 8 GLU HA 3.20 #peak 37 8 GLU H 8 GLU HB2 2.83 #peak 57 8 GLU H 8 GLU HB3 3.02 #peak 56 8 GLU H 8 GLU HG2 2.96 #peak 54 8 GLU H 8 GLU HG3 2.93 #peak 30 8 GLU HA 8 GLU HB2 2.59 #peak 225 8 GLU HA 8 GLU HB3 2.65 #peak 226 8 GLU HA 8 GLU HG2 3.39 #peak 318 8 GLU HA 8 GLU HG3 2.65 #peak 319 8 GLU H 9 TYR H 3.00 #peak 264 8 GLU HA 9 TYR H 2.77 #peak 145 9 TYR H 9 TYR HA 3.50 #peak 80 9 TYR H 9 TYR HB2 3.60 #peak 81 9 TYR H 9 TYR HB3 3.20 #peak 245 9 TYR HA 9 TYR HB3 3.73 #peak 227 9 TYR HA 10 PHE H 2.40 #peak 131 9 TYR HB3 10 PHE H 3.45 #peak 266 10 PHE H 10 PHE HA 2.99 #peak 60 10 PHE H 10 PHE HB2 3.00 #peak 36 10 PHE H 10 PHE HB3 3.80 #peak 50 10 PHE HA 10 PHE HB3 3.52 #peak 229 10 PHE HA 11 VAL H 2.40 #peak 126 11 VAL H 11 VAL HA 3.48 #peak 40 11 VAL H 11 VAL HB 3.32 #peak 250 11 VAL HA 11 VAL HB 3.20 #peak 198 11 VAL HA 12 ARG H 2.60 #peak 173 11 VAL HB 12 ARG H 3.20 #peak 119 12 ARG H 12 ARG HA 2.80 #peak 18 12 ARG H 12 ARG HB2 2.96 #peak 20 12 ARG H 12 ARG HB3 3.21 #peak 19 12 ARG H 12 ARG HG2 4.63 #peak 22 12 ARG H 12 ARG HG3 3.92 #peak 21 12 ARG HA 12 ARG HB2 3.02 #peak 205 12 ARG HA 13 GLY H 2.40 #peak 289 13 GLY H 13 GLY HA2 3.00 #peak 16 13 GLY H 13 GLY HA3 3.50 #peak 169 13 GLY HA2 13 GLY HA3 2.40 #peak 196 13 GLY HA2 14 ASP H 2.99 #peak 125 13 GLY HA3 14 ASP H 2.59 #peak 124 14 ASP H 14 ASP HA 2.93 #peak 38 14 ASP H 14 ASP HB2 3.80 #peak 31 14 ASP H 14 ASP HB3 3.00 #peak 53 14 ASP HA 14 ASP HB2 2.55 #peak 228 14 ASP HA 15 PHE H 3.00 #peak 127 14 ASP HB2 15 PHE H 3.33 #peak 128 14 ASP HB3 15 PHE H 3.60 #peak 129 15 PHE H 15 PHE HA 3.05 #peak 39 15 PHE H 15 PHE HB2 2.52 #peak 49 15 PHE H 15 PHE HB3 3.21 #peak 48 15 PHE HA 16 PRO HD2 2.46 #peak 306 15 PHE HA 16 PRO HD3 2.40 #peak 189 16 PRO HA 17 ILE H 2.40 #peak 144 16 PRO HB2 17 ILE H 3.79 #peak 138 16 PRO HG2 17 ILE H 4.44 #peak 139 17 ILE H 17 ILE HA 3.17 #peak 63 17 ILE H 17 ILE HB 2.83 #peak 246 17 ILE H 18 SER H 2.62 #peak 142 18 SER H 18 SER HA 2.40 #peak 183 18 SER H 18 SER HB2 3.45 #peak 72 18 SER H 18 SER HB3 2.83 #peak 296 18 SER HA 18 SER HB2 2.71 #peak 91 18 SER HA 18 SER HB3 2.49 #peak 92 18 SER HA 19 PHE H 2.43 #peak 110 18 SER HA 19 PHE QD 3.58 #peak 155 18 SER HB2 19 PHE H 3.08 #peak 108 18 SER HB3 19 PHE H 2.43 #peak 109 19 PHE H 19 PHE HA 3.17 #peak 6 19 PHE H 19 PHE HB2 2.77 #peak 7 19 PHE H 19 PHE HB3 2.77 #peak 47 19 PHE HA 19 PHE HB2 2.40 #peak 233 19 PHE HA 20 TYR H 2.40 #peak 160 19 PHE HB2 20 TYR H 2.49 #peak 254 19 PHE HB3 20 TYR H 2.68 #peak 270 20 TYR H 20 TYR HA 2.80 #peak 1 20 TYR H 20 TYR HB2 3.17 #peak 97 20 TYR H 20 TYR HB3 3.25 #peak 96 20 TYR H 20 TYR QD 3.74 #peak 101 20 TYR HA 20 TYR HB2 2.80 #peak 230 20 TYR HA 20 TYR HB3 3.05 #peak 231 20 TYR HA 21 GLY H 2.40 #peak 115 20 TYR HB2 21 GLY H 2.68 #peak 116 20 TYR HB3 21 GLY H 2.86 #peak 297 21 GLY H 21 GLY HA3 2.80 #peak 167
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