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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640092 |
6rrl   |
34401 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
# Restraints file 1: noesy.upl 3 ILE HG13 4 MET H 5.27 #peak 2 #plist 1 3 ILE HG12 4 MET H 4.97 #peak 4 #plist 1 3 ILE HA 3 ILE QG2 3.30 #peak 10 #plist 1 8 ARG QB 8 ARG QD 3.66 #peak 31 #plist 1 2 ARG HA 2 ARG QD 4.73 #peak 39 #plist 1 11 LYS H 11 LYS QG 4.72 #peak 58 #plist 1 10 LEU H 11 LYS H 3.76 #peak 59 #plist 1 9 VAL HA 11 LYS H 4.76 #peak 60 #plist 1 10 LEU HB3 11 LYS H 4.30 #peak 63 #plist 1 11 LYS H 11 LYS QB 3.55 #peak 64 #plist 1 11 LYS H 11 LYS HD3 4.33 #peak 65 #plist 1 10 LEU HA 11 LYS H 3.44 #peak 66 #plist 1 11 LYS H 11 LYS HD2 4.41 #peak 68 #plist 1 11 LYS H 11 LYS QZ 5.18 #peak 69 #plist 1 10 LEU HG 11 LYS H 4.70 #peak 70 #plist 1 6 ILE HA 9 VAL QG2 3.75 #peak 82 #plist 1 9 VAL HA 9 VAL QG2 3.38 #peak 85 #plist 1 4 MET HG3 4 MET QE 3.24 #peak 90 #plist 1 4 MET HG2 4 MET QE 3.68 #peak 92 #plist 1 4 MET HA 4 MET QE 3.38 #peak 94 #plist 1 4 MET H 4 MET QE 3.88 #peak 95 #plist 1 3 ILE QD1 4 MET HG3 4.63 #peak 100 #plist 1 4 MET H 4 MET HG3 4.47 #peak 104 #plist 1 6 ILE HA 6 ILE QG2 3.32 #peak 105 #plist 1 6 ILE QG2 6 ILE HG13 3.58 #peak 109 #plist 1 4 MET HB3 4 MET QE 2.40 #peak 121 #plist 1 3 ILE QG2 3 ILE HG12 2.55 #peak 133 #plist 1 2 ARG HG3 3 ILE H 5.07 #peak 142 #plist 1 2 ARG HA 2 ARG HG3 4.10 #peak 145 #plist 1 9 VAL QG2 10 LEU H 4.23 #peak 147 #plist 1 6 ILE QG2 10 LEU H 4.97 #peak 148 #plist 1 8 ARG HA 10 LEU H 4.78 #peak 151 #plist 1 7 LEU HA 10 LEU H 4.59 #peak 152 #plist 1 10 LEU H 10 LEU HB3 3.85 #peak 155 #plist 1 9 VAL QG1 10 LEU H 4.30 #peak 156 #plist 1 9 VAL HB 10 LEU H 4.19 #peak 159 #plist 1 10 LEU H 10 LEU HB2 3.39 #peak 160 #plist 1 10 LEU H 10 LEU HG 3.52 #peak 162 #plist 1 2 ARG HB3 2 ARG HE 4.44 #peak 169 #plist 1 10 LEU H 10 LEU QD2 4.06 #peak 171 #plist 1 10 LEU HB3 10 LEU QD2 3.20 #peak 173 #plist 1 10 LEU HA 10 LEU QD2 3.02 #peak 174 #plist 1 10 LEU HB2 10 LEU QD2 3.71 #peak 175 #plist 1 4 MET HA 7 LEU HB2 3.99 #peak 183 #plist 1 1 PHE QD 3 ILE HA 4.03 #peak 186 #plist 1 1 PHE QD 3 ILE HG12 4.70 #peak 187 #plist 1 1 PHE QD 6 ILE HG13 4.44 #peak 190 #plist 1 1 PHE QD 3 ILE QD1 3.63 #peak 191 #plist 1 1 PHE HA 1 PHE QD 3.82 #peak 192 #plist 1 1 PHE QD 6 ILE QD1 4.26 #peak 194 #plist 1 1 PHE QD 3 ILE HB 4.23 #peak 195 #plist 1 5 ARG HA 5 ARG HG3 4.16 #peak 196 #plist 1 7 LEU HB2 7 LEU HG 2.80 #peak 213 #plist 1 7 LEU HA 7 LEU HG 3.97 #peak 215 #plist 