NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473290 | 2nln | 7322 | cing | 1-original | 1 | unknown | chemical shift |
ATOM ID and chemical shift ID shift atom residue 1 0 N 1 2 0 H 1 3 57.120 CA 1 4 2.940 HA 1 5 63.020 CB 1 6 3.840 HB2 1 7 3.749 HB3 1 8 0 QB 1 9 0 HG 1 10 0 C 1 11 122.000 N 2 12 8.690 H 2 13 65.931 CA 2 14 3.480 HA 2 15 37.813 CB 2 16 1.542 HB 2 17 17.800 CG2 2 18 0.882 HG21 2 19 0.882 HG22 2 20 0.882 HG23 2 21 0 QG2 2 22 30.548 CG1 2 23 1.496 HG12 2 24 0.967 HG13 2 25 0 QG1 2 26 13.460 CD1 2 27 0.336 HD11 2 28 0.336 HD12 2 29 0.336 HD13 2 30 0 QD1 2 31 0 C 2 32 108.800 N 3 33 7.478 H 3 34 62.870 CA 3 35 4.580 HA 3 36 67.568 CB 3 37 4.530 HB 3 38 22.530 CG2 3 39 1.175 HG21 3 40 1.175 HG22 3 41 1.175 HG23 3 42 0 QG2 3 43 0 C 3 44 118.102 N 4 45 7.397 H 4 46 55.497 CA 4 47 4.748 HA 4 48 41.400 CB 4 49 2.840 HB2 4 50 2.840 HB3 4 51 0 QB 4 52 0 CG 4 53 0 HD2 4 54 0 C 4 55 119.024 N 5 56 7.475 H 5 57 63.305 CA 5 58 4.105 HA 5 59 41.004 CB 5 60 1.720 HB 5 61 18.300 CG2 5 62 1.062 HG21 5 63 1.062 HG22 5 64 1.062 HG23 5 65 0 QG2 5 66 27.500 CG1 5 67 1.636 HG12 5 68 1.080 HG13 5 69 0 QG1 5 70 14.700 CD1 5 71 1.007 HD11 5 72 1.007 HD12 5 73 1.007 HD13 5 74 0 QD1 5 75 0 C 5 76 117.884 N 6 77 7.927 H 6 78 53.229 CA 6 79 4.473 HA 6 80 43.600 CB 6 81 1.589 HB2 6 82 1.645 HB3 6 83 0 QB 6 84 27.200 CG 6 85 1.744 HG 6 86 0 QD1 6 87 0 QD2 6 88 22.400 CD1 6 89 0.944 HD11 6 90 0.944 HD12 6 91 0.944 HD13 6 92 1.046 HD21 6 93 1.046 HD22 6 94 1.046 HD23 6 95 25.700 CD2 6 96 0 QQD 6 97 0 C 6 98 113.900 N 7 99 8.663 H 7 100 56.554 CA 7 101 4.620 HA 7 102 63.733 CB 7 103 4.066 HB2 7 104 3.932 HB3 7 105 0 QB 7 106 0 HG 7 107 0 C 7 108 131.200 N 8 109 9.409 H 8 110 55.460 CA 8 111 3.968 HA 8 112 18.309 CB 8 113 1.500 HB1 8 114 1.500 HB2 8 115 1.500 HB3 8 116 0 QB 8 117 0 C 8 118 118.101 N 9 119 8.622 H 9 120 59.545 CA 9 121 4.067 HA 9 122 29.257 CB 9 123 1.958 HB2 9 124 1.958 HB3 9 125 0 QB 9 126 36.500 CG 9 127 2.296 HG2 9 128 2.296 HG3 9 129 0 QG 9 130 0 CD 9 131 0 HE2 9 132 0 C 9 133 123.100 N 10 134 7.366 H 10 135 57.021 CA 10 136 4.424 HA 10 137 39.407 CB 10 138 2.780 HB2 10 139 3.080 HB3 10 140 0 QB 10 141 0 CG 10 142 0 HD2 10 143 0 C 10 144 120.400 N 11 145 8.058 H 11 146 66.029 CA 11 147 3.193 HA 11 148 38.273 CB 11 149 1.878 HB 11 150 18.600 CG2 11 151 0.958 HG21 11 152 0.958 HG22 11 153 0.958 HG23 11 154 0 QG2 11 155 29.860 CG1 11 156 1.881 HG12 11 157 0.876 HG13 11 158 0 QG1 11 159 14.500 CD1 11 160 0.948 HD11 11 161 0.948 HD12 11 162 0.948 HD13 11 163 0 QD1 11 164 0 C 11 165 120.600 N 12 166 8.097 H 12 167 55.337 CA 12 168 4.035 HA 12 169 17.705 CB 12 170 1.470 HB1 12 171 1.470 HB2 12 172 1.470 HB3 12 173 0 QB 12 174 0 C 12 175 121.300 N 13 176 7.823 H 13 177 54.934 CA 13 178 4.062 HA 13 179 17.721 CB 13 180 1.414 HB1 13 181 1.414 HB2 13 182 1.414 HB3 13 183 0 QB 13 184 0 C 13 185 123.500 N 14 186 8.255 H 14 187 54.469 CA 14 188 3.903 HA 14 189 18.412 CB 14 190 0.992 HB1 14 191 0.992 HB2 14 192 0.992 HB3 14 193 0 QB 14 194 0 C 14 195 118.715 N 15 196 8.459 H 15 197 56.807 CA 15 198 4.327 HA 15 199 40.966 CB 15 200 1.509 HB2 15 201 1.916 HB3 15 202 0 QB 15 203 27.300 CG 15 204 1.941 HG 15 205 0 QD1 15 206 0 QD2 15 207 25.300 CD1 15 208 0.982 HD11 15 209 0.982 HD12 15 210 0.982 HD13 15 211 0.905 HD21 15 212 0.905 HD22 15 213 0.905 HD23 15 214 27.400 CD2 15 215 0 QQD 15 216 0 C 15 217 121.700 N 16 218 8.360 H 16 219 58.956 CA 16 