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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563764 |
2m9i   |
19295 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
# SEA005 6-residue-turn without GlcNAc # intra-residue distance restraints # HA/H # 6 TRP HA 6 TRP H 3.27 # 93 0.2007 # 7 GLU HA 7 GLU H 3.23 # 130 0.2177 # 8 LYS HA 8 LYS H 3.20 # 123 0.2297 # 10 MET HA 10 MET H 3.59 # 104 0.1185 slight ol # 17 VAL HA 17 VAL H 3.29 # 118 0.1937 # 18 TYR HA 18 TYR H 3.33 # 119 0.1808 # 19 TYR HA 19 TYR H 3.48 # 124 0.1415 # 20 PHE HA 20 PHE H 3.81 # 125 0.0844 # 23 ILE HA 23 ILE H 2.93 # 113 0.3852 # 26 ALA HA 26 ALA H 3.16 # 90 0.2452 # 31 ARG HA 31 ARG H 3.22 # 295 0.2221 # 33 SER HA 33 SER H 2.97 # 110 0.3572 # HB/H 8 LYS HB2 8 LYS H 4.00 # 157 0.3899 8 LYS HB3 8 LYS H 4.00 # 158 0.5224 9 ARG QB 9 ARG H 5.00 # 141,142 0.1547 2 protons 11 PHE HB2 11 PHE H 4.00 # 216 0.1313 11 PHE HB3 11 PHE H 4.00 # 217 0.2910 14 ASN HB2 14 ASN H 4.00 # 236 0.1025 14 ASN HB3 14 ASN H 4.27 # 237 0.0465 17 VAL HB 17 VAL H 3.00 # 174 0.4836 18 TYR HB2 18 TYR H 5.00 # 186 0.0523 18 TYR HB3 18 TYR H 4.00 # 187 0.1075 20 PHE HB3 20 PHE H 4.00 # 182 0.1882 20 PHE HB2 20 PHE H 4.00 # 183 0.2380 23 ILE HB 23 ILE H 3.00 # 172 0.6863 24 THR HB 24 THR H 4.00 # 233 0.1115 25 ASN HB2 25 ASN H 4.00 # 198 0.2024 25 ASN HB3 25 ASN H 4.50 # 199 0.2024 30 GLU HB2 30 GLU H 4.00 # 159 0.3498 30 GLU HB3 30 GLU H 4.00 # 160 0.4063 31 ARG QB 31 ARG H 4.00 # 147,148 1.1234 2 protons # HB/HA 6 TRP HB2 6 TRP HA 4.00 # 279 0.3157 slight ol 6 TRP HB3 6 TRP HA 4.00 # 280 0.3086 8 LYS HB2 8 LYS HA 4.00 # 253 0.3675 8 LYS HB3 8 LYS HA 4.00 # 254 0.4478 slight ol 11 PHE HB2 11 PHE HA 4.00 # 283 0.2038 11 PHE HB3 11 PHE HA 4.00 # 284 0.2489 17 VAL HB 17 VAL HA 4.00 # 261 0.3455 19 TYR HB2 19 TYR HA 4.00 # 271 0.2956 19 TYR HB3 19 TYR HA 4.00 # 272 0.4036 21 ASN HB2 21 ASN HA 4.00 # 246 0.2312 21 ASN HB3 21 ASN HA 4.00 # 247 0.2186 slight ol 22 HIS HB3 22 HIS HA 3.00 # 281 0.6755 slight ol 22 HIS HB2 22 HIS HA 3.00 # 282 0.8230 slight ol 24 THR HB 24 THR HA 3.00 # 291 1.0359 25 ASN HB2 25 ASN HA 3.00 # 275 0.5342 25 ASN HB3 25 ASN HA 3.00 # 276 0.6943 29 PHE HB2 29 PHE