NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11043 | 1qtg | 4540 | cing | 1-original | 4 | STAR | chemical shift |
# The atom table chosen for this sequence is: loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code # #Atom Residue #shift Seq Residue Atom Atom Shift/ Error/ Ambiguity #assign code Label Name Type ppm ppm Code #--------------------------------------------------------------- # 15 2 LYS HA H 4.52 0.02 1 16 2 LYS HB2 H 1.88 0.02 2 17 2 LYS HB3 H 1.94 0.02 2 33 3 GLY H H 8.66 0.02 1 34 3 GLY HA2 H 4.09 0.02 2 35 3 GLY HA3 H 4.09 0.02 2 38 3 GLY N N 110.86 0.10 1 39 4 MET H H 8.38 0.02 1 40 4 MET HA H 4.65 0.02 1 41 4 MET HB2 H 2.12 0.02 2 42 4 MET HB3 H 2.21 0.02 2 43 4 MET HG2 H 2.69 0.02 2 44 4 MET HG3 H 2.69 0.02 2 51 4 MET N N 120.11 0.10 1 52 5 SER H H 8.55 0.02 1 53 5 SER HA H 4.55 0.02 1 54 5 SER HB2 H 3.99 0.02 2 55 5 SER HB3 H 3.99 0.02 2 60 5 SER N N 118.36 0.10 1 61 6 LYS H H 8.44 0.02 1 62 6 LYS HA H 4.46 0.02 1 63 6 LYS HB2 H 1.85 0.02 2 64 6 LYS HB3 H 1.95 0.02 2 65 6 LYS HG2 H 1.55 0.02 2 66 6 LYS HG3 H 1.55 0.02 2 69 6 LYS HE2 H 3.11 0.02 2 70 6 LYS HE3 H 3.11 0.02 2 78 6 LYS N N 123.14 0.10 1 80 7 MET H H 8.54 0.02 1 81 7 MET HA H 4.89 0.02 1 82 7 MET HB2 H 1.95 0.02 2 83 7 MET HB3 H 2.09 0.02 2 84 7 MET HG2 H 2.66 0.02 2 85 7 MET HG3 H 2.66 0.02 2 92 7 MET N N 123.15 0.10 1 93 8 PRO HA H 4.58 0.02 1 94 8 PRO HB2 H 1.80 0.02 2 95 8 PRO HB3 H 2.60 0.02 2 96 8 PRO HG2 H 1.98 0.02 2 97 8 PRO HG3 H 2.26 0.02 2 98 8 PRO HD2 H 3.66 0.02 2 99 8 PRO HD3 H 4.09 0.02 2 106 9 GLN H H 8.83 0.02 1 107 9 GLN HA H 4.12 0.02 1 108 9 GLN HB2 H 2.24 0.02 2 109 9 GLN HB3 H 2.24 0.02 2 110 9 GLN HG2 H 2.56 0.02 2 111 9 GLN HG3 H 2.56 0.02 2 112 9 GLN HE21 H 7.00 0.02 2 113 9 GLN HE22 H 7.66 0.02 2 119 9 GLN N N 124.13 0.10 1 120 9 GLN NE2 N 112.45 0.10 1 121 10 PHE H H 8.32 0.02 1 122 10 PHE HA H 4.24 0.02 1 123 10 PHE HB2 H 2.24 0.02 2 124 10 PHE HB3 H 3.46 0.02 2 125 10 PHE HD1 H 6.86 0.02 3 126 10 PHE HD2 H 6.86 0.02 3 127 10 PHE HE1 H 7.21 0.02 3 128 10 PHE HE2 H 7.21 0.02 3 129 10 PHE HZ H 7.22 0.02 1 139 10 PHE N N 118.46 0.10 1 140 11 LEU H H 7.18 0.02 1 141 11 LEU HA H 3.44 0.02 1 142 11 LEU HB2 H 1.26 0.02 2 143 11 LEU HB3 H 1.26 0.02 2 