220 4.055 HA 16 221 28.104 CB 16 222 2.141 HB2 16 223 2.141 HB3 16 224 0 QB 16 225 33.814 CG 16 226 2.380 HG2 16 227 2.430 HG3 16 228 0 QG 16 229 0 CD 16 230 111.684 NE2 16 231 7.450 HE21 16 232 6.761 HE22 16 233 0 QE2 16 234 0 C 16 235 116.511 N 17 236 7.632 H 17 237 57.743 CA 17 238 4.222 HA 17 239 30.200 CB 17 240 2.103 HB2 17 241 2.223 HB3 17 242 0 QB 17 243 36.350 CG 17 244 2.351 HG2 17 245 2.351 HG3 17 246 0 QG 17 247 0 CD 17 248 0 HE2 17 249 0 C 17 250 112.900 N 18 251 7.413 H 18 252 54.670 CA 18 253 5.694 HA 18 254 27.799 CB 18 255 2.844 HB2 18 256 3.186 HB3 18 257 0 QB 18 258 0 HG 18 259 0 C 18 260 123.200 N 19 261 7.155 H 19 262 59.413 CA 19 263 4.153 HA 19 264 29.211 CB 19 265 2.071 HB2 19 266 2.264 HB3 19 267 0 QB 19 268 33.573 CG 19 269 2.426 HG2 19 270 2.383 HG3 19 271 0 QG 19 272 0 CD 19 273 111.800 NE2 19 274 7.603 HE21 19 275 6.825 HE22 19 276 0 QE2 19 277 0 C 19 278 118.600 N 20 279 8.327 H 20 280 52.870 CA 20 281 4.968 HA 20 282 39.700 CB 20 283 2.567 HB2 20 284 2.567 HB3 20 285 0 QB 20 286 0 CG 20 287 0 HD2 20 288 0 C 20 289 0 N 21 290 0 H 21 291 64.510 CA 21 292 3.993 HA 21 293 31.800 CB 21 294 1.872 HB2 21 295 2.175 HB3 21 296 0 QB 21 297 27.910 CG 21 298 1.997 HG2 21 299 1.997 HG3 21 300 0 QG 21 301 50.400 CD 21 302 3.650 HD2 21 303 3.980 HD3 21 304 0 QD 21 305 0 C 21 306 114.999 N 22 307 7.463 H 22 308 58.600 CA 22 309 4.428 HA 22 310 38.273 CB 22 311 2.950 HB2 22 312 2.950 HB3 22 313 0 QB 22 314 0 CG 22 315 0 HD2 22 316 0 C 22 317 104.300 N 23 318 7.315 H 23 319 62.560 CA 23 320 4.580 HA 23 321 70.860 CB 23 322 4.446 HB 23 323 21.500 CG2 23 324 1.130 HG21 23 325 1.130 HG22 23 326 1.130 HG23 23 327 0 QG2 23 328 0 C 23 329 124.800 N 24 330 9.193 H 24 331 59.100 CA 24 332 4.458 HA 24 333 39.300 CB 24 334 2.824 HB2 24 335 2.930 HB3 24 336 0 QB 24 337 0 CG 24 338 131.700 CD1 24 339 7.220 HD1 24 340 131.700 CD2 24 341 7.220 HD2 24 342 0 QD 24 343 0 CE1 24 344 6.755 HE1 24 345 0 CE2 24 346 6.755 HE2 24 347 0 QE 24 348 0 QR 24 349 0 CZ 24 350 0 HZ 24 351 0 C 24 352 129.700 N 25 353 7.998 H 25 354 52.426 CA 25 355 4.465 HA 25 356 32.288 CB 25 357 1.908 HB2 25 358 1.620 HB3 25 359 0 QB 25 360 35.900 CG 25 361 2.087 HG2 25 362 2.087 HG3 25 363 0 QG 25 364 0 CD 25 365 0 HE2 25 366 0 C 25 367 0 N 26 368 0 H 26 369 65.960 CA 26 370 2.877 HA 26 371 31.687 CB 26 372 1.755 HB2 26 373 1.755 HB3 26 374 0 QB 26 375 26.987 CG 26 376 1.602 HG2 26 377 1.932 HG3 26 378 0 QG 26 379 50.358 HD2 26 380 3.732 HD3 26 381 3.304 HD3 26 382 0 QD 26 383 0 C 26 384 112.979 N 27 385 8.399 H 27 386 59.735 CA 27 387 3.801 HA 27 388 27.720 CB 27 389 1.993 HB2 27 390 1.993 HB3 27 391 0 QB 27 392 34.215 CG 27 393 2.367 HG2 27 394 2.436 HG3 27 395 0 QG 27 396 0 CD 27 397 112.800 NE2 27 398 7.800 HE21 27 399 6.927 HE22 27 400 0 QE2 27 401 0 C 27 402 118.900 N 28 403 6.838 H 28 404 59.083 CA 28 405 3.951 HA 28 406 32.428 CB 28 407 1.810 HB2 28 408 1.730 HB3 28 409 0 QB 28 410 24.444 CG 28 411 1.371 HG2 28 412 1.371 HG3 28 413 0 QG 28 414 29.300 CD 28 415 1.571 HD2 28 416 1.571 HD3 28 417 0 QD 28 418 42.139 CE 28 419 2.855 HE2 28 420 2.855 HE3 28 421 0 QE 28 422 0 NZ 28 423 0 HZ1 28 424 0 HZ2 28 425 0 HZ3 28 426 0 QZ 28 427 0 C 28 428 119.200 N 29 429 7.744 H 29 430 61.716 CA 29 431 4.311 HA 29 432 40.047 CB 29 433 2.460 HB2 29 434 2.740 HB3 29 435 0 QB 29 436 0 CG 29 437 0 CD1 29 438 7.156 HD1 29 439 0 CD2 29 440 7.156 HD2 29 441 0 QD 29 442 131.200 CE1 29 