HA 3.00 # 277 0.9334 slight ol 29 PHE HB3 29 PHE HA 3.00 # 278 0.5268 30 GLU HB2 30 GLU HA 3.00 # 255 0.7255 slight ol 30 GLU HB3 30 GLU HA 3.00 # 256 0.6068 slight ol 33 SER HB2 33 SER HA 4.00 # 285 0.5672 33 SER HB3 33 SER HA 4.00 # 286 0.5073 # others 6 TRP HZ3 6 TRP HA 5.00 # 459 0.0719 6 TRP HD1 6 TRP HA 5.00 # 460 0.0462 16 THR QG2 16 THR H 5.00 # 372 0.1692 18 TYR QD 18 TYR H 4.00 # 517 0.2801 19 TYR QD 19 TYR H 4.00 # 528 0.5456 20 PHE QD 20 PHE HA 4.00 # 458 0.4163 20 PHE QD 20 PHE H 5.00 # 459,538 0.0978 24 THR QG2 24 THR H 4.00 # 344 0.6218 29 PHE QD 29 PHE H 4.00 # 502 0.1367 # sequential distance restraints # H/H: values of both cross peaks were mediated 5 GLY H 6 TRP H 4.00 # 59,60 0.1712 calibration peak 7 GLU H 8 LYS H 5.00 # 28,29 0.0502 calibration peak 8 LYS H 9 ARG H 5.00 # 22 0.1573 calibration peak 9 ARG H 10 MET H 5.00 # 19,25 0.0769 calibration peak 14 ASN H 15 GLY H 4.00 # 85,86 0.1461 15 GLY H 16 THR H 4.00 # 61,62 0.2536 16 THR H 17 VAL H 4.50 # 63,64 0.0807 18 TYR H 19 TYR H 4.50 # 26 0.0415 calibration peak 20 PHE H 21 ASN H 5.00 # 20,24 0.0325 calibration peak 22 HIS H 23 ILE H 4.00 # 77,78 0.3325 23 ILE H 24 THR H 3.00 # 57,58 0.5562 24 THR H 25 ASN H 3.00 # 55,56 0.6130 25 ASN H 26 ALA H 4.00 # 71 0.4227 29 PHE H 30 GLU H 4.00 # 84 0.1733 30 GLU H 31 ARG H 5.00 # 82 0.0823 33 SER H 34 GLY H 4.00 # 67,68 0.2055 # HA/H 6 TRP HA 7 GLU H 3.00 # 17 0.6987 calibration peak 7 GLU HA 8 LYS H 3.00 # 12 1.0004 calibration peak 9 ARG HA 10 MET H 3.00 # 7 1.0000 calibration peak 14 ASN HA 15 GLY H 4.00 # 115 0.2369 15 GLY HA2 16 THR H 4.00 # 99 0.2557 15 GLY HA3 16 THR H 4.00 # 100 0.3303 17 VAL HA 18 TYR H 3.00 # 11 0.8532 calibration peak 20 PHE HA 21 ASN H 4.00 # 9 0.4261 calibration peak 21 ASN HA 22 HIS H 3.00 # 8 0.7429 calibration peak # 23 ILE HA 22 HIS H 5.00 # 108 0.0328 23 ILE HA 24 THR H 4.00 # 94 0.1389 25 ASN HA 26 ALA H 4.00 # 89 0.2866 26 ALA HA 27 SER H 3.00 # 10 0.9694 calibration peak 27 SER HA 28 GLN H 4.00 # 16 0.2299 calibration peak 28 GLN HA 29 PHE H 4.00 # 13 0.2154 calibration peak 30 GLU HA 31 ARG H 3.00 # 117 1.2795 slight ol 32 PRO HA 33 SER H 3.00 # 109 0.8672 # HA/HA # 3 PRO HA 4 PRO