144 11 LEU HG H 0.75 0.02 1 145 11 LEU HD1 H 0.53 0.02 2 146 11 LEU HD2 H -0.31 0.02 2 153 11 LEU N N 115.20 0.10 1 154 12 ASN H H 7.62 0.02 1 155 12 ASN HA H 4.39 0.02 1 156 12 ASN HB2 H 2.82 0.02 2 157 12 ASN HB3 H 2.97 0.02 2 158 12 ASN HD21 H 6.90 0.02 2 159 12 ASN HD22 H 7.59 0.02 2 164 12 ASN N N 116.78 0.10 1 165 12 ASN ND2 N 110.87 0.10 1 166 13 ARG H H 9.05 0.02 1 167 13 ARG HA H 4.06 0.02 1 168 13 ARG HB2 H 2.00 0.02 2 169 13 ARG HB3 H 2.12 0.02 2 170 13 ARG HG2 H 1.86 0.02 2 171 13 ARG HG3 H 1.86 0.02 2 172 13 ARG HD2 H 3.37 0.02 2 173 13 ARG HD3 H 3.37 0.02 2 174 13 ARG HE H 7.64 0.02 1 185 13 ARG N N 127.06 0.10 1 186 13 ARG NE N 84.91 0.10 1 189 14 TRP H H 8.16 0.02 1 190 14 TRP HA H 4.74 0.02 1 191 14 TRP HB2 H 3.11 0.02 2 192 14 TRP HB3 H 3.41 0.02 2 193 14 TRP HD1 H 7.12 0.02 1 194 14 TRP HE1 H 10.43 0.02 1 195 14 TRP HE3 H 7.54 0.02 1 196 14 TRP HZ2 H 7.47 0.02 1 197 14 TRP HZ3 H 7.02 0.02 1 198 14 TRP HH2 H 7.13 0.02 1 210 14 TRP N N 124.20 0.10 1 211 14 TRP NE1 N 129.79 0.10 1 212 15 PRO HA H 4.59 0.02 1 213 15 PRO HB2 H 2.06 0.02 2 214 15 PRO HB3 H 2.68 0.02 2 215 15 PRO HG2 H 2.16 0.02 2 216 15 PRO HG3 H 2.32 0.02 2 217 15 PRO HD2 H 3.47 0.02 2 218 15 PRO HD3 H 3.79 0.02 2 225 16 ARG H H 9.05 0.02 1 226 16 ARG HA H 4.06 0.02 1 227 16 ARG HB2 H 2.00 0.02 2 228 16 ARG HB3 H 2.12 0.02 2 229 16 ARG HG2 H 1.86 0.02 2 230 16 ARG HG3 H 1.86 0.02 2 231 16 ARG HD2 H 3.37 0.02 2 232 16 ARG HD3 H 3.37 0.02 2 233 16 ARG HE H 7.64 0.02 1 244 16 ARG N N 127.06 0.10 1 245 16 ARG NE N 84.91 0.10 1 248 17 GLU H H 9.62 0.02 1 249 17 GLU HA H 4.29 0.02 1 250 17 GLU HB2 H 2.16 0.02 2 251 17 GLU HB3 H 2.16 0.02 2 252 17 GLU HG2 H 2.46 0.02 2 253 17 GLU HG3 H 2.46 0.02 2 259 17 GLU N N 116.85 0.10 1 260 18 VAL H H 7.33 0.02 1 261 18 VAL HA H 3.90 0.02 1 262 18 VAL HB H 2.47 0.02 1 263 18 VAL HG1 H 1.30 0.02 2 264 18 VAL HG2 H 1.30 0.02 2 270 18 VAL N N 118.47 0.10 1 271 19 LEU H H 8.25 0.02 1 272 19 LEU HA H 4.28 0.02 1 273 19 LEU HB2 H 1.78 0.02 2 274 19 LEU HB3 H 1.99 0.02 2 275 19 LEU HG H 1.88 0.02 1 276 19 LEU HD1 H 1.05 0.02 2 277 19 LEU HD2 H 1.05 0.02 2 284 19 LEU N N 121.70 0.10 1 285 20 ASP H H 8.92 0.02 1 286 20 ASP HA H 4.51 0.02 1 287 20 ASP HB2 H 2.70 