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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563748 |
2m9e   |
19291 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
# SEA003 5-residue turn without GlcNAc # intra-residue distance restraints # HA/H # 5 GLY HA2 5 GLY H 3.00 # 469 0.4381 # 5 GLY HA3 5 GLY H 2.96 # 470 0.4729 # 6 TRP HA 6 TRP H 2.81 # 472 0.6576 # 7 GLU HA 7 GLU H 3.23 # 473 0.2742 # 8 LYS HA 8 LYS H 3.29 # 474 0.2460 # 10 MET HA 10 MET H 3.35 # 252 0.2181 only 003 # 12 ALA HA 12 ALA H 3.61 # 299 0.1326 # 13 ASN HA 13 ASN H 3.18 # 479 0.3045 # 14 GLY HA3 14 GLY H 2.48 # 481 1.4101 # 15 THR HA 15 THR H 3.04 # 482 0.4023 only 003 # 17 TYR HA 17 TYR H 3.46 # 483 0.1777 # 19 PHE HA 19 PHE H 3.60 # 305 0.1349 # 21 HIS HA 21 HIS H 2.74 # 484 0.7687 # 23 THR HA 23 THR H 2.63 # 488 0.9817 # 25 ALA HA 25 ALA H 3.01 # 490 0.4318 # 26 SER HA 26 SER H 3.41 # 491 0.1940 # 27 GLN HA 27 GLN H 3.56 # 492 0.1468 # 28 PHE HA 28 PHE H 3.50 # 493 0.1641 003 slight ol # 30 ARG HA 30 ARG H 3.31 # 497 0.2365 # HB/H 6 TRP HB2 6 TRP H 4.00 # 412,414 1.0667 6 TRP HB3 6 TRP H 4.00 # 413,415 0.9153 7 GLU HB2 7 GLU H 4.00 # 416,417 0.3087 8 LYS HB2 8 LYS H 4.00 # 418,420 0.4923 8 LYS HB3 8 LYS H 4.00 # 419,421 0.5709 9 ARG QB 9 ARG H 4.50 # 272 0.2964 2 protons 10 MET HB2 10 MET H 4.00 # 422,423 0.1994 11 PHE HB2 11 PHE H 4.00 # 106,288 0.3064 11 PHE HB3 11 PHE H 4.00 # 107,289 0.2858 12 ALA QB 12 ALA H 5.00 # 296 0.2144 13 ASN HB2 13 ASN H 4.00 # 426 0.0716 13 ASN HB3 13 ASN H 4.00 # 425,427 0.2664 16 VAL HB 16 VAL H 3.00 # 267 0.9991 19 PHE HB3 19 PHE H 4.00 # 85,301 0.3681 19 PHE HB2 19 PHE H 4.00 # 97,303 0.2590 20 ASN HB2 20 ASN H 4.00 # 429,431 0.5075 20 ASN HB3 20 ASN H 4.00 # 430,432 0.6080 22 ILE HB 22 ILE H 3.50 # 433,434 0.7151 27 GLN QB 27 GLN H 4.00 # 437 0.4015 2 protons 28 PHE HB2 28 PHE H 4.00 # 282 0.2622 28 PHE HB3 28 PHE H 4.00 # 283 0.1997 # HB/HA 2 LEU HB2 2 LEU HA 4.00 # 439 0.3059 2 LEU HB3 2 LEU HA 4.00 # 440 0.5656 6 TRP HB2 6 TRP HA 4.00 # 441 0.2966 6 TRP HB3 6 TRP HA 4.00 # 442 0.2611 7 GLU HB2 7 GLU HA 3.00 # 443 0.8694 8 LYS HB2 8 LYS HA 4.00 # 444 0.3330 8 LYS HB3 8 LYS HA 4.00 # 445 0.3533 9 ARG QB 