HA 3.23 # 294 0.2171 # 26 ALA HA 27 SER HA 3.81 # 133 0.0844 # 27 SER HA 28 GLN HA 4.41 # 134 0.0393 # 30 GLU HA 31 ARG HA 3.82 # 131 0.0835 slight ol # 32 PRO HA 33 SER HA 3.86 # 132 0.0789 # HB/H 4 PRO HB2 5 GLY H 4.00 # 169 0.1562 4 PRO HB3 5 GLY H 4.00 # 170 0.1800 6 TRP HB2 7 GLU H 4.50 # 206 0.2326 6 TRP HB3 7 GLU H 4.00 # 207 0.1212 8 LYS HB2 9 ARG H 4.00 # 153 0.1435 8 LYS HB3 9 ARG H 4.50 # 154 0.1910 17 VAL HB 18 TYR H 4.00 # 173 0.2710 19 TYR HB2 20 PHE H 4.00 # 188 0.1194 HF cross peak 19 TYR HB3 20 PHE H 4.00 # 189 0.2074 HF cross peak 20 PHE HB3 21 ASN H 5.00 # 180 0.0539 HF cross peak 20 PHE HB2 21 ASN H 4.50 # 181 0.1412 HF cross peak 23 ILE HB 24 THR H 3.00 # 171 0.5820 24 THR HB 25 ASN H 4.00 # 235 0.1098 25 ASN HB2 26 ALA H 5.00 # 194 0.0728 25 ASN HB3 26 ALA H 5.00 # 195 0.0556 # 26 ALA QB 25 ASN H 5.00 # 241 0.1576 26 ALA QB 27 SER H 5.00 # 245 0.4380 30 GLU HB2 31 ARG H 4.00 # 161 0.2698 HF cross peak 30 GLU HB3 31 ARG H 4.50 # 162 0.2629 HF cross peak 32 PRO HB3 33 SER H 4.00 # 145 0.1358 32 PRO HB2 33 SER H 4.00 # 146 0.1900 # HB/HA # 20 PHE HB2 19 TYR HA 3.61 # 402 0.1141 # 21 ASN HB2 20 PHE HA 4.00 # 299 0.0648 # 26 ALA QB 27 SER HA 5.23 # 356 0.0487 # 28 GLN QB 27 SER HA 5.20 # 388 0.0506 2 protons # 32 PRO HB3 31 ARG HA 3.37 # 315 0.1704 # SC/SC # 2 LEU HB23 3 PRO HD3 3.21 # 359 0.2262 # 16 THR QG2 17 VAL HB 4.07 # 360 0.2897 # 22 HIS HD2 23 ILE QG2 5.69 # 342 0.0294 # 22 HIS HD2 23 ILE QD1 4.48 # 341,475 0.1414 # 23 ILE HB 24 THR QG2 3.66 # 343 0.6867 # 31 ARG HG2 32 PRO HD3 3.28 # 382 0.1994 # 31 ARG HG3 32 PRO HD3 3.19 # 383 0.2320 # 31 ARG HG2 32 PRO HD2 3.70 # 384 0.0999 # 31 ARG HG3 32 PRO HD2 3.62 # 385 0.1132 # others # 6 TRP HZ3 7 GLU H 5.60 # 541 0.1271 7 GLU HB2 8 LYS H 4.50 # 387 0.3498 7 GLU HG2 8 LYS H 4.00 # 396 0.1610 7 GLU HG3 8 LYS H 4.50 # 397 0.1199 8 LYS HG2 9 ARG H 4.00 # 349 0.1611 10 MET HG2 11 PHE H 4.00 # 394 0.1219 10 MET HG3 11 PHE H 4.00 # 395 0.1263 16 THR QG2 17 VAL HA 5.00 # 365 0.0648 17 VAL QG1 18 TYR H 5.00 # 345 0.2481 17 VAL QG2 18 TYR H 5.00 # 346 0.3407 18 TYR QD 17 VAL HA 4.00 # 429 0.2007 18 TYR QD 19 TYR H 4.00 # 527 0.3142 19 TYR QD 20 PHE H 4.50 # 537 0.1193 # 