0.02 2 288 20 ASP HB3 H 2.83 0.02 2 293 20 ASP N N 118.22 0.10 1 294 21 LEU H H 7.26 0.02 1 295 21 LEU HA H 4.21 0.02 1 296 21 LEU HB2 H 1.41 0.02 2 297 21 LEU HB3 H 1.59 0.02 2 298 21 LEU HG H 1.27 0.02 1 299 21 LEU HD1 H 0.43 0.02 2 300 21 LEU HD2 H 0.72 0.02 2 307 21 LEU N N 121.75 0.10 1 308 22 VAL H H 8.70 0.02 1 309 22 VAL HA H 3.90 0.02 1 310 22 VAL HB H 2.55 0.02 1 311 22 VAL HG1 H 1.29 0.02 1 312 22 VAL HG2 H 1.47 0.02 1 318 22 VAL N N 118.11 0.10 1 319 23 ARG H H 8.42 0.02 1 320 23 ARG HA H 4.03 0.02 1 321 23 ARG HB2 H 2.07 0.02 2 322 23 ARG HB3 H 2.07 0.02 2 323 23 ARG HG2 H 1.74 0.02 2 324 23 ARG HG3 H 1.96 0.02 2 325 23 ARG HD2 H 3.38 0.02 2 326 23 ARG HD3 H 3.38 0.02 2 327 23 ARG HE H 7.48 0.02 1 338 23 ARG N N 118.30 0.10 1 339 23 ARG NE N 84.04 0.10 1 342 24 LYS H H 7.97 0.02 1 343 24 LYS HA H 4.23 0.02 1 344 24 LYS HB2 H 2.10 0.02 2 345 24 LYS HB3 H 2.10 0.02 2 346 24 LYS HG2 H 1.51 0.02 2 347 24 LYS HG3 H 1.66 0.02 2 348 24 LYS HD2 H 1.79 0.02 2 349 24 LYS HD3 H 1.79 0.02 2 350 24 LYS HE2 H 3.06 0.02 2 351 24 LYS HE3 H 3.06 0.02 2 359 24 LYS N N 120.04 0.10 1 361 25 VAL H H 8.68 0.02 1 362 25 VAL HA H 3.99 0.02 1 363 25 VAL HB H 2.26 0.02 1 364 25 VAL HG1 H 1.17 0.02 1 365 25 VAL HG2 H 1.25 0.02 1 371 25 VAL N N 118.19 0.10 1 372 26 ALA H H 8.66 0.02 1 373 26 ALA HA H 4.34 0.02 1 374 26 ALA HB H 1.60 0.02 1 378 26 ALA N N 124.27 0.10 1 379 27 GLU H H 7.89 0.02 1 380 27 GLU HA H 4.23 0.02 1 381 27 GLU HB2 H 2.32 0.02 2 382 27 GLU HB3 H 2.41 0.02 2 383 27 GLU HG2 H 2.62 0.02 2 384 27 GLU HG3 H 2.62 0.02 2 390 27 GLU N N 116.74 0.10 1 391 28 GLU H H 8.33 0.02 1 392 28 GLU HA H 4.15 0.02 1 393 28 GLU HB2 H 2.20 0.02 2 394 28 GLU HB3 H 2.40 0.02 2 395 28 GLU HG2 H 2.69 0.02 2 396 28 GLU HG3 H 2.69 0.02 2 402 28 GLU N N 121.47 0.10 1 403 29 ASN H H 8.14 0.02 1 404 29 ASN HA H 4.15 0.02 1 405 29 ASN HB2 H 2.97 0.02 1 406 29 ASN HB3 H 2.97 0.02 1 407 29 ASN HD21 H 7.12 0.02 1 408 29 ASN HD22 H 8.38 0.02 1 413 29 ASN N N 115.46 0.10 1 414 29 ASN ND2 N 115.83 0.10 1 415 30 GLY H H 8.16 0.02 1 416 30 GLY HA2 H 4.09 0.02 2 417 30 GLY HA3 H 4.09 0.02 2 420 30 GLY N N 110.88 0.10 1 421 31 ARG H H 8.59 0.02 1 422 31 ARG HA H 5.01 0.02 1 423 31 ARG HB2 H 2.00 0.02 2 