Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
560023 | 2m5q RC | 19071 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! lys-glu-glu assign (resid 103 and name H15# )(resid 101 and name HH# ) 4.0 2.2 1.0 ! 1.159 - 2.306 --> C16HC15 - gE1HG (S/N 13) assign (resid 13 and name HB# )(resid 103 and name H14# ) 3.0 1.2 1.0 ! 1.790 w1 - 1.236 w2 --> K13HB - C16HCX (S/N 25) assign (resid 13 and name HB# )(resid 103 and name H14# ) 3.0 1.2 1.0 ! 1.790 w1 - 1.236 w2 --> K13HB - C16HCX (S/N 32) assign (resid 13 and name HE# )(resid 103 and name H14# ) 3.0 1.2 1.0 ! 3.082 - 1.234 --> K13HE - C16HCX (S/N 17) assign (resid 13 and name HG# )(resid 103 and name H4# ) 3.0 1.2 1.0 ! 1.443 - 1.217 --> K13HG - C16HCX (S/N 16) assign (resid 13 and name HG# )(resid 101 and name HA ) 4.0 2.2 1.0 assign (resid 103 and name H15# )(resid 17 and name HB# ) 2.5 0.7 0.5 ! 1.156 w1 - 1.945 w2 --> C16HC15 - R17HB (S/N 34) assign (resid 103 and name H15# )(resid 18 and name HB# ) 3.0 1.2 1.0 ! 1.169 - 1.981 --> C16HC15 - R18HB (S/N 26) assign (resid 103 and name H14# )(resid 14 and name HB# ) 2.5 0.7 0.5 assign (resid 14 and name HD* )(resid 101 and name HA ) 4.0 2.2 1.0 ! 360 0.732 4.372 36449 L14 X30 !i+2 assign (resid 20 and name HN )(resid 18 and name HN ) 4.0 2.2 1.0 ! 412 8.193 7.932 41872 Q20 R18 assign (resid 24 and name HE# )(resid 26 and name HB# ) 4.0 2.2 1.0 ! 999 7.194 1.403 32219 Q24 L26 assign (resid 15 and name HA )(resid 17 and name HB# ) 4.0 2.2 2.0 ! 366 4.247 1.975 32146 D15 R17 !i+3 assign (resid 16 and name HB* )(resid 19 and name HA ) 3.0 1.2 1.0 assign (resid 26 and name HB# )(resid 23 and name HG* ) 2.5 0.7 0.5 ! 484 1.412 1.132 102712 L26 V23 assign (resid 20 and name HA )(resid 23 and name HN ) 4.0 2.2 1.0 ! 900 3.944 8.391 29685 Q20 V23 assign (resid 12 and name HG# )(resid 9 and name HA ) 4.0 2.2 1.0 ! 999 1.385 4.434 30071 K12 D9 assign (resid 25 and name HZ3 )(resid 22 and name HE# ) 2.5 0.7 0.5 ! 472 6.949 7.227 109248 W25 F22 assign (resid 16 and name HB* )(resid 19 and name HN ) 3.0 1.2 1.0 ! 372 1.457 8.191 53730 X16 A19 assign (resid 18 and name HB# )(resid 15 and name HA ) 3.0 1.2 1.0 ! 388 1.904 4.249 71644 R18 D15 assign (resid 19 and name HA )(resid 22 and name HB# ) 3.0 1.2 1.0 ! 396 4.179 3.322 58028 A19 F22 assign (resid 19 and name HB# )(resid 22 and name HB# ) 3.0 1.2 1.0 ! 403 1.508 3.321 60715 A19 F22 assign (resid 22 and name HD# )(resid 26 and name HD* ) 3.0 1.2 1.0 ! 423 7.154 0.696 85343 F22 L26 assign (resid 22 and name HB# )(resid 19 and name HA ) 3.0 1.2 1.0 ! 416 3.322 4.172 93860 F22 A19 assign (resid 22 and name HD* )(resid 19 and name HA ) 3.0 1.2 1.0 ! 418 7.155 4.173 62002 F22 A19 assign (resid 23 and name HG* )(resid 20 and name HA ) 3.0 1.2 1.0 ! 