22 HIS HD2 23 ILE HA 6.00 # 478 0.0597 24 THR QG2 25 ASN H 5.00 # 347 0.1739 24 THR QG2 23 ILE H 5.00 # 348 0.2771 32 PRO HB3 33 SER H 4.00 # 143 0.1278 32 PRO HB2 33 SER H 4.00 # 144 0.1554 # long-range distances on turn side # BB/BB 9 ARG H 19 TYR HA 4.00 # 36 0.1590 9 ARG H 18 TYR H 4.00 # 46,47 0.2057 9 ARG H 20 PHE H 4.50 # 28,29 0.0502 10 MET HA 18 TYR H 4.00 # 120 0.2082 11 PHE H 16 THR H 5.00 # 66 0.0296 11 PHE H 18 TYR H 5.00 # 87,519 0.0733 # SC/BB 8 LYS HG2 18 TYR H 4.00 # 335 0.0897 9 ARG QB 18 TYR H 6.00 # 516 0.0273 2 protons 10 MET HG2 15 GLY HA2 3.00 # 389 0.0746 10 MET HG2 15 GLY HA3 4.00 # 390 0.0827 10 MET HG3 15 GLY HA3 4.00 # 391 0.1086 10 MET HG2 17 VAL HA 4.50 # 392 0.1120 10 MET HG3 17 VAL HA 4.50 # 393 0.0862 11 PHE HB2 15 GLY H 5.00 # 514 0.0431 11 PHE HB3 15 GLY H 5.00 # 515 0.0541 11 PHE HB2 16 THR H 4.00 # 210,212 0.0868 11 PHE HB3 16 THR H 3.00 # 211,213 0.2437 16 THR QG2 11 PHE H 6.00 # 373 0.0370 17 VAL QG1 9 ARG H 5.60 # 332,524 0.1053 17 VAL QG2 9 ARG H 5.60 # 336 0.2468 17 VAL QG1 10 MET HA 5.60 # 328 0.0674 # 17 VAL QG1 11 PHE H 6.00 # 333,531 0.0409 17 VAL QG2 11 PHE H 6.00 # 532 0.0517 20 PHE HB2 7 GLU H 5.60 # 179 0.0408 18 TYR QD 10 MET HA 4.00 # 430 0.1031 18 TYR QD 20 PHE HA 5.00 # 431 0.0660 20 PHE QD 22 HIS HA 4.00 # 457 0.4604 20 PHE QE 22 HIS HA 4.00 # 474 0.7343 20 PHE HZ 22 HIS HA 4.00 # 482 0.6238 20 PHE HZ 25 ASN H 4.50 # 483,511 0.1149 20 PHE HB2 27 SER HA 4.00 # 404 0.2511 22 HIS HD2 6 TRP HA 5.00 # 480 0.0319 22 HIS HD2 7 GLU HA 5.00 # 479 0.0313 24 THR QG2 26 ALA H 5.00 # 334 0.1161 29 PHE QD 19 TYR H 5.00 # 503 0.0469 # SC/SC 7 GLU HG2 22 HIS HD2 5.00 # 476 0.0508 7 GLU HG3 22 HIS HD2 5.00 # 477 0.0461 9 ARG QB 20 PHE QD 6.00 # 452 0.0233 2 protons 9 ARG HG2 20 PHE QD 5.00 # 453 0.0486 9 ARG HG3 20 PHE QD 5.00 # 454 0.0636 16 THR QG2 29 PHE QD 5.00 # 497 0.1700 18 TYR QD 29 PHE QD 5.00 # 433 0.0553 20 PHE QD 22 HIE HB3 4.00 # 455 0.1916 20 PHE QD 22 HIE HB2 4.00 # 456 0.1098 # long-range distances on beta sheet side # BB/BB 4 PRO HA 6 TRP H 4.00 # 92 0.1678 006 ol 6 TRP HA 21 ASN HA 4.00 # 30 0.2065 6 TRP HA 22 HIE H 4.00 # 107 0.1750 7 GLU H 20 PHE H 4.00 # 44,45 0.1386 7 GLU H 