1 8 ARG HA 8 ARG HG2 4.12 #peak 221 #plist 1 2 ARG HB2 5 ARG HA 4.71 #peak 229 #plist 1 2 ARG HB2 2 ARG HE 3.77 #peak 231 #plist 1 3 ILE HA 6 ILE H 4.76 #peak 238 #plist 1 6 ILE H 6 ILE QG2 3.88 #peak 241 #plist 1 6 ILE H 7 LEU H 3.70 #peak 243 #plist 1 6 ILE H 6 ILE HG13 4.09 #peak 244 #plist 1 4 MET HA 6 ILE H 4.88 #peak 245 #plist 1 6 ILE H 6 ILE HB 3.36 #peak 246 #plist 1 6 ILE H 6 ILE HG12 3.77 #peak 247 #plist 1 4 MET H 6 ILE H 5.46 #peak 250 #plist 1 7 LEU H 7 LEU HB2 3.44 #peak 271 #plist 1 7 LEU H 7 LEU HG 3.43 #peak 272 #plist 1 7 LEU H 7 LEU HB3 3.78 #peak 276 #plist 1 4 MET HA 7 LEU H 4.12 #peak 277 #plist 1 6 ILE HB 7 LEU H 3.73 #peak 278 #plist 1 7 LEU H 7 LEU QD2 3.95 #peak 279 #plist 1 7 LEU H 7 LEU QD1 3.73 #peak 280 #plist 1 12 LEU H 12 LEU HB3 3.89 #peak 281 #plist 1 11 LYS H 12 LEU H 3.77 #peak 283 #plist 1 10 LEU H 12 LEU H 5.25 #peak 284 #plist 1 12 LEU H 12 LEU HB2 3.56 #peak 286 #plist 1 11 LYS QB 12 LEU H 4.19 #peak 287 #plist 1 12 LEU H 12 LEU HG 3.67 #peak 289 #plist 1 11 LYS HA 12 LEU H 3.33 #peak 290 #plist 1 12 LEU H 12 LEU QD1 4.43 #peak 291 #plist 1 1 PHE QE 3 ILE QD1 4.71 #peak 294 #plist 1 1 PHE QE 6 ILE QD1 5.23 #peak 297 #plist 1 12 LEU HB2 12 LEU QD1 3.40 #peak 304 #plist 1 7 LEU HB3 7 LEU QD2 3.77 #peak 310 #plist 1 5 ARG HA 5 ARG HE 5.17 #peak 312 #plist 1 5 ARG QB 5 ARG HE 4.22 #peak 315 #plist 1 11 LYS H 11 LYS QE 5.50 #peak 328 #plist 1 2 ARG H 2 ARG QD 5.50 #peak 345 #plist 1 2 ARG H 2 ARG HG3 5.08 #peak 346 #plist 1 2 ARG H 2 ARG HE 5.50 #peak 347 #plist 1 2 ARG H 3 ILE H 4.80 #peak 350 #plist 1 2 ARG H 2 ARG HG2 4.76 #peak 351 #plist 1 1 PHE QB 2 ARG H 5.05 #peak 355 #plist 1 9 VAL HA 9 VAL QG1 3.42 #peak 366 #plist 1 11 LYS QB 11 LYS QE 5.12 #peak 373 #plist 1 3 ILE HA 3 ILE QD1 3.01 #peak 379 #plist 1 4 MET HB2 4 MET QE 2.40 #peak 390 #plist 1 3 ILE QG2 4 MET HG2 4.27 #peak 400 #plist 1 3 ILE QG2 3 ILE QD1 2.40 #peak 401 #plist 1 3 ILE QG2 3 ILE HG13 3.08 #peak 404 #plist 1 3 ILE QG2 5 ARG H 4.68 #peak 407 #plist 1 3 ILE H 3 ILE HG12 4.18 #peak 410 #plist 1 2 ARG HB2 3 ILE H 4.90 #peak 412 #plist 1 3 ILE H 3 ILE QD1 2.96 #peak 414 #plist 1 3 ILE H 3 ILE QG2 3.15 #peak 415 #plist 1 2 ARG HG2 3 ILE H 5.30 #peak 417 #plist 1 2 ARG HA 3 ILE H 3.25 #peak 419 #plist 1 3 ILE H 3 ILE HG13 4.30 #peak 420 #plist 1 3 ILE H 3 ILE HB 3.47 #peak 421 #plist 1 2 ARG HB2 2 ARG HG2 2.61 #peak 425 #plist 1 11 LYS QB 11 LYS HD3 4.20 #peak 434 #plist 1 11 LYS HA 11 LYS HD3 4.49 #peak 436 #plist 1 5 ARG QB 5 ARG HD2 4.18 #peak 457 #plist 1 2 ARG