434 0.935 3.929 66279 V23 Q20 assign (resid 23 and name HN )(resid 20 and name HA ) 3.0 1.2 1.0 ! 442 8.393 3.946 69381 V23 Q20 assign (resid 24 and name HN )(resid 21 and name HA ) 3.0 1.2 2.0 ! 452 8.158 4.427 66973 Q24 D21 assign (resid 25 and name HB# )(resid 22 and name HA ) 3.0 1.2 1.0 ! 463 3.557 4.408 58839 W25 F22 assign (resid 25 and name HE3 )(resid 22 and name HA ) 3.0 1.2 1.0 ! 464 7.299 4.401 64793 W25 F22 assign (resid 25 and name HN )(resid 22 and name HA ) 3.0 1.2 1.0 ! 478 8.074 4.409 88816 W25 F22 assign (resid 26 and name HD* )(resid 23 and name HG* ) 3.0 1.2 1.0 ! 492 0.686 1.131 75531 L26 V23 assign (resid 27 and name HN )(resid 24 and name HA ) 3.0 1.2 1.0 ! 514 8.455 3.886 50587 M27 Q24 assign (resid 28 and name HB# )(resid 25 and name HA ) 3.0 1.2 1.0 ! 520 2.648 4.132 98488 N28 W25 assign (resid 17 and name HN )(resid 14 and name HB# ) 4.0 2.2 1.0 ! 386 7.929 1.623 46193 R17 L14 assign (resid 17 and name HN )(resid 20 and name HN ) 4.0 2.2 1.0 ! 387 7.933 8.189 45657 R17 Q20 assign (resid 19 and name HA )(resid 22 and name HB# ) 4.0 2.2 1.0 ! 395 4.185 3.226 32664 A19 F22 assign (resid 19 and name HB# )(resid 22 and name HB# ) 4.0 2.2 1.0 ! 402 1.510 3.230 44641 A19 F22 assign (resid 20 and name HA )(resid 23 and name HB ) 4.0 2.2 1.0 ! 406 3.941 2.143 32833 Q20 V23 assign (resid 20 and name HB# )(resid 17 and name HA ) 4.0 2.2 1.0 ! 408 2.276 4.010 44687 Q20 R17 assign (resid 20 and name HN )(resid 17 and name HB# ) 3.0 1.2 2.0 ! 410 8.190 1.927 80225 Q20 R17 assign (resid 22 and name HA )(resid 25 and name HB# ) 4.0 2.2 1.0 ! 414 4.401 3.554 32129 F22 W25 assign (resid 22 and name HB# )(resid 25 and name HN ) 4.0 2.2 1.0 ! 415 3.230 8.389 43050 F22 W25 assign (resid 22 and name HD# )(resid 19 and name HB# ) 4.0 2.2 1.0 ! 419 7.149 1.506 34930 F22 A19 assign (resid 23 and name HB )(resid 20 and name HA ) 4.0 2.2 1.0 ! 428 2.146 3.933 37886 V23 Q20 assign (resid 23 and name HG* )(resid 20 and name HN ) 4.0 2.2 1.0 ! 430 1.134 8.178 46312 V23 Q20 assign (resid 25 and name HA )(resid 28 and name HB# ) 4.0 2.2 1.0 ! 461 4.136 2.646 30324 W25 N28 assign (resid 25 and name HZ3 )(resid 22 and name HA ) 4.0 2.2 1.0 ! 471 6.938 4.398 43852 W25 F22 assign (resid 29 and name HG2# )(resid 26 and name HA ) 4.0 2.2 1.0 ! 999 0.649 3.459 49745 T29 L26 assign (resid 2 and name HB* )(resid 5 and name HA ) 2.5 0.7 1.2 ! 319 1.314 4.088 286565 X2 T5 assign (resid 2 and name HB* )(resid 5 and name HG2# ) 2.5 0.7 0.5 ! 320 1.314 1.140 240900 X2 T5 assign (resid 7 and name HA )(resid 10 and name HB# ) 2.5 0.7 0.5 ! 333 3.911 2.830 130700 T7 Y10 assign (resid 10 and name HB# )(resid 7 and name HA ) 2.5 0.7 0.5 ! 