9 ARG HA 3.50 # 446 0.5149 2 protons 10 MET HB2 10 MET HA 4.00 # 447 0.2776 10 MET HB3 10 MET HA 4.00 # 448 0.3488 11 PHE HB2 11 PHE HA 4.50 # 449 0.0850 11 PHE HB3 11 PHE HA 4.00 # 450 0.2150 13 ASN HB2 13 ASN HA 3.00 # 98 1.4100 13 ASN HB3 13 ASN HA 3.00 # 99 1.1186 16 VAL HB 16 VAL HA 3.50 # 451 0.5660 17 TYR HB2 17 TYR HA 3.00 # 452 1.4827 17 TYR HB3 17 TYR HA 3.00 # 453 0.9995 18 TYR HB2 18 TYR HA 3.50 # 454 0.4787 18 TYR HB3 18 TYR HA 3.50 # 455 0.5662 19 PHE HB3 19 PHE HA 4.00 # 84 0.2441 19 PHE HB2 19 PHE HA 4.00 # 438 0.3530 20 ASN HB2 20 ASN HA 4.00 # 456 0.2854 20 ASN HB3 20 ASN HA 4.00 # 457 0.2346 21 HIS HB2 21 HIS HA 3.50 # 459 0.8734 22 ILE HB 22 ILE HA 4.00 # 460 0.3806 24 ASN HB2 24 ASN HA 3.50 # 461 0.6132 26 SER QB 26 SER HA 4.00 # 121 0.3155 2 protons 27 GLN QB 27 GLN HA 3.50 # 463 0.8542 2 protons 28 PHE HB3 28 PHE HA 3.50 # 465 0.5462 29 GLU HB2 29 GLU HA 3.50 # 466 0.5632 29 GLU HB3 29 GLU HA 4.00 # 467 0.4935 30 ARG QB 30 ARG HA 4.00 # 468 0.5259 2 protons # others 9 ARG HG2 9 ARG H 4.50 # 276 0.1317 9 ARG HG3 9 ARG H 4.50 # 277 0.2390 15 THR QG2 15 THR H 5.00 # 244 0.2152 16 VAL QG1 16 VAL H 5.00 # 262 0.2641 16 VAL QG2 16 VAL H 5.00 # 263 0.6573 17 TYR QD 17 TYR H 4.00 # 169,269 0.3612 17 TYR QE 17 TYR H 5.00 # 152,270 0.0272 very weak 17 TYR HB2 17 TYR QD 3.50 # 89 0.6783 17 TYR HB3 17 TYR QD 3.50 # 90 0.8474 18 TYR QD 18 TYR H 4.00 # 381 0.4434 18 TYR QE 18 TYR H 5.50 # 380 0.2197 18 TYR QD 18 TYR HA 4.00 # 375 0.4702 18 TYR QE 18 TYR HA 5.00 # 374 0.1860 19 PHE QD 19 PHE H 5.00 # 190,309 0.1820 28 PHE HB2 28 PHE QD 4.00 # 100,227 0.3541 ol 28 PHE HB3 28 PHE QD 4.00 # 101,228 0.5403 28 PHE QD 28 PHE H 4.00 # 232,284 0.2585 28 PHE QE 28 PHE HA 5.00 # 198 0.0757 003 very weak # sequential distance restraints # H/H: values of both cross peaks were mediated (in some cases not due to phasing problems) 6 TRP H 7 GLU H 5.00 # 13,14 0.3667 calibration peak 7 GLU H 8 LYS H 5.00 # 15,16 0.0651 calibration peak 8 LYS H 9 ARG H 4.50 # 17,18 0.1636 calibration peak 9 ARG H 10 MET H 4.50 # 19,20 0.0854 calibration peak 10 MET H 11 PHE H 5.00 # 253 0.0469 only 003 13 ASN H 14 GLY H 4.00 # 236,260 0.3482 14 GLY H 15 THR H 