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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563772 |
2m9j   |
19296 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
# SEA006 6-residue-turn with GlcNAc # intra-residue distance restraints # HA/H # 7 GLU HA 7 GLU H 3.19 # 130 0.1403 # 8 LYS HA 8 LYS H 3.19 # 123 0.1387 # 10 MET HA 10 MET H 3.28 # 104 0.1178 # 17 VAL HA 17 VAL H 3.21 # 118 0.1340 # 18 TYR HA 18 TYR H 3.14 # 119 0.1526 # 19 TYR HA 19 TYR H 3.27 # 124 0.1204 # 20 PHE HA 20 PHE H 3.31 # 125 0.1111 # 23 ILE HA 23 ILE H 3.07 # 113 0.1750 # 26 ALA HA 26 ALA H 2.97 # 90 0.2118 # 31 ARG HA 31 ARG H 3.17 # 295 0.1435 # 33 SER HA 33 SER H 3.08 # 110 0.1734 # HB/H 8 LYS HB2 8 LYS H 4.00 # 157 0.2196 8 LYS HB3 8 LYS H 4.00 # 158 0.2981 9 ARG QB 9 ARG H 5.00 # 141,142 0.1446 2 protons 11 PHE HB3 11 PHE H 4.00 # 216 0.1595 11 PHE HB2 11 PHE H 4.00 # 217 0.2185 17 VAL HB 17 VAL H 3.00 # 174 0.3981 18 TYR HB2 18 TYR H 4.00 # 186 0.0524 18 TYR HB3 18 TYR H 4.00 # 187 0.0633 20 PHE HB3 20 PHE H 4.00 # 182 0.2206 20 PHE HB2 20 PHE H 4.00 # 183 0.1561 23 ILE HB 23 ILE H 3.00 # 172 0.5342 24 THR HB 24 THR H 4.00 # 233 0.0922 25 ASN HB2 25 ASN H 4.00 # 198 0.0895 25 ASN HB3 25 ASN H 4.50 # 199 0.1054 27 SER HB2 27 SER H 4.00 # 218 0.2053 only 006 27 SER HB3 27 SER H 5.00 # 219 0.1084 only 006 30 GLU HB2 30 GLU H 4.00 # 159 0.2477 30 GLU HB3 30 GLU H 4.00 # 160 0.2945 31 ARG QB 31 ARG H 4.00 # 147,148 0.6064 2 protons # HB/HA 6 TRP HB2 6 TRP HA 4.00 # 279 0.2367 slight ol 6 TRP HB3 6 TRP HA 4.00 # 280 0.1670 8 LYS HB2 8 LYS HA 4.00 # 253 0.2594 8 LYS HB3 8 LYS HA 4.00 # 254 0.2522 slight ol 11 PHE HB3 11 PHE HA 4.00 # 283 0.3138 11 PHE HB2 11 PHE HA 4.00 # 284 0.3520 17 VAL HB 17 VAL HA 4.00 # 261 0.2791 19 TYR HB2 19 TYR HA 4.00 # 271 0.2390 19 TYR HB3 19 TYR HA 4.00 # 272 0.2864 21 ASN HB2 21 ASN HA 4.00 # 246 0.1908 21 ASN HB3 21 ASN HA 4.00 # 247 0.1876 slight ol 22 HIS HB3 22 HIS HA 3.00 # 281 0.3704 slight ol 22 HIS HB2 22 HIS HA 3.00 # 282 0.4085 slight ol 24 THR HB 24 THR HA 3.00 # 291 0.4859 25 ASN HB2 25 ASN HA 4.00 # 275 0.2376 25 ASN HB3 25 ASN HA 4.00 # 276 0.3689 27 SER HB2 27 SER HA 4.00 # 287 0.2017 27 SER HB3 27 SER HA 4.00 # 288 0.2155 29 PHE HB2 29 PHE HA 3.00 # 277 0.3150 slight ol 29 PHE HB3 29 PHE HA 3.00 # 278 0.3637 30 