443 6.605 HE1 29 444 131.200 CE2 29 445 6.605 HE2 29 446 0 QE 29 447 0 QR 29 448 0 CZ 29 449 0 HZ 29 450 0 C 29 451 120.000 N 30 452 8.991 H 30 453 58.423 CA 30 454 4.370 HA 30 455 36.555 CB 30 456 3.241 HB2 30 457 3.241 HB3 30 458 0 QB 30 459 0 CG 30 460 131.600 CD1 30 461 7.259 HD1 30 462 131.600 CD2 30 463 7.259 HD2 30 464 0 QD 30 465 130.600 CE1 30 466 7.158 HE1 30 467 130.600 CE2 30 468 7.158 HE2 30 469 0 QE 30 470 0 QR 30 471 0 CZ 30 472 0 HZ 30 473 0 C 30 474 119.100 N 31 475 7.852 H 31 476 58.265 CA 31 477 4.347 HA 31 478 28.480 CB 31 479 2.167 HB2 31 480 2.229 HB3 31 481 0 QB 31 482 33.340 CG 31 483 2.384 HG2 31 484 2.450 HG3 31 485 0 QG 31 486 0 CD 31 487 111.958 NE2 31 488 7.567 HE21 31 489 6.802 HE22 31 490 0 QE2 31 491 0 C 31 492 120.300 N 32 493 9.341 H 32 494 66.304 CA 32 495 3.684 HA 32 496 67.846 CB 32 497 3.730 HB 32 498 22.380 CG2 32 499 0.955 HG21 32 500 0.955 HG22 32 501 0.955 HG23 32 502 0 QG2 32 503 0 C 32 504 110.400 N 33 505 7.949 H 33 506 61.090 CA 33 507 3.398 HA 33 508 63.594 CB 33 509 2.696 HB2 33 510 3.397 HB3 33 511 0 QB 33 512 0 HG 33 513 0 C 33 514 106.500 N 34 515 7.066 H 34 516 45.132 CA 34 517 3.840 HA2 34 518 4.408 HA3 34 519 0 QA 34 520 0 C 34 521 124.000 N 35 522 7.945 H 35 523 58.831 CA 35 524 3.908 HA 35 525 42.751 CB 35 526 1.294 HB2 35 527 2.012 HB3 35 528 0 QB 35 529 28.900 CG 35 530 1.858 HG 35 531 0 QD1 35 532 0 QD2 35 533 26.300 CD1 35 534 1.160 HD11 35 535 1.160 HD12 35 536 1.160 HD13 35 537 1.308 HD21 35 538 1.308 HD22 35 539 1.308 HD23 35 540 26.300 CD2 35 541 0 QQD 35 542 0 C 35 543 109.500 N 36 544 8.006 H 36 545 60.749 CA 36 546 3.976 HA 36 547 63.447 CB 36 548 4.046 HB2 36 549 3.679 HB3 36 550 0 QB 36 551 0 HG 36 552 0 C 36 553 118.695 N 37 554 7.223 H 37 555 55.668 CA 37 556 4.500 HA 37 557 33.042 CB 37 558 1.797 HB2 37 559 1.938 HB3 37 560 0 QB 37 561 24.819 CG 37 562 1.432 HG2 37 563 1.432 HG3 37 564 0 QG 37 565 29.503 CD 37 566 1.636 HD2 37 567 1.693 HD3 37 568 0 QD 37 569 42.300 CE 37 570 2.983 HE2 37 571 2.983 HE3 37 572 0 QE 37 573 0 NZ 37 574 0 HZ1 37 575 0 HZ2 37 576 0 HZ3 37 577 0 QZ 37 578 0 C 37 579 119.397 N 38 580 7.263 H 38 581 54.753 CA 38 582 4.614 HA 38 583 34.911 CB 38 584 2.074 HB2 38 585 2.225 HB3 38 586 0 QB 38 587 33.300 CG 38 588 2.573 HG2 38 589 2.806 HG3 38 590 0 QG 38 591 19.470 CE 38 592 2.054 HE1 38 593 2.054 HE2 38 594 2.054 HE3 38 595 0 QE 38 596 0 C 38 597 119.197 N 39 598 9.311 H 39 599 57.403 CA 39 600 4.484 HA 39 601 65.138 CB 39 602 4.036 HB2 39 603 4.349 HB3 39 604 0 QB 39 605 0 HG 39 606 0 C 39 607 123.400 N 40 608 8.958 H 40 609 55.877 CA 40 610 4.098 HA 40 611 17.999 CB 40 612 1.397 HB1 40 613 1.397 HB2 40 614 1.397 HB3 40 615 0 QB 40 616 0 C 40 617 112.200 N 41 618 8.425 H 41 619 61.750 CA 41 620 4.059 HA 41 621 62.542 CB 41 622 3.860 HB2 41 623 3.860 HB3 41 624 0 QB 41 625 0 HG 41 626 0 C 41 627 122.200 N 42 628 7.594 H 42 629 59.200 CA 42 630 4.286 HA 42 631 30.005 CB 42 632 2.013 HB2 42 633 2.476 HB3 42 634 0 QB 42 635 35.152 CG 42 636 2.456 HG2 42 637 2.456 HG3 42 638 0 QG 42 639 0 CD 42 640 113.200 NE2 42 641 7.729 HE21 42 642 6.952 HE22 42 643 0 QE2 42 644 0 C 42 645 119.500 N 43 646 8.662 H 43 647 67.601 CA 43 648 3.553 HA 43 649 31.137 CB 43 650 2.193 HB 43 651 0 QG1 43 652 0 QG2 43 653 23.100 CG1 43 654 0.923 HG11 43 655 0.923 HG12 43 656 0.923 HG13 43 657 0.947 HG21 43 658 0.947 HG22 43 659 0.947 HG23 43 660 24.970 CG2 43 661 0 QQG 43 