3.50 # 249,261 0.6093 15 THR H 16 VAL H 4.50 # 271 0.1261 17 TYR H 18 TYR H 4.50 # 21,22 0.1498 calibration peak 18 TYR H 19 PHE H 4.50 # 23,24 0.0785 calibration peak, only 003 19 PHE H 20 ASN H 5.00 # 25,26 0.0409 calibration peak 25 ALA H 26 SER H 5.00 # 27,28 0.1034 calibration peak, very weak 28 PHE H 29 GLU H 4.00 # 285 0.2699 # HA/H 5 GLY HA3 6 TRP H 4.00 # 471 0.1478 6 TRP HA 7 GLU H 3.00 # 1 0.9138 calibration peak 7 GLU HA 8 LYS H 3.00 # 2 1.3504 calibration peak 8 LYS HA 9 ARG H 3.00 # 3 2.7518 calibration peak, 003 ol, 004 slight ol 9 ARG HA 10 MET H 3.00 # 4 1.2490 calibration peak 10 MET HA 11 PHE H 3.00 # 476 1.5317 13 ASN HA 14 GLY H 4.00 # 259 0.2325 14 GLY HA2 15 THR H 4.00 # 130 0.2453 15 THR HA 16 VAL H 3.00 # 132 1.5824 16 VAL HA 15 THR H 5.00 # 248 0.0577 only 003 16 VAL HA 17 TYR H 3.00 # 5 1.4646 calibration peak, 004 slight ol 17 TYR HA 18 TYR H 3.00 # 6 1.5739 calibration peak ol? 18 TYR HA 19 PHE H 3.00 # 7 0.9833 calibration peak 19 PHE HA 20 ASN H 3.00 # 8 0.8932 calibration peak 21 HIS HA 22 ILE H 4.00 # 485 0.3187 22 ILE HA 23 THR H 4.00 # 487 0.1492 25 ALA HA 26 SER H 3.00 # 9 2.1920 calibration peak 26 SER HA 27 GLN H 3.50 # 10,11 0.6337 calibration peak 27 GLN HA 28 PHE H 3.50 # 12 0.4004 calibration peak, 004 H2O line 28 PHE HA 29 GLU H 5.00 # 494 0.0291 29 GLU HA 30 ARG H 3.00 # 496 1.3720 31 PRO HA 32 SER H 3.00 # 500 1.2915 32 SER HA 33 GLY H 3.50 # 501 0.8094 # HA/HA # -- # HB/H 9 ARG QB 10 MET H 5.00 # 53,251 0.3275 2 protons 10 MET HB2 11 PHE H 4.50 # 70,286 0.1225 10 MET HB3 11 PHE H 4.00 # 71,287 0.1705 11 PHE HB2 12 ALA H 5.00 # 297 0.0774 11 PHE HB3 12 ALA H 5.00 # 298 0.0812 12 ALA QB 13 ASN H 5.00 # 61,233 0.1426 15 THR HB 16 VAL H 4.00 # 133 0.3318 16 VAL HB 17 TYR H 4.50 # 268 0.2368 18 TYR HB2 19 PHE H 4.50 # 302 0.1716 19 PHE HB2 20 ASN H 4.50 # 96 0.1069 26 SER QB 27 GLN H 3.50 # 128,310 0.1634 2 protons 27 GLN QB 28 PHE H 5.00 # 281 0.2917 only 003, 2 protons 31 PRO HB3 32 SER H 4.50 # 329 0.2019 31 PRO HB2 32 SER H 4.50 # 330 0.1822 # HB/HA # 3 PRO HB2 2 LEU HA 3.62 # 349 0.1319 # 12 ALA QB 13 ASN HA 4.86 # 60 0.0838 # SC/SC # 2 LEU QD1 3 PRO HD2 4.85 # 333 0.0866 ol HE? # 2 LEU