424 31 ARG HB3 H 2.09 0.02 2 425 31 ARG HG2 H 1.74 0.02 2 426 31 ARG HG3 H 1.74 0.02 2 427 31 ARG HD2 H 3.10 0.02 2 428 31 ARG HD3 H 3.43 0.02 2 429 31 ARG HE H 7.75 0.02 1 440 31 ARG N N 117.88 0.10 1 441 31 ARG NE N 84.50 0.10 1 444 32 SER H H 8.50 0.02 1 445 32 SER HA H 4.46 0.02 1 446 32 SER HB2 H 4.21 0.02 2 447 32 SER HB3 H 4.58 0.02 2 452 32 SER N N 114.49 0.10 1 453 33 VAL H H 9.01 0.02 1 454 33 VAL HA H 3.69 0.02 1 455 33 VAL HB H 2.26 0.02 1 456 33 VAL HG1 H 1.08 0.02 1 457 33 VAL HG2 H 1.25 0.02 1 463 33 VAL N N 121.42 0.10 1 464 34 ASN H H 8.55 0.02 1 465 34 ASN HA H 4.35 0.02 1 466 34 ASN HB2 H 2.76 0.02 2 467 34 ASN HB3 H 2.83 0.02 2 468 34 ASN HD21 H 6.77 0.02 2 469 34 ASN HD22 H 6.77 0.02 2 474 34 ASN N N 116.91 0.10 1 475 34 ASN ND2 N 112.72 0.10 1 476 35 SER H H 8.20 0.02 1 477 35 SER HA H 4.36 0.02 1 478 35 SER HB2 H 4.08 0.02 2 479 35 SER HB3 H 4.15 0.02 2 484 35 SER N N 114.41 0.10 1 485 36 GLU H H 8.76 0.02 1 486 36 GLU HA H 4.04 0.02 1 487 36 GLU HB2 H 2.24 0.02 2 488 36 GLU HB3 H 2.24 0.02 2 489 36 GLU HG2 H 2.45 0.02 2 490 36 GLU HG3 H 2.60 0.02 2 496 36 GLU N N 124.20 0.10 1 497 37 ILE H H 8.37 0.02 1 498 37 ILE HA H 3.76 0.02 1 499 37 ILE HB H 2.52 0.02 1 500 37 ILE HG12 H 1.46 0.02 1 501 37 ILE HG13 H 2.22 0.02 1 502 37 ILE HG2 H 1.41 0.02 1 503 37 ILE HD1 H 1.09 0.02 1 510 37 ILE N N 117.93 0.10 1 511 38 TYR H H 8.72 0.02 1 512 38 TYR HA H 3.45 0.02 1 513 38 TYR HB2 H 2.47 0.02 2 514 38 TYR HB3 H 2.84 0.02 2 515 38 TYR HD1 H 5.84 0.02 3 516 38 TYR HD2 H 5.84 0.02 3 517 38 TYR HE1 H 6.45 0.02 3 518 38 TYR HE2 H 6.45 0.02 3 529 38 TYR N N 119.93 0.10 1 530 39 GLN H H 8.60 0.02 1 531 39 GLN HA H 3.60 0.02 1 532 39 GLN HB2 H 2.19 0.02 2 533 39 GLN HB3 H 2.19 0.02 2 534 39 GLN HG2 H 2.45 0.02 2 535 39 GLN HG3 H 2.63 0.02 2 536 39 GLN HE21 H 6.83 0.02 2 537 39 GLN HE22 H 7.69 0.02 2 543 39 GLN N N 117.33 0.10 1 544 39 GLN NE2 N 111.32 0.10 1 545 40 ARG H H 7.75 0.02 1 546 40 ARG HA H 4.03 0.02 1 547 40 ARG HB2 H 1.82 0.02 2 548 40 ARG HB3 H 1.82 0.02 2 549 40 ARG HG2 H 1.72 0.02 2 550 40 ARG HG3 H 1.72 0.02 2 551 40 ARG HD2 H 2.72 0.02 2 552 40 ARG HD3 H 2.98 0.02 2 553 40 ARG HE H 9.46 0.02 1 564 40 ARG N N 118.12 0.10 1 565 40 ARG NE N 87.38 