662 0 C 43 663 120.000 N 44 664 7.973 H 44 665 60.238 CA 44 666 4.016 HA 44 667 32.000 CB 44 668 1.893 HB2 44 669 1.893 HB3 44 670 0 QB 44 671 25.900 CG 44 672 1.317 HG2 44 673 1.577 HG3 44 674 0 QG 44 675 29.503 CD 44 676 1.608 HD2 44 677 1.608 HD3 44 678 0 QD 44 679 42.230 CE 44 680 2.830 HE2 44 681 2.830 HE3 44 682 0 QE 44 683 0 NZ 44 684 0 HZ1 44 685 0 HZ2 44 686 0 HZ3 44 687 0 QZ 44 688 0 C 44 689 120.300 N 45 690 7.711 H 45 691 57.380 CA 45 692 4.368 HA 45 693 40.550 CB 45 694 2.519 HB2 45 695 2.951 HB3 45 696 0 QB 45 697 0 CG 45 698 0 HD2 45 699 0 C 45 700 120.300 N 46 701 8.284 H 46 702 64.947 CA 46 703 3.774 HA 46 704 37.438 CB 46 705 2.347 HB 46 706 17.050 CG2 46 707 1.075 HG21 46 708 1.075 HG22 46 709 1.075 HG23 46 710 0 QG2 46 711 30.300 CG1 46 712 2.017 HG12 46 713 1.259 HG13 46 714 0 QG1 46 715 14.000 CD1 46 716 0.965 HD11 46 717 0.965 HD12 46 718 0.965 HD13 46 719 0 QD1 46 720 0 C 46 721 120.600 N 47 722 8.772 H 47 723 62.159 CA 47 724 3.427 HA 47 725 38.480 CB 47 726 2.972 HB2 47 727 3.205 HB3 47 728 0 QB 47 729 0 CG 47 730 0 CD1 47 731 6.538 HD1 47 732 0 CD2 47 733 6.538 HD2 47 734 0 QD 47 735 0 CE1 47 736 6.786 HE1 47 737 0 CE2 47 738 6.786 HE2 47 739 0 QE 47 740 0 QR 47 741 0 CZ 47 742 0 HZ 47 743 0 C 47 744 115.800 N 48 745 7.536 H 48 746 58.794 CA 48 747 3.943 HA 48 748 29.810 CB 48 749 1.698 HB2 48 750 1.640 HB3 48 751 0 QB 48 752 28.040 CG 48 753 1.538 HG2 48 754 1.704 HG3 48 755 0 QG 48 756 43.371 CD 48 757 3.055 HD2 48 758 3.055 HD3 48 759 0 QD 48 760 120.900 NE 48 761 7.140 HE 48 762 0 CZ 48 763 0 NH1 48 764 0 NH2 48 765 0 HH21 48 766 0 HH22 48 767 0 QHZ 48 768 0 C 48 769 115.000 N 49 770 7.461 H 49 771 59.840 CA 49 772 4.349 HA 49 773 39.100 CB 49 774 2.889 HB2 49 775 3.204 HB3 49 776 0 QB 49 777 0 CG 49 778 0 CD1 49 779 7.058 HD1 49 780 0 CD2 49 781 7.058 HD2 49 782 0 QD 49 783 0 CE1 49 784 6.471 HE1 49 785 0 CE2 49 786 6.471 HE2 49 787 0 QE 49 788 0 QR 49 789 0 CZ 49 790 0 HZ 49 791 0 C 49 792 118.700 N 50 793 7.384 H 50 794 62.841 CA 50 795 3.587 HA 50 796 37.712 CB 50 797 1.339 HB 50 798 18.060 CG2 50 799 0.588 HG21 50 800 0.588 HG22 50 801 0.588 HG23 50 802 0 QG2 50 803 27.700 CG1 50 804 1.256 HG12 50 805 0.572 HG13 50 806 0 QG1 50 807 14.010 CD1 50 808 0.411 HD11 50 809 0.411 HD12 50 810 0.411 HD13 50 811 0 QD1 50 812 0 C 50 813 119.700 N 51 814 7.426 H 51 815 52.316 CA 51 816 4.212 HA 51 817 39.274 CB 51 818 2.210 HB2 51 819 1.534 HB3 51 820 0 QB 51 821 0 CG 51 822 0 HD2 51 823 0 C 51 824 121.300 N 52 825 8.061 H 52 826 56.100 CA 52 827 4.260 HA 52 828 38.718 CB 52 829 2.704 HB2 52 830 2.704 HB3 52 831 0 QB 52 832 0 CG 52 833 114.100 ND2 52 834 7.688 HD21 52 835 6.927 HD22 52 836 0 QD2 52 837 0 C 52 838 117.200 N 53 839 8.343 H 53 840 53.450 CA 53 841 4.507 HA 53 842 39.715 CB 53 843 2.782 HB2 53 844 2.782 HB3 53 845 0 QB 53 846 0 CG 53 847 0 HD2 53 848 0 C 53 849 115.600 N 54 850 7.861 H 54 851 56.846 CA 54 852 3.840 HA 54 853 26.350 CB 54 854 2.140 HB2 54 855 2.140 HB3 54 856 0 QB 54 857 34.500 CG 54 858 2.227 HG2 54 859 2.227 HG3 54 860 0 QG 54 861 0 CD 54 862 114.300 NE2 54 863 7.488 HE21 54 864 6.801 HE22 54 865 0 QE2 54 866 0 C 54 867 117.400 N 55 868 8.948 H 55 869 59.632 CA 55 870 4.282 HA 55 871 64.346 CB 55 872 3.714 HB2 55 873 3.880 HB3 55 874 0 QB 55 875 0 HG 55 876 0 C 55 877 114.800 N 56 878 10.560 H 56 879 45.018 CA 56 880 3.473 HA2 56 881 4.224 HA3 56 882 0 QA 56 883 0 C 56 884 115.797 N 57 