QD1 3 PRO HD3 5.37 # 334 0.0316 # 11 PHE HB3 12 ALA QB 4.99 # 117 0.0661 # 16 VAL QG1 17 TYR QD 4.93 # 58,154 0.0739 # 16 VAL QG2 17 TYR QD 5.28 # 59,155 0.0385 # 21 HIS HD2 22 ILE QD1 4.93 # 195 0.0744 # 22 ILE QG2 23 THR HB 4.80 # 320 0.0941 # 30 ARG QB 31 PRO HD3 4.44 # 356 0.1826 # 30 ARG QB 31 PRO HD3 4.42 # 357 0.1913 # 30 ARG HG2 31 PRO HD3 3.70 # 352 0.1130 # 30 ARG HG2 31 PRO HD2 4.02 # 353 0.0621 # 30 ARG HG3 31 PRO HD3 3.57 # 354 0.1434 # 30 ARG HG3 31 PRO HD2 3.57 # 355 0.1434 sic! 004 ol # others 8 LYS QG 9 ARG H 4.50 # 275 0.2723 2 protons 15 THR QG2 16 VAL H 5.00 # 65,266 0.4461 # 16 VAL QG1 15 THR HA 6.00 # 54 0.1242 16 VAL QG2 15 THR HA 5.40 # 55 0.4548 16 VAL QG1 17 TYR H 5.60 # 264 0.4631 16 VAL QG2 17 TYR H 4.00 # 265 0.4398 17 TYR QD 16 VAL HA 4.00 # 161 0.1778 17 TYR QD 18 TYR HA 4.50 # 163 0.0875 18 TYR QD 19 PHE H 5.00 # 308 0.0915 21 HIS HD2 22 ILE H 4.00 # 197 0.0645 21 HIS HD2 22 ILE HA 5.00 # 196 0.0280 22 ILE QG2 23 THR HA 5.00 # 319 0.3010 28 PHE QD 29 GLU H 5.40 # 230,254 0.0500 31 PRO HG2 32 SER H 5.00 # 318 0.0516 31 PRO HD3 30 ARG HA 4.00 # 498 0.6227 31 PRO HD2 30 ARG HA 4.00 # 499 0.6647 # long-range distances on turn side # BB/BB # 11 PHE H 13 ASN HA 6.00 # 291 0.3483 11 PHE H 15 THR H 5.00 # 250 0.0658 12 ALA HA 14 GLY H 4.00 # 258 0.3627 19 PHE HA 26 SER HA 4.00 # 31,32 0.2330 calibration peak # SC/BB 7 GLU HB2 19 PHE H 5.60 # 300 0.0888 9 ARG H 16 VAL QG1 5.00 # 273 0.1345 9 ARG H 16 VAL QG2 5.00 # 274 0.2672 slight ol 9 ARG H 17 TYR QD 5.00 # 170 0.0660 9 ARG H 18 TYR QD 5.50 # 278 0.0505 9 ARG H 18 TYR QE 5.50 # 279 0.0234 10 MET HA 16 VAL QG1 6.00 # 56 0.1578 10 MET HA 16 VAL QG2 5.00 # 57 0.2385 10 MET H 17 TYR QE 5.60 # 150 0.0068 11 PHE H 15 THR HB 4.50 # 290 0.0925 11 PHE H 17 TYR QE 5.00 # 151,292 0.0401 11 PHE HB2 15 THR H 4.50 # 246 0.1971 only 003 11 PHE HB3 15 THR H 4.00 # 116,245 0.1410 12 ALA QB 14 GLY H 5.60 # 255 0.0403 17 TYR QD 19 PHE HA 5.00 # 164 0.0361 17 TYR QD 26 SER HA 4.00 # 165 0.2250 17 TYR QD 27 GLN H 4.50 # 173,312 0.1040 17 TYR QE 19 PHE H 5.00 # 307 0.0534 19 PHE HB2 26 SER HA 4.50 # 95 0.1388 19 PHE HZ 24 ASN H 4.20 # 204 0.1298 # SC/SC 9 ARG QB 17 TYR QD 5.60 # 