21 ASN HA 4.00 # 35 0.2253 7 GLU H 22 HIS H 5.00 # 79,80 0.0673 8 LYS HA 19 TYR HA 4.00 # 31 0.1001 8 LYS HA 20 PHE H 4.00 # 40 0.1638 9 ARG H 18 TYR H 4.00 # 46,47 0.2057 9 ARG H 19 TYR HA 4.00 # 36 0.1590 9 ARG H 20 PHE H 5.00 # 48,49 0.0607 19 TYR H 27 SER HA 5.00 # 37,38 0.0440 19 TYR H 28 GLN H 5.00 # 50 0.0697 20 PHE H 27 SER HA 5.60 # 126 0.0203 20 PHE HA 27 SER HA 4.00 # 33 0.3694 20 PHE HA 28 GLN H 5.00 # 42,43 0.0479 21 ASN HA 23 ILE H 4.00 # 114 0.1255 21 ASN H 27 SER HA 4.00 # 41 0.1064 22 HIS H 24 THR H 4.50 # 76 0.1286 23 ILE H 25 ASN H 4.00 # 72,73 0.2089 23 ILE HA 25 ASN H 5.00 # 101 0.0678 # SC/BB # 2 LEU QD1 7 GLU H 6.00 # 337 0.0605 2 LEU HB2 6 TRP H 5.50 # 149 0.0891 2 LEU HB3 6 TRP H 6.00 # 150 0.0522 # 2 LEU QD2 6 TRP H 6.00 # 331 0.0811 # 2 LEU QD2 6 TRP HA 6.00 # 327 0.0826 6 TRP HE1 3 PRO HA 6.00 # 553 0.0419 # 6 TRP HE3 19 TYR H 5.60 # 529 0.0361 # 6 TRP HE3 20 PHE H 4.00 # 539 0.1043 # 6 TRP HZ2 32 PRO HA 4.00 # 496 0.2877 # 6 TRP HE1 32 PRO HA 6.00 # 552 0.0231 19 TYR QD 8 LYS H 4.50 # 449,451 0.0911 19 TYR QE 8 LYS H 4.00 # 445,447 0.0754 19 TYR QD 9 ARG H 4.50 # 448,450 0.1072 19 TYR QE 9 ARG H 5.60 # 444,446 0.0728 19 TYR HB3 28 GLN H 5.00 # 191 0.0418 20 PHE HB3 7 GLU H 4.00 # 178 0.1361 20 PHE HB2 7 GLU H 5.60 # 179 0.0408 21 ASN HB2 6 TRP HA 5.00 # 298 0.0713 21 ASN HB2 26 ALA H 4.00 # 135,136 0.1621 21 ASN HB3 26 ALA H 4.00 # 481 0.1659 23 ILE QD1 4 PRO HA 6.00 # 322 0.0519 23 ILE QD1 5 GLY H 5.60 # 329,523 0.0527 23 ILE QD1 5 GLY HA2 5.00 # 318 0.3168 23 ILE QD1 5 GLY HA3 5.00 # 320 0.3994 23 ILE QG2 5 GLY HA2 6.00 # 319 0.0674 slight ol # 23 ILE QG2 25 ASN H 6.00 # 323 0.0690 24 THR HB 26 ALA H 5.00 # 230,231 0.0573 26 ALA QB 20 PHE HA 6.00 # 355 0.0217 26 ALA QB 21 ASN H 5.00 # 242,243 0.0894 28 GLN QG 30 GLU H 5.00 # 398 0.1771 2 protons 32 PRO HG2 2 LEU HA 5.20 # 313 0.0317 # SC/SC 2 LEU HB2 6 TRP HB3 5.00 # 358 0.2144 2 LEU QD2 6 TRP HB3 5.50 # 326 0.1830 # 2 LEU QD1 6 TRP HD1 6.00 # 330 0.0521 2 LEU QD2 32 PRO HG3 5.60 # 307 0.0551 2 LEU QD2 32 PRO HG2 5.00 # 308 0.1889 3 PRO HB2 6 TRP HD1 4.00 # 374 0.2019 3 PRO HG3 6 TRP HD1 4.80 # 375 0.2228 3 PRO HB2 6 TRP HE1 5.00 # 376,547 0.0612 3 PRO