0.10 1 568 41 VAL H H 8.59 0.02 1 569 41 VAL HA H 3.40 0.02 1 570 41 VAL HB H 2.21 0.02 1 571 41 VAL HG1 H 0.91 0.02 1 572 41 VAL HG2 H 1.35 0.02 1 578 41 VAL N N 121.44 0.10 1 579 42 MET H H 8.95 0.02 1 580 42 MET HA H 4.22 0.02 1 581 42 MET HB2 H 1.69 0.02 2 582 42 MET HB3 H 1.83 0.02 2 583 42 MET HG2 H 1.99 0.02 2 584 42 MET HG3 H 1.99 0.02 2 591 42 MET N N 121.99 0.10 1 592 43 GLU H H 8.52 0.02 1 593 43 GLU HA H 4.08 0.02 1 594 43 GLU HB2 H 2.16 0.02 2 595 43 GLU HB3 H 2.16 0.02 2 596 43 GLU HG2 H 2.42 0.02 2 597 43 GLU HG3 H 2.50 0.02 2 603 43 GLU N N 119.37 0.10 1 604 44 SER H H 7.75 0.02 1 605 44 SER HA H 4.29 0.02 1 606 44 SER HB2 H 3.99 0.02 2 607 44 SER HB3 H 4.15 0.02 2 612 44 SER N N 116.46 0.10 1 613 45 PHE H H 7.61 0.02 1 614 45 PHE HA H 4.79 0.02 1 615 45 PHE HB2 H 3.23 0.02 2 616 45 PHE HB3 H 3.23 0.02 2 617 45 PHE HD1 H 7.37 0.02 3 618 45 PHE HD2 H 7.37 0.02 3 619 45 PHE HE1 H 7.23 0.02 3 620 45 PHE HE2 H 7.23 0.02 3 621 45 PHE HZ H 6.97 0.02 1 631 45 PHE N N 121.46 0.10 1 632 46 LYS H H 8.38 0.02 1 633 46 LYS HA H 4.37 0.02 1 634 46 LYS HB2 H 2.06 0.02 2 635 46 LYS HB3 H 2.06 0.02 2 636 46 LYS HG2 H 1.48 0.02 2 637 46 LYS HG3 H 1.68 0.02 2 638 46 LYS HD2 H 1.79 0.02 2 639 46 LYS HD3 H 1.79 0.02 2 640 46 LYS HE2 H 3.02 0.02 2 641 46 LYS HE3 H 3.02 0.02 2 649 46 LYS N N 122.87 0.10 1 651 47 LYS H H 8.50 0.02 1 652 47 LYS HA H 4.28 0.02 1 653 47 LYS HB2 H 2.03 0.02 2 654 47 LYS HB3 H 2.03 0.02 2 655 47 LYS HG2 H 1.62 0.02 2 656 47 LYS HG3 H 1.62 0.02 2 657 47 LYS HD2 H 1.80 0.02 2 658 47 LYS HD3 H 1.80 0.02 2 659 47 LYS HE2 H 3.10 0.02 2 660 47 LYS HE3 H 3.10 0.02 2 668 47 LYS N N 120.98 0.10 1 670 48 GLU H H 7.69 0.02 1 671 48 GLU HA H 4.44 0.02 1 672 48 GLU HB2 H 2.32 0.02 2 673 48 GLU HB3 H 2.32 0.02 2 674 48 GLU HG2 H 2.54 0.02 2 675 48 GLU HG3 H 2.64 0.02 2 681 48 GLU N N 116.96 0.10 1 682 49 GLY H H 8.14 0.02 1 683 49 GLY HA2 H 4.06 0.02 2 684 49 GLY HA3 H 4.18 0.02 2 687 49 GLY N N 108.01 0.10 1 688 50 ARG H H 8.15 0.02 1 689 50 ARG HA H 4.42 0.02 1 690 50 ARG HB2 H 1.75 0.02 2 691 50 ARG HB3 H 2.02 0.02 2 692 50 ARG HG2 H 1.76 0.02 2 693 50 ARG HG3 H 1.76 0.02 2 694 50 ARG HD2 H 3.19 0.02 2 695 50 ARG HD3 H 3.27 0.02 2 696 50 ARG HE H 7.67 0.02 1 