153 0.1206 2 protons 9 ARG QB 17 TYR QE 5.00 # 52,136 0.0655 2 protons, 004 stronger # 9 ARG QB 19 PHE QD 6.00 # 179 0.1158 2 protons 9 ARG HG2 17 TYR QD 6.00 # 156 0.0014 very weak 9 ARG HG2 19 PHE QD 5.00 # 178 0.2012 11 PHE QD 17 TYR QD 5.00 # 166,218 0.2863 11 PHE HB2 15 THR HB 4.00 # 104 0.2485 11 PHE HB3 15 THR HB 4.00 # 105 0.1480 15 THR QG2 17 TYR QD 6.00 # 67,157 0.0254 15 THR QG2 28 PHE QD 5.00 # 64,224 0.1788 15 THR QG2 28 PHE QE 5.60 # 63,199 0.1081 15 THR QG2 28 PHE HZ 6.00 # 62,222 0.0265 17 TYR HB2 28 PHE QD 3.50 # 91,225 0.1977 17 TYR HB3 28 PHE QE 5.00 # 200 0.0327 17 TYR QD 19 PHE HB3 5.60 # 158 0.0544 17 TYR QD 26 SER QB 4.00 # 122,159 0.2462 2 protons 17 TYR QE 19 PHE QD 4.50 # 147,188 0.0873 17 TYR QE 19 PHE HB2 4.00 # 94 0.2634 004 stronger 17 TYR QE 26 SER QB 4.50 # 120,143 0.0882 2 protons 19 PHE QD 21 HIS HB3 4.00 # 180 0.5108 19 PHE QD 21 HIS HB2 4.50 # 181 0.2029 19 PHE QE 21 HIS HB3 3.00 # 182 0.4349 19 PHE QE 21 HIS HB2 4.50 # 183 0.1096 # long-range distances on beta sheet side # BB/BB 7 GLU H 19 PHE H 4.00 # 40,41 0.1755 calibration peak 7 GLU H 18 TYR HA 4.50 # 34 0.1277 calibration peak, only 003 7 GLU H 20 ASN HA 4.00 # 33 0.2343 calibration peak 8 LYS HA 19 PHE H 4.50 # 36 0.0696 calibration peak 9 ARG H 17 TYR H 4.00 # 42,43 0.2961 calibration peak 9 ARG H 18 TYR HA 4.00 # 35 0.2924 calibration peak 9 ARG H 19 PHE H 5.00 # 44,45 0.0538 calibration peak 18 TYR H 27 GLN H 4.50 # 46,47 0.1492 calibration peak, slight ol 19 PHE HA 27 GLN H 5.00 # 39 0.0654 calibration peak 20 ASN H 26 SER HA 4.50 # 37,38 0.1566 calibration peak # SC/BB # 4 PRO HA 22 ILE QD1 6.00 # 323 0.0402 5 GLY H 22 ILE QD1 6.00 # 331 0.0479 004 vw 5 GLY HA2 22 ILE QD1 5.00 # 321 0.2683 5 GLY HA3 22 ILE QD1 5.00 # 322 0.3178 # 6 TRP H 2 LEU QD1 6.00 # 341 0.0686 6 TRP HA 2 LEU QD1 6.00 # 338 0.0756 7 GLU H 2 LEU QD1 6.00 # 342 0.0477 # 7 GLU HA 2 LEU QD2 5.60 # 335 0.0615 # 7 GLU HA 2 LEU QD1 6.00 # 336 0.4488 8 LYS H 18 TYR QD 5.00 # 379 0.0554 8 LYS H 18 TYR QE 5.00 # 378 0.0659 # 19 PHE H 6 TRP HE3 4.00 # 405 0.2158 # 19 PHE HA 6 TRP HE3 5.00 # 403 0.0620 # 20 ASN H 6 TRP HE3 4.00 # 404 0.3136 20 ASN H 25 ALA QB 5.00 # 348 0.1523 