885 7.730 H 57 886 56.363 CA 57 887 5.353 HA 57 888 41.902 CB 57 889 2.564 HB2 57 890 2.850 HB3 57 891 0 QB 57 892 0 CG 57 893 133.900 CD1 57 894 6.775 HD1 57 895 133.900 CD2 57 896 6.775 HD2 57 897 0 QD 57 898 118.000 CE1 57 899 6.823 HE1 57 900 118.000 CE2 57 901 6.823 HE2 57 902 0 QE 57 903 0 QR 57 904 0 CZ 57 905 0 HH 57 906 0 C 57 907 119.500 N 58 908 9.124 H 58 909 53.271 CA 58 910 4.718 HA 58 911 42.960 CB 58 912 1.429 HB2 58 913 1.744 HB3 58 914 0 QB 58 915 26.700 CG 58 916 1.739 HG 58 917 0 QD1 58 918 0 QD2 58 919 25.100 CD1 58 920 0.734 HD11 58 921 0.734 HD12 58 922 0.734 HD13 58 923 0.489 HD21 58 924 0.489 HD22 58 925 0.489 HD23 58 926 23.000 CD2 58 927 0 QQD 58 928 0 C 58 929 123.700 N 59 930 8.569 H 59 931 52.909 CA 59 932 4.878 HA 59 933 42.794 CB 59 934 2.709 HB2 59 935 2.925 HB3 59 936 0 QB 59 937 0 CG 59 938 0 HD2 59 939 0 C 59 940 108.300 N 60 941 8.708 H 60 942 47.817 CA 60 943 3.620 HA2 60 944 3.953 HA3 60 945 0 QA 60 946 0 C 60 947 120.700 N 61 948 8.448 H 61 949 56.560 CA 61 950 4.475 HA 61 951 40.457 CB 61 952 2.736 HB2 61 953 2.736 HB3 61 954 0 QB 61 955 0 CG 61 956 0 HD2 61 957 0 C 61 958 117.400 N 62 959 7.994 H 62 960 57.070 CA 62 961 4.451 HA 62 962 30.406 CB 62 963 2.227 HB2 62 964 2.227 HB3 62 965 0 QB 62 966 36.404 CG 62 967 2.478 HG2 62 968 2.478 HG3 62 969 0 QG 62 970 0 CD 62 971 0 HE2 62 972 0 C 62 973 119.900 N 63 974 7.808 H 63 975 57.680 CA 63 976 3.997 HA 63 977 41.667 CB 63 978 1.254 HB2 63 979 1.837 HB3 63 980 0 QB 63 981 26.300 CG 63 982 1.895 HG 63 983 0 QD1 63 984 0 QD2 63 985 26.000 CD1 63 986 0.836 HD11 63 987 0.836 HD12 63 988 0.836 HD13 63 989 0.738 HD21 63 990 0.738 HD22 63 991 0.738 HD23 63 992 22.800 CD2 63 993 0 QQD 63 994 0 C 63 995 116.900 N 64 996 7.767 H 64 997 58.712 CA 64 998 3.845 HA 64 999 31.207 CB 64 1000 1.330 HB2 64 1001 1.556 HB3 64 1002 0 QB 64 1003 22.880 CG 64 1004 0.490 HG2 64 1005 0.770 HG3 64 1006 0 QG 64 1007 29.300 CD 64 1008 1.432 HD2 64 1009 1.432 HD3 64 1010 0 QD 64 1011 41.698 CE 64 1012 2.769 HE2 64 1013 2.769 HE3 64 1014 0 QE 64 1015 0 NZ 64 1016 0 HZ1 64 1017 0 HZ2 64 1018 0 HZ3 64 1019 0 QZ 64 1020 0 C 64 1021 119.200 N 65 1022 7.470 H 65 1023 56.926 CA 65 1024 4.615 HA 65 1025 37.276 CB 65 1026 2.746 HB2 65 1027 3.535 HB3 65 1028 0 QB 65 1029 0 CG 65 1030 132.300 CD1 65 1031 7.146 HD1 65 1032 132.300 CD2 65 1033 7.146 HD2 65 1034 0 QD 65 1035 118.300 CE1 65 1036 6.850 HE1 65 1037 118.300 CE2 65 1038 6.850 HE2 65 1039 0 QE 65 1040 0 QR 65 1041 0 CZ 65 1042 0 HH 65 1043 0 C 65 1044 120.300 N 66 1045 7.719 H 66 1046 62.625 CA 66 1047 4.095 HA 66 1048 41.747 CB 66 1049 2.447 HB2 66 1050 3.510 HB3 66 1051 0 QB 66 1052 0 CG 66 1053 131.800 CD1 66 1054 6.810 HD1 66 1055 131.800 CD2 66 1056 6.810 HD2 66 1057 0 QD 66 1058 130.600 CE1 66 1059 7.076 HE1 66 1060 130.600 CE2 66 1061 7.076 HE2 66 1062 0 QE 66 1063 0 QR 66 1064 0 CZ 66 1065 0 HZ 66 1066 0 C 66 1067 111.900 N 67 1068 8.580 H 67 1069 57.611 CA 67 1070 3.829 HA 67 1071 40.897 CB 67 1072 1.227 HB2 67 1073 1.915 HB3 67 1074 0 QB 67 1075 26.300 CG 67 1076 1.334 HG 67 1077 0 QD1 67 1078 0 QD2 67 1079 25.100 CD1 67 1080 0.690 HD11 67 1081 0.690 HD12 67 1082 0.690 HD13 67 1083 0.243 HD21 67 1084 0.243 HD22 67 1085 0.243 HD23 67 1086 21.700 CD2 67 1087 0 QQD 67 1088 0 C 67 1089 115.800 N 68 1090 7.260 H 68 1091 55.949 CA 68 1092 4.658 HA 68 1093 26.799 CB 68 1094 2.047 HB2 68 1095 2.236 HB3 68 1096 0 QB 68 1097 34.175 