GLU HB2 30 GLU HA 3.00 # 255 0.4696 slight ol 30 GLU HB3 30 GLU HA 3.00 # 256 0.6149 slight ol 33 SER HB2 33 SER HA 4.00 # 285 0.2471 33 SER HB3 33 SER HA 4.00 # 286 0.2081 # others 6 TRP HZ3 6 TRP HA 5.00 # 459 0.0548 6 TRP HD1 6 TRP HA 4.50 # 460 0.0583 11 PHE QD 11 PHE H 4.00 # 536 0.1383 only 006 14 ASN HB3 14 ASN HD21 4.00 # 411 0.1060 only 006 16 THR QG2 16 THR H 5.00 # 372 0.1198 18 TYR QD 18 TYR H 4.00 # 517 0.1861 18 TYR QE 18 TYR H 5.00 # 518 0.0345 only 006 18 TYR QE 18 TYR HB2 5.00 # 401 0.0582 only 006 19 TYR QD 19 TYR H 4.00 # 528 0.2842 20 PHE QD 20 PHE HA 4.00 # 458 0.2723 20 PHE QD 20 PHE H 5.00 # 459,538 0.0075 29 PHE QD 29 PHE H 4.00 # 502 0.1458 # sequential distance restraints # H/H: values of both cross peaks were mediated (in some cases not due to phasing problems) 5 GLY H 6 TRP H 4.00 # 60 0.0641 calibration peak 7 GLU H 8 LYS H 5.00 # 29 0.0263 calibration peak 9 ARG H 10 MET H 5.00 # 25 0.0250 calibration peak 14 ASN H 15 GLY H 5.00 # 85,86 0.0282 one peak very weak 15 GLY H 16 THR H 4.00 # 62 0.1220 16 THR H 17 VAL H 5.00 # 63,64 0.0636 18 TYR H 19 TYR H 5.00 # 26 0.0226 calibration peak 20 PHE H 21 ASN H 4.50 # 20,24 0.0410 calibration peak 22 HIS H 23 ILE H 4.00 # 78 0.1736 23 ILE H 24 THR H 3.00 # 57,58 0.4108 24 THR H 25 GLN H 3.00 # 56 0.3695 25 ASN H 26 ALA H 4.00 # 71 0.2299 27 SER H 28 GLN H 5.00 # 27 0.0247 29 PHE H 30 GLU H 4.00 # 84 0.2094 30 GLU H 31 ARG H 5.00 # 82 0.0196 33 SER H 34 GLY H 4.00 # 68 0.0812 # HA/H 6 TRP HA 7 GLU H 3.00 # 17 0.6410 calibration peak 7 GLU HA 8 LYS H 3.00 # 12 0.8080 calibration peak 9 ARG HA 10 MET H 3.00 # 7 0.5965 calibration peak 14 ASN HA 15 GLY H 4.00 # 115 0.1583 15 GLY HA2 16 THR H 4.00 # 99 0.1026 15 GLY HA3 16 THR H 4.00 # 100 0.1480 17 VAL HA 18 TYR H 3.00 # 11 0.6251 calibration peak 20 PHE HA 21 ASN H 3.00 # 9 0.5251 calibration peak 21 ASN HA 22 HIS H 3.00 # 8 0.5740 calibration peak # 23 ILE HA 22 HIS H 5.00 # 108 0.0281 23 ILE HA 24 THR H 4.00 # 94 0.1034 25 ASN HA 26 ALA H 4.00 # 89 0.2519 26 ALA HA 27 SER H 4.00 # 10 1.0000 calibration peak 27 SER HA 28 GLN H 3.00 # 16 0.4693 calibration peak 28 GLN HA 29 PHE H 4.00 # 13 0.1862 calibration peak 29 PHE HA 30 GLU H 4.00 # 111 0.0992 30 GLU HA 31 ARG H 3.00 # 117 0.7506 slight ol 32 PRO HA 33 SER H 3.50 # 109 0.5770 # HA/HA # 3 PRO HA 4 PRO HA 3.10 # 294 0.1640 # 26 ALA HA 27 SER HA 3.68 # 133 0.0596 # 27 SER HA 28 GLN HA 3.85 # 134 0.0455 # 30 GLU HA 31 ARG HA 3.69 # 131 0.0583 slight ol # 32 PRO HA 33 SER HA 5.19 # 132 0.0079 very weak # HB/H 4 PRO HB2 5 GLY H 4.00 # 169 0.0410 4 PRO HB3 5 GLY H 4.00 # 170 0.0871 6 TRP HB2 7 GLU H 4.00 # 206 0.1250 6 TRP HB3 7 GLU H 4.50 # 207 0.0754 8 LYS HB2 9 ARG H 4.00 # 153 0.0890 8 LYS HB3 9 ARG H 4.50 # 154 0.0831 17 VAL HB 18 TYR H 4.00 # 173 0.0970 19 TYR HB2 20 PHE H 4.20 # 188 0.0959 HF cross peak 19 TYR HB3 20 PHE H 4.00 # 189 0.1553 HF cross peak 20 PHE HB3 21 ASN H 4.50 # 180 0.0635 HF cross peak 20 PHE HB2 21 ASN H 4.50 # 181 0.0768 HF cross peak 23 ILE HB 24 THR H 3.00 # 171 0.4702 24 THR HB 25 ASN H 4.00 # 235 0.0356 25 ASN HB2 26 ALA H 4.00 # 194 0.0504 25 ASN HB3 26 ALA H 5.50 # 195 0.0292 # 26 ALA QB 25 ASN H 5.00 # 241 0.0577 26 ALA QB 27 SER H 4.00 # 245 0.3493 27 SER HB2 28 GLN H 4.00 # 228 0.0683 27 SER HB3 28 GLN H 4.00 # 229 0.1376 30 GLU HB2 31 ARG H 4.00 # 161 0.1418 HF cross peak 30 GLU HB3 31 ARG H 4.00 # 162 0.1282 HF cross peak 32 PRO HB3 33 SER H 4.00 # 145 0.0788 32 PRO HB2 33 SER H 4.00 # 146 0.0691 # HB/HA # 11 PHE HB3 10 MET HA 3.98 # 413 0.0370 only 006 # 11 PHE HB2 10 MET HA 3.70 # 414 0.0572 only 006 # 13 SER HB2 14 ASN HA 3.17 # 415 0.1447 only 006 # 20 PHE HB2 19 TYR HA 3.61 # 402 0.0671 # 21 ASN HB2 20 PHE HA 3.72 # 299 0.0557 # 26 ALA QB 27 SER HA 4.80 # 356 0.0491 # 28 GLN QB 27 SER HA 4.60 # 388 0.0676 2 protons # 32 PRO HB3 31 ARG HA 3.48 # 315 0.0828 # SC/SC # 2 LEU HB2 3 PRO HD3 3.28 # 359 0.1186 # 16 THR QG2 17 VAL HB 4.49 # 360 0.0815 # 16 THR QG2 17 VAL QG1 6.23 # 362 0.0230 005 ol # 16 THR QG2 17 VAL QG2 5.50 # 363 0.0799 005 ol # 22 HIS HD2 23 ILE QG2 5.24 # 342 0.0256 # 22 HIS HD2 23 ILE QD1 4.71 # 341,475 0.0564 # 23 ILE HB 24 THR QG2 3.78 # 343 0.3157 # 31 ARG HG2 32 PRO HD3 3.08 # 382 0.1711 # 31 ARG HG3 32 PRO HD3 2.84 # 383 0.2792 # 31 ARG HG2 32 PRO HD2 3.50 # 384 0.0802 # 31 ARG HG3 32 PRO HD2 3.42 # 385 0.0914 # others # 6 TRP HZ3 7 GLU H 5.50 # 541 0.0296 7 GLU HB2 8 LYS H 4.50 # 387 0.0965 7 GLU HG2 8 LYS H 4.00 # 396 0.0962 7 GLU HG3 8 LYS H 4.00 # 397 0.0737 8 LYS HG2 9 ARG H 4.00 # 349 0.1047 10 MET HG2 11 PHE H 4.00 # 394 0.0914 10 MET HG3 11 PHE H 4.00 # 395 0.0611 # 16 THR QG2 17 VAL HA 5.00 # 365 0.0424 17 VAL QG1 18 TYR H 4.00 # 345 0.2628 17 VAL QG2 18 TYR H 5.00 # 346 0.1143 # 18 TYR QD 17 VAL HA 4.00 # 429 0.1345 18 TYR QD 19 TYR H 4.00 # 527 0.1668 18 TYR QE 19 TYR H 5.50 # 530 0.0271 only 006 19 TYR QD 20 PHE H 4.20 # 537 0.0611 # 22 HIS HD2 23 ILE HA 5.00 # 478 0.0190 24 THR QG2 25 ASN H 5.00 # 347 0.0738 24 THR QG2 23 ILE H 5.00 # 348 0.1072 32 PRO HB3 33 SER H 4.00 # 143 0.1137 32 PRO HB2 33 SER H 4.00 # 144 0.1128 # long-range distances on turn side # BB/BB 9 ARG H 18 TYR H 4.00 # 46,47 0.1313 9 ARG H 19 TYR HA 4.00 # 36 0.1215 9 ARG H 20 PHE H 5.00 # 28,29 0.0435 10 MET HA 18 TYR H 4.00 # 120 0.1602 11 PHE H 16 THR H 4.00 # 66 0.0407 11 PHE H 17 VAL HA 4.00 # 533 0.1322 005 ol 11 PHE H 18 TYR H 5.00 # 87,519 0.0426 23 ILE H 25 ASN H 4.00 # 72,73 0.1395 # SC/BB 8 LYS HG2 18 TYR H 4.00 # 335 0.0657 9 ARG QB 18 TYR H 5.00 # 516 0.0283 2 protons 9 ARG QB 19 TYR HA 5.00 # 338 0.0418 only 006 2 protons 10 MET HG2 15 GLY HA2 4.50 # 389 0.0690 10 MET HG2 15 GLY HA3 5.00 # 390 0.0287 10 MET HG3 15 GLY HA3 5.00 # 391 0.0359 10 MET HG2 17 VAL HA 4.20 # 392 0.0856 10 MET HG3 17 VAL HA 4.00 # 393 0.0533 11 PHE HB3 15 GLY H 4.00 # 514 0.0338 11 PHE HB2 15 GLY H 3.50 # 515 0.0425 11 PHE HB3 16 THR H 4.00 # 210,212 0.0737 11 PHE HB2 16 THR H 4.00 # 211,213 0.1066 # 213 005 broad 11 PHE QD 17 VAL HA 5.00 # 486 0.0309 only 006 11 PHE QD 17 VAL H 3.70 # 488 0.1184 only 006 16 THR QG2 11 PHE H 5.00 # 373 0.0359 17 VAL QG1 9 ARG H 5.00 # 332,524 0.0655 17 VAL QG2 9 ARG H 5.50 # 336 0.1568 17 VAL QG1 10 MET HA 5.00 # 328 0.1074 # 17 VAL QG1 11 PHE H 5.00 # 333 0.0534 17 VAL QG2 11 PHE H 5.70 # 532 0.0142 18 TYR QD 9 ARG H 5.00 # 526 0.0146 only 006 18 TYR QE 9 ARG H 6.00 # 525 0.0176 only 006 18 TYR QD 10 MET HA 4.00 # 430 0.1897 18 TYR QE 10 MET HA 4.00 # 427 0.0689 only 006 18 TYR QD 10 MET H 5.00 # 434 0.0408 005 very weak 18 TYR QE 10 MET H 4.00 # 509 0.0392 only 006 18 TYR QD 11 PHE H 4.00 # 535 0.0982 005 ol 18 TYR QE 11 PHE H 4.00 # 534 0.0707 only 006 18 TYR QD 20 PHE HA 5.00 # 431 0.0512 # 18 TYR QD 21 ASN H 6.00 # 513 0.0222 only 006 18 TYR QD 27 SER HA 4.00 # 432 0.0827 only 006 18 TYR QD 28 GLN H 4.00 # 540 0.0713 only 006 20 PHE HB3 7 GLU H 4.00 # 178 0.1081 20 PHE HB2 7 GLU H 5.00 # 179 0.0439 20 PHE QE 22 HIS