25 ALA H 20 ASN HB2 4.00 # 382 0.2835 25 ALA H 20 ASN HB3 4.00 # 383 0.3831 27 GLN H 6 TRP HH2 4.50 # 393 0.1056 30 ARG H 18 TYR QD 5.60 # 377 0.0627 30 ARG HA 18 TYR QD 4.00 # 373 0.2656 ol 004 30 ARG HA 18 TYR QE 4.00 # 372 0.2702 ol 004 # SC/SC 2 LEU HG 18 TYR QE 5.60 # 369 0.0928 2 LEU QD2 18 TYR QD 5.00 # 325,363 0.6024 2 LEU QD2 18 TYR QE 5.50 # 324,362 0.8047 2 LEU QD1 6 TRP HB3 5.60 # 332 0.1361 2 LEU QD1 18 TYR QD 5.00 # 340 0.5093 2 LEU QD1 18 TYR QE 5.60 # 339 0.4583 # 3 PRO HB2 6 TRP HD1 4.00 # 389 0.1526 # 3 PRO HG3 6 TRP HD1 4.50 # 350,388 0.1312 # 3 PRO HG2 6 TRP HD1 4.00 # 351 0.4887 # 3 PRO HD3 31 PRO HG2 6.00 # 317 0.1283 # 4 PRO HD2 6 TRP HD1 5.60 # 390 0.0269 # 4 PRO HD3 6 TRP HD1 6.00 # 391 0.0289 # 6 TRP HE1 3 PRO HB2 4.50 # 408 0.0846 # 6 TRP HE1 3 PRO HB3 5.00 # 411 0.0632 # 6 TRP HE1 3 PRO HG3 5.00 # 409 0.0562 # 6 TRP HE1 31 PRO HB3 5.00 # 406 0.0672 # 6 TRP HE1 31 PRO HB2 5.50 # 407 0.1186 # 6 TRP HD1 31 PRO HB2 5.00 # 326 0.0872 # 6 TRP HD1 31 PRO HG3 5.00 # 315 0.0932 # 6 TRP HE3 18 TYR QD 5.00 # 376 0.2362 # 6 TRP HE3 31 PRO HG3 4.50 # 316,395 0.1170 # 6 TRP HE3 31 PRO HG2 5.00 # 397 0.0755 # 6 TRP HE3 31 PRO HD3 5.60 # 402 0.0614 # 6 TRP HZ3 25 ALA QB 5.00 # 345,387 0.2262 # 6 TRP HH2 20 ASN HB2 4.50 # 384 0.1437 # 6 TRP HH2 20 ASN HB3 6.00 # 385 0.0667 # 6 TRP HH2 25 ALA QB 5.00 # 346,386 0.3621 # 6 TRP HZ2 25 ALA QB 5.00 # 401 0.2082 # 6 TRP HZ2 20 ASN HB2 4.50 # 394 0.1562 # 6 TRP HZ2 25 ALA QB 5.60 # 347 0.0867 # 6 TRP HZ2 31 PRO HB3 4.50 # 327,399 0.1843 # 6 TRP HZ2 31 PRO HB2 5.60 # 328,400 0.1286 # 6 TRP HZ2 31 PRO HG3 5.50 # 396 0.0996 # 6 TRP HZ2 31 PRO HG2 6.00 # 398 0.0714 18 TYR QD 30 ARG QB 5.00 # 368 0.1773 2 protons 18 TYR QE 30 ARG QB 5.00 # 367 0.2665 2 protons 18 TYR QE 30 ARG HG3 5.60 # 366 0.0474 18 TYR QD 31 PRO HG3 4.50 # 314,360 0.1089 18 TYR QD 31 PRO HG2 5.00 # 361 0.0549 18 TYR QE 31 PRO HG3 5.60 # 313 0.0541 18 TYR QD 31 PRO HD3 4.50 # 359,371 0.1983 18 TYR QE 31 PRO HD3 4.50 # 358,370 0.1320 20 ASN HB2 25 ALA QB 5.00 # 343 0.2163 23 THR HB 25 ALA QB 5.60 # 392 0.0919 23 THR HG1 25 ALA QB 5.60 # 344 0.2717 yes it?s the OH
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