CG 68 1098 2.310 HG2 68 1099 2.510 HG3 68 1100 0 QG 68 1101 0 CD 68 1102 113.100 NE2 68 1103 7.620 HE21 68 1104 6.898 HE22 68 1105 0 QE2 68 1106 0 C 68 1107 115.500 N 69 1108 7.340 H 69 1109 55.329 CA 69 1110 3.927 HA 69 1111 30.430 CB 69 1112 1.272 HB2 69 1113 1.573 HB3 69 1114 0 QB 69 1115 23.650 CG 69 1116 1.336 HG2 69 1117 1.662 HG3 69 1118 0 QG 69 1119 27.100 CD 69 1120 1.511 HD2 69 1121 1.511 HD3 69 1122 0 QD 69 1123 42.662 CE 69 1124 2.870 HE2 69 1125 2.870 HE3 69 1126 0 QE 69 1127 0 NZ 69 1128 0 HZ1 69 1129 0 HZ2 69 1130 0 HZ3 69 1131 0 QZ 69 1132 0 C 69 1133 115.800 N 70 1134 7.600 H 70 1135 59.872 CA 70 1136 4.088 HA 70 1137 38.907 CB 70 1138 2.989 HB2 70 1139 3.220 HB3 70 1140 0 QB 70 1141 0 CG 70 1142 0 CD1 70 1143 7.134 HD1 70 1144 0 CD2 70 1145 7.134 HD2 70 1146 0 QD 70 1147 0 CE1 70 1148 6.478 HE1 70 1149 0 CE2 70 1150 6.478 HE2 70 1151 0 QE 70 1152 0 QR 70 1153 0 CZ 70 1154 0 HZ 70 1155 0 C 70 1156 119.400 N 71 1157 7.597 H 71 1158 56.908 CA 71 1159 4.313 HA 71 1160 32.600 CB 71 1161 1.825 HB2 71 1162 1.915 HB3 71 1163 0 QB 71 1164 33.600 CG 71 1165 2.380 HG2 71 1166 2.430 HG3 71 1167 0 QG 71 1168 0 CD 71 1169 112.800 NE2 71 1170 8.060 HE21 71 1171 6.737 HE22 71 1172 0 QE2 71 1173 0 C 71 1174 121.700 N 72 1175 8.820 H 72 1176 62.095 CA 72 1177 4.342 HA 72 1178 63.196 CB 72 1179 3.883 HB2 72 1180 3.883 HB3 72 1181 0 QB 72 1182 0 HG 72 1183 0 C 72 1184 117.900 N 73 1185 8.114 H 73 1186 53.600 CA 73 1187 4.656 HA 73 1188 39.792 CB 73 1189 2.605 HB2 73 1190 2.875 HB3 73 1191 0 QB 73 1192 0 CG 73 1193 0 HD2 73 1194 0 C 73 1195 121.800 N 74 1196 7.690 H 74 1197 52.008 CA 74 1198 4.241 HA 74 1199 21.400 CB 74 1200 1.378 HB1 74 1201 1.378 HB2 74 1202 1.378 HB3 74 1203 0 QB 74 1204 0 C 74 1205 117.200 N 75 1206 8.355 H 75 1207 54.935 CA 75 1208 4.439 HA 75 1209 30.200 CB 75 1210 1.849 HB2 75 1211 1.950 HB3 75 1212 0 QB 75 1213 27.000 CG 75 1214 1.236 HG2 75 1215 1.448 HG3 75 1216 0 QG 75 1217 43.010 CD 75 1218 3.003 HD2 75 1219 3.263 HD3 75 1220 0 QD 75 1221 120.100 NE 75 1222 6.560 HE 75 1223 0 CZ 75 1224 0 NH1 75 1225 0 NH2 75 1226 0 HH21 75 1227 0 HH22 75 1228 0 QHZ 75 1229 0 C 75 1230 116.600 N 76 1231 8.298 H 76 1232 56.192 CA 76 1233 4.137 HA 76 1234 31.080 CB 76 1235 1.733 HB2 76 1236 1.845 HB3 76 1237 0 QB 76 1238 36.825 CG 76 1239 2.096 HG2 76 1240 2.352 HG3 76 1241 0 QG 76 1242 0 CD 76 1243 0 HE2 76 1244 0 C 76 1245 121.900 N 77 1246 8.510 H 77 1247 54.158 CA 77 1248 4.520 HA 77 1249 42.933 CB 77 1250 1.401 HB2 77 1251 1.640 HB3 77 1252 0 QB 77 1253 27.000 CG 77 1254 1.540 HG 77 1255 0 QD1 77 1256 0 QD2 77 1257 26.100 CD1 77 1258 0.264 HD11 77 1259 0.264 HD12 77 1260 0.264 HD13 77 1261 0.131 HD21 77 1262 0.131 HD22 77 1263 0.131 HD23 77 1264 22.400 CD2 77 1265 0 QQD 77 1266 0 C 77 1267 113.900 N 78 1268 9.840 H 78 1269 60.476 CA 78 1270 4.340 HA 78 1271 70.963 CB 78 1272 4.824 HB 78 1273 21.800 CG2 78 1274 1.310 HG21 78 1275 1.310 HG22 78 1276 1.310 HG23 78 1277 0 QG2 78 1278 0 C 78 1279 121.400 N 79 1280 9.073 H 79 1281 59.893 CA 79 1282 4.094 HA 79 1283 29.188 CB 79 1284 2.048 HB2 79 1285 2.048 HB3 79 1286 0 QB 79 1287 36.584 CG 79 1288 2.260 HG2 79 1289 2.350 HG3 79 1290 0 QG 79 1291 0 CD 79 1292 0 HE2 79 1293 0 C 79 1294 115.200 N 80 1295 8.596 H 80 1296 61.800 CA 80 1297 4.204 HA 80 1298 62.544 CB 80 1299 3.896 HB2 80 1300 3.896 HB3 80 1301 0 QB 80 1302 0 HG 80 1303 0 C 80 1304 123.500 N 81 1305 7.754 H 81 1306 