HB3 6 TRP HE1 5.00 # 549 0.0518 3 PRO HG2 6 TRP HE1 5.00 # 377,548 0.0497 3 PRO HG2 6 TRP HE1 4.00 # 381 0.1169 3 PRO HG2 6 TRP HD1 4.00 # 380 0.5307 3 PRO HD2 6 TRP HE1 5.00 # 550 0.0553 3 PRO HD3 6 TRP HE1 5.00 # 551 0.0480 # 3 PRO HB2 32 PRO HD3 5.00 # 386 0.0730 # 3 PRO HB2 32 PRO HG3 6.00 # 301 0.0291 3 PRO HD2 32 PRO HG3 5.00 # 303 0.0585 3 PRO HD3 32 PRO HG3 6.00 # 304 0.0618 3 PRO HB2 32 PRO HG2 5.50 # 306 0.0906 3 PRO HD2 32 PRO HG2 4.50 # 311 0.1156 3 PRO HD3 32 PRO HG2 5.50 # 312 0.1078 3 PRO HD2 32 PRO HB3 4.50 # 316 0.1792 3 PRO HD3 32 PRO HB2 5.50 # 317 0.1000 # 6 TRP HE3 19 TYR HB2 4.00 # 399 0.4116 6 TRP HB2 19 TYR QE 5.60 # 442 0.0235 6 TRP HB3 19 TYR QE 5.00 # 443 0.0351 # 6 TRP HE3 21 ASN HB2 4.00 # 489 0.1498 6 TRP HH2 21 ASN HB2 4.00 # 462 0.0874 6 TRP HH2 21 ASN HB3 5.00 # 463 0.1014 # 6 TRP HZ2 21 ASN HB2 4.00 # 492 0.1025 6 TRP HE1 21 ASN HB2 5.00 # 546 0.0333 6 TRP HZ3 26 ALA QB 5.00 # 357 0.1041 # 6 TRP HZ2 26 ALA QB 5.00 # 495 0.2034 6 TRP HB2 32 PRO HG3 4.00 # 302 0.0964 6 TRP HB2 32 PRO HG2 4.00 # 309 0.0862 6 TRP HB3 32 PRO HG2 6.00 # 310 0.0344 6 TRP HZ3 32 PRO HG3 6.00 # 305,464 0.0574 6 TRP HZ3 32 PRO HG2 5.60 # 314 0.0520 # 6 TRP HE1 32 PRO HB3 5.00 # 324,542 0.0606 # 6 TRP HE1 32 PRO HB2 4.50 # 325,543 0.0820 6 TRP HD1 32 PRO HG3 5.00 # 465 0.0442 6 TRP HD1 32 PRO HG2 5.00 # 466 0.0369 # 6 TRP HE3 32 PRO HG3 4.50 # 490 0.0942 # 6 TRP HE3 32 PRO HG2 5.00 # 491 0.0468 # 6 TRP HZ2 32 PRO HG3 5.60 # 493 0.0913 # 6 TRP HZ2 32 PRO HG2 5.60 # 494 0.0401 6 TRP HE1 32 PRO HG3 5.00 # 544 0.0273 6 TRP HE1 32 PRO HG2 5.60 # 545 0.0176 19 TYR QD 31 ARG QB 5.00 # 441 0.2339 2 protons 19 TYR QD 31 ARG HG2 4.00 # 439 0.1757 19 TYR QD 31 ARG HG3 4.00 # 440 0.1518 19 TYR QE 31 ARG QB 4.00 # 438 0.4954 2 protons 19 TYR QE 31 ARG HG2 4.00 # 436 0.3437 19 TYR QE 31 ARG HG3 4.00 # 437 0.2368 19 TYR QE 31 ARG QD 5.00 # 207 0.1212 2 protons 19 TYR HB3 32 PRO HD3 4.00 # 405 0.4572 19 TYR HB3 32 PRO HD2 4.00 # 406 0.4366 21 ASN HB2 6 TRP HZ3 4.00 # 300 0.0798 21 ASN HB2 24 THR QG2 5.60 # 297 0.0481 21 ASN HB2 26 ALA QB 5.00 # 296 0.1607 24 THR HB 26 ALA QB 5.00 # 354 0.2399
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