HA 4.00 # 474 0.7677 20 PHE HZ 22 HIS HA 4.20 # 482 0.3789 20 PHE QD 22 HIS HA 4.00 # 457 0.2348 20 PHE QE 25 ASN H 5.00 # 512 0.0481 005 ol 20 PHE HZ 25 ASN H 5.00 # 483,511 0.0669 20 PHE HB2 27 SER HA 4.00 # 404 0.0621 22 HIS HD2 6 TRP HA 5.00 # 480 0.0172 22 HIS HD2 7 GLU HA 5.00 # 479 0.0159 27 SER HB2 19 TYR H 5.00 # 222,224 0.0229 005 broad not used 27 SER HB3 19 TYR H 5.50 # 223,225 0.0127 005 broad not used 27 SER HB2 20 PHE HA 5.00 # 416 0.0381 only 006 27 SER HB3 20 PHE HA 5.00 # 417 0.0387 only 006 24 THR QG2 26 ALA H 5.00 # 334 0.0689 29 PHE QD 19 TYR H 4.50 # 503 0.0590 # SC/SC 7 GLU HG2 22 HIS HD2 5.00 # 476 0.0119 7 GLU HG3 22 HIS HD2 5.00 # 477 0.0163 9 ARG QB 18 TYR QD 5.00 # 340,428 0.0548 only 006 2 protons 9 ARG QB 18 TYR QE 5.00 # 339,424 0.0982 only 006 2 protons 9 ARG HG2 18 TYR QD 5.00 # 351 0.0495 only 006 9 ARG HG2 18 TYR QE 4.00 # 350,425 0.1234 only 006 9 ARG HG3 18 TYR QE 5.00 # 353,426 0.0266 only 006 9 ARG QB 20 PHE QD 5.30 # 452 0.0278 2 protons 9 ARG HG2 20 PHE QD 4.00 # 453 0.0641 9 ARG HG3 20 PHE QD 5.50 # 454 0.0119 11 PHE QD 16 THR QG2 5.00 # 485 0.2188 only 006 11 PHE HZ 16 THR QG2 5.60 # 368 0.0173 only 006 11 PHE QE 16 THR QG2 5.00 # 369,468 0.0733 only 006 11 PHE QE 18 TYR QE 4.50 # 487 0.0618 only 006 11 PHE HZ 18 TYR QE 5.00 # 435 0.0217 only 006 11 PHE QE 29 PHE QD 5.00 # 501 0.0253 only 006 16 THR QG2 18 TYR QD 5.20 # 367 0.0298 005 ol 16 THR QG2 29 PHE QD 5.00 # 370 0.1146 005 ol 16 THR QG2 29 PHE QD 5.00 # 497 0.1266 18 TYR QE 20 PHE HB2 4.00 # 403 0.2170 only 006 18 TYR QD 27 SER HB2 4.00 # 420,472 0.0816 only 006 18 TYR QE 27 SER HB3 4.00 # 421,473 0.0961 only 006 18 TYR QE 27 SER HB2 5.00 # 418 0.0371 only 006 18 TYR QE 27 SER HB3 5.00 # 419 0.0456 only 006 18 TYR QD 29 PHE QD 4.00 # 433 0.0683 18 TYR HB2 29 PHE QD 4.00 # 498 0.0905 only 006 18 TYR HB3 29 PHE QD 4.00 # 499 0.1053 only 006 # 18 TYR QE 29 PHE QD 6.00 # 500 0.0160 only 006 20 PHE QD 22 HIS HB3 4.00 # 455 0.1264 20 PHE QD 22 HIS HB2 4.50 # 456 0.0614 20 PHE QD 27 SER HB2 4.50 # 422,470 0.0932 only 006 20 PHE QD 27 SER HB3 4.00 # 423,471 0.1097 only 006 # long-range distances on beta sheet side # BB/BB 6 TRP HA 21 ASN H 5.00 # 103 0.0481 slight ol, only 006 6 TRP HA 21 ASN HA 4.00 # 30 0.1117 6 TRP HA 22 HIS H 4.00 # 107 0.1239 7 GLU H 20 PHE