HB3 3 ILE H 4.15 #peak 464 #plist 1 12 LEU HB3 12 LEU QD2 3.67 #peak 468 #plist 1 12 LEU HA 12 LEU QD2 3.16 #peak 469 #plist 1 12 LEU H 12 LEU QD2 4.29 #peak 470 #plist 1 12 LEU HB2 12 LEU QD2 3.86 #peak 471 #plist 1 5 ARG HA 5 ARG HG2 4.01 #peak 475 #plist 1 1 PHE HA 1 PHE QE 5.50 #peak 484 #plist 1 8 ARG H 8 ARG QB 3.15 #peak 488 #plist 1 5 ARG HA 8 ARG H 4.13 #peak 489 #plist 1 8 ARG H 8 ARG HG2 3.95 #peak 491 #plist 1 8 ARG H 9 VAL H 3.67 #peak 494 #plist 1 8 ARG H 8 ARG HG3 4.11 #peak 495 #plist 1 8 ARG H 8 ARG HE 5.04 #peak 496 #plist 1 8 ARG H 8 ARG QD 4.76 #peak 497 #plist 1 2 ARG HA 2 ARG HE 5.50 #peak 500 #plist 1 12 LEU HA 12 LEU HG 4.17 #peak 508 #plist 1 12 LEU HB2 12 LEU HG 2.40 #peak 510 #plist 1 8 ARG QB 9 VAL H 3.76 #peak 522 #plist 1 9 VAL H 9 VAL QG2 3.35 #peak 523 #plist 1 9 VAL H 10 LEU H 3.44 #peak 524 #plist 1 8 ARG HG2 9 VAL H 4.67 #peak 526 #plist 1 7 LEU HA 9 VAL H 4.71 #peak 527 #plist 1 9 VAL H 9 VAL QG1 3.77 #peak 529 #plist 1 9 VAL H 9 VAL HB 3.56 #peak 532 #plist 1 7 LEU QD2 9 VAL H 4.91 #peak 533 #plist 1 8 ARG HG3 9 VAL H 4.83 #peak 534 #plist 1 11 LYS HA 11 LYS QE 5.50 #peak 538 #plist 1 6 ILE QG2 6 ILE HG12 3.98 #peak 553 #plist 1 11 LYS HA 11 LYS HD2 4.35 #peak 564 #plist 1 6 ILE HA 9 VAL HB 4.62 #peak 574 #plist 1 1 PHE QB 3 ILE QG2 4.80 #peak 584 #plist 1 7 LEU HB2 7 LEU QD2 3.62 #peak 587 #plist 1 7 LEU HA 7 LEU QD2 3.13 #peak 589 #plist 1 3 ILE HA 6 ILE QD1 4.29 #peak 595 #plist 1 6 ILE HA 6 ILE QD1 4.13 #peak 596 #plist 1 6 ILE QG2 6 ILE QD1 2.40 #peak 597 #plist 1 6 ILE H 6 ILE QD1 4.53 #peak 599 #plist 1 6 ILE HB 6 ILE QD1 3.83 #peak 602 #plist 1 8 ARG HA 8 ARG HG3 4.07 #peak 606 #plist 1 7 LEU HA 10 LEU HB2 4.56 #peak 615 #plist 1 3 ILE HB 3 ILE QD1 2.48 #peak 624 #plist 1 3 ILE HA 5 ARG H 4.78 #peak 630 #plist 1 4 MET HG3 5 ARG H 5.50 #peak 632 #plist 1 4 MET HB3 5 ARG H 4.29 #peak 633 #plist 1 5 ARG H 5 ARG HG3 4.25 #peak 634 #plist 1 5 ARG H 6 ILE H 3.66 #peak 635 #plist 1 5 ARG H 5 ARG HE 5.50 #peak 636 #plist 1 4 MET HG2 5 ARG H 5.50 #peak 637 #plist 1 4 MET HB2 5 ARG H 4.55 #peak 638 #plist 1 5 ARG H 5 ARG QB 3.34 #peak 641 #plist 1 5 ARG H 5 ARG HG2 4.26 #peak 642 #plist 1 5 ARG H 5 ARG HD3 5.37 #peak 646 #plist 1 4 MET H 4 MET HB3 3.87 #peak 650 #plist 1 4 MET H 4 MET HG2 4.00 #peak 652 #plist 1 3 ILE QD1 4 MET H 3.10 #peak 653 #plist 1 4 MET H 4 MET HB2 3.69 #peak 654 #plist 1 3 ILE QG2 4 MET H 3.34 #peak 655 #plist 1 3 ILE HB 4 MET H 3.95 #peak 657 #plist 1 4 MET H 5 ARG H 3.93 #peak 658 #plist 1 10 LEU H 10 LEU QD1 