58.739 CA 81 1307 4.200 HA 81 1308 31.280 CB 81 1309 1.854 HB2 81 1310 2.556 HB3 81 1311 0 QB 81 1312 38.485 CG 81 1313 2.831 HG2 81 1314 2.551 HG3 81 1315 0 QG 81 1316 0 CD 81 1317 0 HE2 81 1318 0 C 81 1319 114.500 N 82 1320 8.878 H 82 1321 67.300 CA 82 1322 3.633 HA 82 1323 67.900 CB 82 1324 4.114 HB 82 1325 22.500 CG2 82 1326 1.001 HG21 82 1327 1.001 HG22 82 1328 1.001 HG23 82 1329 0 QG2 82 1330 0 C 82 1331 123.200 N 83 1332 7.840 H 83 1333 59.417 CA 83 1334 4.007 HA 83 1335 31.775 CB 83 1336 1.955 HB2 83 1337 1.955 HB3 83 1338 0 QB 83 1339 24.939 CG 83 1340 1.418 HG2 83 1341 1.474 HG3 83 1342 0 QG 83 1343 28.900 CD 83 1344 1.708 HD2 83 1345 1.708 HD3 83 1346 0 QD 83 1347 42.394 CE 83 1348 2.996 HE2 83 1349 2.996 HE3 83 1350 0 QE 83 1351 0 NZ 83 1352 0 HZ1 83 1353 0 HZ2 83 1354 0 HZ3 83 1355 0 QZ 83 1356 0 C 83 1357 114.800 N 84 1358 7.806 H 84 1359 61.648 CA 84 1360 4.289 HA 84 1361 62.716 CB 84 1362 3.961 HB2 84 1363 4.008 HB3 84 1364 0 QB 84 1365 0 HG 84 1366 0 C 84 1367 123.600 N 85 1368 7.548 H 85 1369 58.300 CA 85 1370 4.035 HA 85 1371 42.569 CB 85 1372 1.588 HB2 85 1373 1.691 HB3 85 1374 0 QB 85 1375 27.450 CG 85 1376 1.451 HG 85 1377 0 QD1 85 1378 0 QD2 85 1379 24.500 CD1 85 1380 0.486 HD11 85 1381 0.486 HD12 85 1382 0.486 HD13 85 1383 0.400 HD21 85 1384 0.400 HD22 85 1385 0.400 HD23 85 1386 24.820 CD2 85 1387 0 QQD 85 1388 0 C 85 1389 117.200 N 86 1390 7.847 H 86 1391 58.292 CA 86 1392 4.057 HA 86 1393 32.300 CB 86 1394 2.101 HB2 86 1395 2.160 HB3 86 1396 0 QB 86 1397 32.600 CG 86 1398 2.459 HG2 86 1399 2.600 HG3 86 1400 0 QG 86 1401 17.070 CE 86 1402 1.934 HE1 86 1403 1.934 HE2 86 1404 1.934 HE3 86 1405 0 QE 86 1406 0 C 86 1407 118.800 N 87 1408 8.837 H 87 1409 56.362 CA 87 1410 4.411 HA 87 1411 40.500 CB 87 1412 2.671 HB2 87 1413 2.671 HB3 87 1414 0 QB 87 1415 0 CG 87 1416 0 HD2 87 1417 0 C 87 1418 121.300 N 88 1419 7.537 H 88 1420 53.508 CA 88 1421 4.227 HA 88 1422 18.117 CB 88 1423 1.582 HB1 88 1424 1.582 HB2 88 1425 1.582 HB3 88 1426 0 QB 88 1427 0 C 88 1428 119.800 N 89 1429 7.549 H 89 1430 52.262 CA 89 1431 4.330 HA 89 1432 20.406 CB 89 1433 1.460 HB1 89 1434 1.460 HB2 89 1435 1.460 HB3 89 1436 0 QB 89 1437 0 C 89 1438 118.600 N 90 1439 8.248 H 90 1440 54.000 CA 90 1441 4.580 HA 90 1442 39.902 CB 90 1443 2.536 HB2 90 1444 2.904 HB3 90 1445 0 QB 90 1446 0 CG 90 1447 0 HD2 90 1448 0 C 90 1449 120.000 N 91 1450 8.384 H 91 1451 53.600 CA 91 1452 4.718 HA 91 1453 39.682 CB 91 1454 2.656 HB2 91 1455 2.990 HB3 91 1456 0 QB 91 1457 0 CG 91 1458 113.100 ND2 91 1459 7.703 HD21 91 1460 6.878 HD22 91 1461 0 QD2 91 1462 0 C 91 1463 119.700 N 92 1464 8.695 H 92 1465 54.800 CA 92 1466 4.544 HA 92 1467 40.499 CB 92 1468 2.670 HB2 92 1469 2.770 HB3 92 1470 0 QB 92 1471 0 CG 92 1472 0 HD2 92 1473 0 C 92 1474 108.100 N 93 1475 8.231 H 93 1476 46.105 CA 93 1477 3.890 HA2 93 1478 4.002 HA3 93 1479 0 QA 93 1480 0 C 93 1481 120.200 N 94 1482 8.185 H 94 1483 54.019 CA 94 1484 4.511 HA 94 1485 40.710 CB 94 1486 2.605 HB2 94 1487 2.772 HB3 94 1488 0 QB 94 1489 0 CG 94 1490 0 HD2 94 1491 0 C 94 1492 109.200 N 95 1493 8.752 H 95 1494 46.120 CA 95 1495 3.765 HA2 95 1496 3.932 HA3 95 1497 0 QA 95 1498 0 C 95 1499 117.300 N 96 1500 7.701 H 96 1501 54.870 CA 96 1502 4.818 HA 96 1503 35.169 CB 96 1504 1.468 HB2 96 1505 1.508 HB3 96 1506 0 QB 96 1507 24.216 CG 96 1508 0.982 HG2 96 1509 1.049 HG3 96 1510 0 QG 96 1511 29.169 CD 96 1512 2.426 HD2 96 1513 2.426 