707 50 ARG N N 117.36 0.10 1 708 50 ARG NE N 83.57 0.10 1 711 51 ILE H H 7.63 0.02 1 712 51 ILE HA H 4.33 0.02 1 713 51 ILE HB H 1.80 0.02 1 714 51 ILE HG12 H 1.14 0.02 2 715 51 ILE HG13 H 1.48 0.02 2 716 51 ILE HG2 H 0.92 0.02 1 717 51 ILE HD1 H 0.92 0.02 1 724 51 ILE N N 117.09 0.10 1 725 52 GLY H H 8.62 0.02 1 726 52 GLY HA2 H 3.98 0.02 2 727 52 GLY HA3 H 4.07 0.02 2 730 52 GLY N N 113.16 0.10 1 731 53 ALA H H 8.25 0.02 1 732 53 ALA HA H 4.33 0.02 1 733 53 ALA HB H 1.36 0.02 1 737 53 ALA N N 123.35 0.10 1 840 60 LYS H H 8.66 0.02 1 841 60 LYS HA H 4.37 0.02 1 842 60 LYS HB2 H 1.88 0.02 2 843 60 LYS HB3 H 1.88 0.02 2 844 60 LYS HG2 H 1.51 0.02 2 845 60 LYS HG3 H 1.51 0.02 2 846 60 LYS HD2 H 1.79 0.02 2 847 60 LYS HD3 H 1.79 0.02 2 848 60 LYS HE2 H 3.10 0.02 2 849 60 LYS HE3 H 3.10 0.02 2 857 60 LYS N N 123.36 0.10 1 859 61 ASN H H 8.74 0.02 1 860 61 ASN HA H 4.78 0.02 1 861 61 ASN HB2 H 2.91 0.02 2 862 61 ASN HB3 H 2.99 0.02 2 869 61 ASN N N 120.11 0.10 1 871 62 GLN H H 8.42 0.02 1 872 62 GLN HA H 4.39 0.02 1 873 62 GLN HB2 H 2.04 0.02 2 874 62 GLN HB3 H 2.14 0.02 2 875 62 GLN HG2 H 2.40 0.02 2 876 62 GLN HG3 H 2.40 0.02 2 884 62 GLN N N 120.18 0.10 1 886 63 HIS H H 8.57 0.02 1 887 63 HIS HA H 4.79 0.02 1 900 63 HIS N N 119.25 0.10 1 903 64 GLU H H 8.31 0.02 1 904 64 GLU HA H 4.26 0.02 1 905 64 GLU HB2 H 2.02 0.02 2 906 64 GLU HB3 H 2.20 0.02 2 907 64 GLU HG2 H 2.35 0.02 2 908 64 GLU HG3 H 2.35 0.02 2 914 64 GLU N N 127.55 0.10 1 stop_ # The following loop is used to define sets of Atom-shift assignment IDs that # represent related ambiguous assignments taken from the above list of # assigned chemical shifts. Each element in the set should be separated by a # comma, as shown in the example below, and is the assignment ID for a chemical # shift assignment that has been given as ambiguity code of 4 or 5. Each set # indicates that the observed chemical shifts are related to the defined # atoms, but have not been assigned uniquely to a specific atom in the set. loop_ _Atom_shift_assign_ID_ambiguity # # Sets of Atom-shift Assignment Ambiguities # # ------------------------------------------ # Example: 5,4,7 # @ stop_
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