4.13 #peak 660 #plist 1 7 LEU HA 10 LEU QD1 4.02 #peak 662 #plist 1 10 LEU HB3 10 LEU QD1 3.33 #peak 663 #plist 1 10 LEU HA 10 LEU QD1 4.01 #peak 664 #plist 1 10 LEU HB2 10 LEU QD1 3.33 #peak 665 #plist 1 8 ARG QB 8 ARG HE 4.55 #peak 668 #plist 1 8 ARG HA 8 ARG HE 5.50 #peak 669 #plist 1 11 LYS QG 11 LYS QZ 5.50 #peak 676 #plist 1 11 LYS QB 11 LYS QZ 5.50 #peak 678 #plist 1 11 LYS HA 11 LYS QZ 5.50 #peak 680 #plist 1 7 LEU HB2 7 LEU QD1 3.27 #peak 683 #plist 1 7 LEU HA 7 LEU QD1 4.10 #peak 685 #plist 1 7 LEU HB3 7 LEU QD1 3.29 #peak 687 #plist 1 4 MET HA 7 LEU QD1 3.54 #peak 688 #plist 1 5 ARG HA 5 ARG HD2 4.89 #peak 691 #plist 1 5 ARG H 5 ARG HD2 5.50 #peak 696 #plist 1 5 ARG HA 5 ARG HD3 4.57 #peak 699 #plist 1 5 ARG QB 5 ARG HD3 4.08 #peak 702 #plist 1 8 ARG HA 8 ARG QD 4.25 #peak 708 #plist 1 12 LEU HB3 12 LEU QD1 3.33 #peak 714 #plist 1 12 LEU HA 12 LEU QD1 4.39 #peak 715 #plist 1 10 LEU HA 10 LEU HG 4.23 #peak 725 #plist 1 # Restraints file 2: chi.aco 6 ILE CHI1 -90 -30 7 LEU CHI1 -90 -30 7 LEU CHI2 150 210 9 VAL CHI1 150 210 #10 LEU CHI1 -90 -30 #10 LEU CHI2 150 210 3 ILE CHI1 -90 -30 #6 ILE CHI12 150 210# Restraints file 3: hbond.lol 1 PHE O 3 ILE H 1.70 9.00E+00 1 PHE C 3 ILE H 2.60 9.00E+00 1 PHE O 3 ILE N 2.60 9.00E+00 3 ILE O 6 ILE H 1.70 9.00E+00 3 ILE C 6 ILE H 2.60 9.00E+00 3 ILE O 6 ILE N 2.60 9.00E+00 3 ILE O 7 LEU H 1.70 9.00E+00 3 ILE C 7 LEU H 2.60 9.00E+00 3 ILE O 7 LEU N 2.60 9.00E+00 6 ILE O 9 VAL H 1.70 9.00E+00 6 ILE C 9 VAL H 2.60 9.00E+00 6 ILE O 9 VAL N 2.60 9.00E+00 4 MET O 8 ARG H 1.70 9.00E+00 4 MET C 8 ARG H 2.60 9.00E+00 4 MET O 8 ARG N 2.60 9.00E+00 7 LEU O 10 LEU H 1.70 9.00E+00 7 LEU C 10 LEU H 2.60 9.00E+00 7 LEU O 10 LEU N 2.60 9.00E+00 8 ARG O 11 LYS H 1.70 9.00E+00 8 ARG C 11 LYS H 2.60 9.00E+00 8 ARG O 11 LYS N 2.60 9.00E+00 # Restraints file 4: hbond.upl 1 PHE O 3 ILE H 2.20 9.00E+00 1 PHE C 3 ILE H 3.30 9.00E+00 1 PHE O 3 ILE N 3.30 9.00E+00 3 ILE O 6 ILE H 2.20 9.00E+00 3 ILE C 6 ILE H 3.30 9.00E+00 3 ILE O 6 ILE N 3.30 9.00E+00 3 ILE O 7 LEU H 2.20 9.00E+00 3 ILE C 7 LEU H 3.30 9.00E+00 3 ILE O 7 LEU N 3.30 9.00E+00 6 ILE O 9 VAL H 2.20 9.00E+00 6 ILE C 9 VAL H 3.30 9.00E+00 6 ILE O 9 VAL N 3.30 9.00E+00 4 MET O 8 ARG H 2.20 9.00E+00 4 MET C 8 ARG H 3.30 9.00E+00 4 MET O 8 ARG N 3.30 9.00E+00 7 LEU O 10 LEU H 2.20 9.00E+00 7 LEU C 10 LEU H 3.30 9.00E+00 7 LEU O 10 LEU N 3.30 9.00E+00 8 ARG O 11 LYS H 2.20 9.00E+00 8 ARG C 11 LYS H 3.30 9.00E+00 8 ARG O 11 LYS N 3.30 9.00E+00
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