HD3 96 1514 0 QD 96 1515 41.912 CE 96 1516 3.510 HE2 96 1517 3.510 HE3 96 1518 0 QE 96 1519 0 NZ 96 1520 0 HZ1 96 1521 0 HZ2 96 1522 0 HZ3 96 1523 0 QZ 96 1524 0 C 96 1525 121.000 N 97 1526 8.861 H 97 1527 61.410 CA 97 1528 4.369 HA 97 1529 40.272 CB 97 1530 1.967 HB 97 1531 17.820 CG2 97 1532 1.107 HG21 97 1533 1.107 HG22 97 1534 1.107 HG23 97 1535 0 QG2 97 1536 26.800 CG1 97 1537 1.656 HG12 97 1538 0.950 HG13 97 1539 0 QG1 97 1540 14.200 CD1 97 1541 0.823 HD11 97 1542 0.823 HD12 97 1543 0.823 HD13 97 1544 0 QD1 97 1545 0 C 97 1546 115.900 N 98 1547 8.700 H 98 1548 44.227 CA 98 1549 3.771 HA2 98 1550 4.790 HA3 98 1551 0 QA 98 1552 0 C 98 1553 122.600 N 99 1554 7.984 H 99 1555 55.489 CA 99 1556 2.513 HA 99 1557 18.513 CB 99 1558 0.948 HB1 99 1559 0.948 HB2 99 1560 0.948 HB3 99 1561 0 QB 99 1562 0 C 99 1563 116.800 N 100 1564 8.480 H 100 1565 57.305 CA 100 1566 4.285 HA 100 1567 39.627 CB 100 1568 2.607 HB2 100 1569 2.513 HB3 100 1570 0 QB 100 1571 0 CG 100 1572 0 HD2 100 1573 0 C 100 1574 120.900 N 101 1575 7.945 H 101 1576 59.892 CA 101 1577 4.085 HA 101 1578 29.154 CB 101 1579 2.033 HB2 101 1580 2.424 HB3 101 1581 0 QB 101 1582 37.670 CG 101 1583 2.346 HG2 101 1584 2.667 HG3 101 1585 0 QG 101 1586 0 CD 101 1587 0 HE2 101 1588 0 C 101 1589 121.800 N 102 1590 8.736 H 102 1591 61.396 CA 102 1592 4.149 HA 102 1593 40.056 CB 102 1594 2.960 HB2 102 1595 2.960 HB3 102 1596 0 QB 102 1597 0 CG 102 1598 0 CD1 102 1599 7.182 HD1 102 1600 0 CD2 102 1601 7.182 HD2 102 1602 0 QD 102 1603 130.700 CE1 102 1604 7.298 HE1 102 1605 130.700 CE2 102 1606 7.298 HE2 102 1607 0 QE 102 1608 0 QR 102 1609 0 CZ 102 1610 0 HZ 102 1611 0 C 102 1612 116.700 N 103 1613 7.936 H 103 1614 59.256 CA 103 1615 3.706 HA 103 1616 27.740 CB 103 1617 2.124 HB2 103 1618 2.246 HB3 103 1619 0 QB 103 1620 33.787 CG 103 1621 2.302 HG2 103 1622 2.420 HG3 103 1623 0 QG 103 1624 0 CD 103 1625 110.300 NE2 103 1626 7.522 HE21 103 1627 6.866 HE22 103 1628 0 QE2 103 1629 0 C 103 1630 116.900 N 104 1631 7.529 H 104 1632 58.505 CA 104 1633 3.996 HA 104 1634 29.192 CB 104 1635 2.048 HB2 104 1636 2.048 HB3 104 1637 0 QB 104 1638 35.460 CG 104 1639 2.370 HG2 104 1640 2.316 HG3 104 1641 0 QG 104 1642 0 CD 104 1643 0 HE2 104 1644 0 C 104 1645 118.600 N 105 1646 8.040 H 105 1647 58.523 CA 105 1648 4.089 HA 105 1649 32.939 CB 105 1650 2.038 HB2 105 1651 2.038 HB3 105 1652 0 QB 105 1653 30.614 CG 105 1654 2.228 0.04 105 1655 2.515 HG3 105 1656 0 QG 105 1657 16.750 CE 105 1658 1.975 HE1 105 1659 1.975 HE2 105 1660 1.975 HE3 105 1661 0 QE 105 1662 0 C 105 1663 113.000 N 106 1664 7.167 H 106 1665 63.297 CA 106 1666 3.099 HA 106 1667 30.885 CB 106 1668 1.323 HB 106 1669 0 QG1 106 1670 0 QG2 106 1671 19.510 CG1 106 1672 -0.110 HG11 106 1673 -0.110 HG12 106 1674 -0.110 HG13 106 1675 -0.320 HG21 106 1676 -0.320 HG22 106 1677 -0.320 HG23 106 1678 21.090 CG2 106 1679 0 QQG 106 1680 0 C 106 1681 116.600 N 107 1682 7.065 H 107 1683 55.177 CA 107 1684 4.814 HA 107 1685 29.285 CB 107 1686 3.065 HB2 107 1687 3.424 HB3 107 1688 0 QB 107 1689 0 CG 107 1690 120.000 CD2 107 1691 7.427 HD2 107 1692 0 ND1 107 1693 0 HD1 107 1694 0 CE1 107 1695 0 HE1 107 1696 0 NE2 107 1697 0 HE2 107 1698 0 C 107 1699 122.200 N 108 1700 7.596 H 108 1701 60.780 CA 108 1702 4.250 HA 108 1703 64.877 CB 108 1704 3.938 HB2 108 1705 3.938 HB3 108 1706 0 QB 108 1707 0 HG 108 1708 0 C 108
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