H 4.00 # 44,45 0.1516 7 GLU H 21 ASN HA 4.00 # 35 0.1274 7 GLU H 22 HIS H 4.00 # 79,80 0.0589 8 LYS HA 19 TYR HA 4.00 # 31 0.0970 8 LYS HA 20 PHE H 4.00 # 40 0.0677 9 ARG H 18 TYR H 4.00 # 46,47 0.1313 9 ARG H 19 TYR HA 4.00 # 36 0.1215 9 ARG H 20 PHE H 5.00 # 48,49 0.0476 18 TYR HA 28 GLN H 5.50 # 127 0.0410 only 006 # 19 TYR H 21 ASN H 5.00 # 74 0.0533 005 very weak 19 TYR H 27 SER HA 4.50 # 37,38 0.1258 19 TYR H 28 GLN H 4.00 # 50 0.0776 19 TYR HA 28 GLN H 5.00 # 129 0.0202 005 very weak 20 PHE H 27 SER HA 5.00 # 126 0.0160 20 PHE HA 27 SER HA 4.00 # 33 0.3447 20 PHE HA 28 GLN H 4.00 # 43 0.0866 21 ASN H 25 ASN HA 4.50 # 102 0.0893 005 ol 21 ASN H 26 ALA H 4.00 # 75 0.0708 005 ol 21 ASN H 27 SER HA 4.00 # 41 0.1172 21 ASN H 28 GLN H 5.00 # 88 0.0248 006 only 21 ASN HA 23 ILE H 4.00 # 114 0.1032 22 HIS H 24 THR H 5.00 # 76 0.0530 23 ILE HA 25 ASN H 5.00 # 101 0.0523 28 GLN HA 30 GLU H 5.00 # 112 0.0818 005 broad # SC/BB 2 LEU HB2 6 TRP H 5.00 # 149 0.0314 2 LEU HB3 6 TRP H 6.00 # 150 0.0563 # 2 LEU QD1 6 TRP H 6.00 # 331 0.0584 # 2 LEU QD2 6 TRP HA 6.00 # 327 0.0674 # 2 LEU QD1 7 GLU H 6.00 # 337 0.0312 6 TRP HE1 3 PRO HA 5.60 # 553 0.0376 # 6 TRP HE3 19 TYR H 5.60 # 529 0.0227 # 6 TRP HE3 20 PHE H 4.00 # 539 0.0867 6 TRP HE1 32 PRO HA 6.00 # 552 0.0101 # 6 TRP HZ2 32 PRO HA 4.00 # 496 0.1290 19 TYR QD 8 LYS H 4.50 # 449,451 0.0575 19 TYR QE 8 LYS H 4.00 # 445,447 0.0599 19 TYR QD 9 ARG H 4.50 # 448,450 0.0614 19 TYR QE 9 ARG H 5.50 # 444,446 0.0365 19 TYR HB3 28 GLN H 5.00 # 191 0.1018 21 ASN HB2 6 TRP HA 4.00 # 298 0.0564 21 ASN HB2 26 ALA H 4.00 # 135,136 0.1079 21 ASN HB3 26 ALA H 4.00 # 481 0.1476 23 ILE QD1 4 PRO HA 6.00 # 322 0.0411 23 ILE QD1 5 GLY H 5.00 # 329 0.0402 23 ILE QG2 5 GLY HA2 5.00 # 319 0.0696 slight ol 23 ILE QG2 5 GLY HA3 5.00 # 321 0.0382 ol 23 ILE QD1 5 GLY HA2 5.00 # 318 0.2253 23 ILE QD1 5 GLY HA3 5.00 # 320 0.2101 23 ILE QG2 25 ASN H 6.00 # 323 0.0311 24 THR HB 26 ALA H 4.00 # 231 0.0811 26 ALA QB 20 PHE HA 5.50 # 355 0.0373 26 ALA QB 21 ASN H 5.00 # 242,243 0.0794 28 GLN QG 30 GLU H 5.00 # 398 0.1949 2 protons 32 PRO HG2 2 LEU HA 5.00 # 313 0.0431 # SC/SC 2 LEU HB2 6 TRP HB3 4.50 # 358 0.1184 2 LEU QD2 6 TRP HB3 6.00 # 326 0.1124 2 LEU QD1 6 TRP HD1 5.50 # 330 0.0373 2 LEU QD2 32 PRO HG3 5.20 # 307 0.0314 2 LEU QD2 32 PRO HG2 5.20 # 308 0.0289 3 PRO HB2 6 TRP HD1 4.00 # 374 0.1159 3 PRO HG3 6 TRP HD1 5.00 # 375 0.1170 3 PRO HB2 6 TRP HE1 5.00 # 376,547 0.0388 3 PRO HG2 6 TRP HE1 5.00 # 377,548 0.0206 3 PRO HG2 6 TRP HD1 4.50 # 380 0.4356 3 PRO HG2 6 TRP HE1 5.00 # 381 0.0763 3 PRO HB3 6 TRP HE1 5.50 # 549 0.0296 3 PRO HD2 6 TRP HE1 5.50 # 550 0.0160 3 PRO HD3 6 TRP HE1 5.00 # 551 0.0194 # 3 PRO HB2 32 PRO HG3 6.00 # 301 0.0431 3 PRO HB2 32 PRO HG2 6.00 # 306 0.0428 3 PRO HD2 32 PRO HG3 5.50 # 303 0.0429 3 PRO HD3 32 PRO HG3 5.00 # 304 0.0270 3 PRO HD2 32 PRO HG2 4.50 # 311 0.0811 3 PRO HD3 32 PRO HG2 5.50 # 312 0.0654 3 PRO HD2 32 PRO HB3 4.50 # 316 0.1154 3 PRO HD3 32 PRO HB3 5.00 # 317 0.0821 # 3 PRO HB2 32 PRO HD3 4.00 # 386 0.1239 # 6 TRP HE3 19 TYR HB2 4.00 # 399 0.2962 6 TRP HB2 19 TYR QE 5.60 # 442 0.0060 very weak 6 TRP HB3 19 TYR QE 5.00 # 443 0.0193 6 TRP HE3 21 ASN HB2 4.00 # 489 0.1185 6 TRP HZ3 21 ASN HB2 5.00 # 300 0.0499 # 6 TRP HZ2 21 ASN HB2 5.00 # 492 0.0563 6 TRP HE1 21 ASN HB2 5.00 # 546 0.0210 6 TRP HZ3 26 ALA QB 5.00 # 357 0.0447 # 6 TRP HZ2 26 ALA QB 5.00 # 495 0.0771 6 TRP HB2 32 PRO HG3 4.00 # 302 0.0930 6 TRP HZ3 32 PRO HG3 6.00 # 305,464 0.0391 6 TRP HB2 32 PRO HG2 5.00 # 309 0.0413 6 TRP HB3 32 PRO HG2 5.00 # 310 0.0163 6 TRP HZ3 32 PRO HG2 5.60 # 314 0.0191 6 TRP HE1 32 PRO HB3 5.00 # 324,542 0.0357 6 TRP HE1 32 PRO HB2 6.00 # 325,543 0.0395 6 TRP HD1 32 PRO HG3 5.00 # 465 0.0302 6 TRP HD1 32 PRO HG2 5.00 # 466 0.0426 # 6 TRP HE3 32 PRO HG3 5.00 # 490 0.1009 # 6 TRP HE3 32 PRO HG2 4.00 # 491 0.0779 # 6 TRP HZ2 32 PRO HG3 5.50 # 493 0.0612 # 6 TRP HZ2 32 PRO HG2 5.50 # 494 0.0320 6 TRP HE1 32 PRO HG3 5.00 # 544 0.0176 6 TRP HE1 32 PRO HG2 5.00 # 545 0.0188 18 TYR HB2 29 PHE QD 4.00 # 400 0.0947 006 only 19 TYR QE 31 ARG QD 5.00 # 207 0.0754 2 protons 19 TYR QE 31 ARG HG2 4.00 # 436 0.2307 19 TYR QE 31 ARG HG3 4.00 # 437 0.1014 19 TYR QE 31 ARG QB 5.00 # 438 0.2143 2 protons 19 TYR QD 31 ARG HG2 4.00 # 439 0.1297 19 TYR QD 31 ARG HG3 4.00 # 440 0.0747 19 TYR QD 31 ARG QB 5.00 # 441 0.1213 2 protons 19 TYR HB3 32 PRO HD3 4.00 # 405 0.2450 19 TYR HB3 32 PRO HD2 5.00 # 406 0.2615 21 ASN HB2 24 THR QG2 5.60 # 297 0.0199 21 ASN HB2 26 ALA QB 5.00 # 296 0.1050 24 THR HB 26 ALA QB 5.00 # 354 0.1498
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