339 2.829 3.909 201875 Y10 T7 assign (resid 16 and name HB* )(resid 13 and name HA ) 2.5 0.7 0.5 ! 375 1.495 3.882 277831 X16 K13 assign (resid 3 and name HA )(resid 6 and name HB# ) 3.0 1.2 1.0 ! 322 3.977 3.098 94989 Q3 F6 assign (resid 5 and name HA )(resid 2 and name HB* ) 3.0 1.2 1.0 ! 324 4.093 1.318 53729 T5 X2 assign (resid 6 and name HD* )(resid 3 and name HA ) 3.0 1.2 1.0 ! 329 7.090 3.970 70736 F6 Q3 assign (resid 9 and name HB# )(resid 6 and name HA ) 3.0 1.2 1.0 ! 338 2.971 4.288 60347 D9 F6 assign (resid 12 and name HA )(resid 15 and name HB# ) 3.0 1.2 1.0 ! 348 4.037 3.044 55399 K12 D15 assign (resid 13 and name HB# )(resid 10 and name HA ) 3.0 1.2 1.0 ! 350 1.792 4.123 68458 K13 Y10 assign (resid 13 and name HB# )(resid 10 and name HA ) 3.0 1.2 1.0 ! 351 1.744 4.118 57379 K13 Y10 assign (resid 15 and name HB# )(resid 12 and name HA ) 3.0 1.2 1.0 ! 367 3.059 4.033 92558 D15 K12 assign (resid 15 and name HB# )(resid 12 and name HA ) 3.0 1.2 1.0 ! 368 2.742 4.038 81439 D15 K12 assign (resid 7 and name HG2# )(resid 10 and name HB# ) 4.0 2.2 1.0 ! 336 1.286 2.808 34481 T7 Y10 assign (resid 10 and name HB# )(resid 7 and name HG2# ) 4.0 2.2 1.0 ! 340 2.832 1.293 44874 Y10 T7 assign (resid 12 and name HB# )(resid 9 and name HA ) 4.0 2.2 1.0 ! 349 1.656 4.443 38822 K12 D9 assign (resid 16 and name HB* )(resid 13 and name HA ) 4.0 2.2 1.0 ! 371 1.457 3.884 49206 X16 K13 !i+4 assign (resid 16 and name HB* )(resid 20 and name HB# ) 3.0 1.2 1.0 ! 374 1.456 2.580 59513 X16 Q20 assign (resid 18 and name HN )(resid 14 and name HD* ) 3.0 1.2 1.7 ! 392 7.930 0.738 59431 R18 L14 assign (resid 19 and name HB# )(resid 23 and name HB ) 3.0 1.2 1.0 ! 404 1.527 2.149 71377 A19 V23 assign (resid 21 and name HB# )(resid 17 and name HA ) 3.0 1.2 1.0 ! 413 2.776 3.965 71574 D21 R17 assign (resid 23 and name HG* )(resid 27 and name HB# ) 3.0 1.2 1.0 ! 436 0.934 1.924 68798 V23 M27 assign (resid 26 and name HD* )(resid 22 and name HD* ) 3.0 1.2 1.0 ! 490 0.689 7.152 85177 L26 F22 assign (resid 14 and name HA )(resid 18 and name HN ) 4.0 2.2 1.0 ! 355 3.940 7.918 43685 L14 R18 assign (resid 14 and name HD* )(resid 18 and name HN ) 4.0 2.2 1.0 ! 365 0.736 7.925 42767 L14 R18 assign (resid 16 and name HB* )(resid 20 and name HB# ) 4.0 2.2 1.0 ! 373 1.459 2.275 40307 X16 Q20 assign (resid 20 and name HB# )(resid 16 and name HB* ) 4.0 2.2 1.0 ! 407 2.277 1.491 42292 Q20 X16 assign (resid 20 and name HG# )(resid 16 and name HB* ) 4.0 2.2 1.0 ! 409 2.581 1.491 37215 Q20 X16 assign (resid 22 and name HE# )(resid 26 and name HB# ) 4.0 2.2 1.0 ! 426 7.226 1.387 44465 F22 L26 assign (resid 17 and name HB# )(resid 13 and name HD* ) 3.0 1.2 2.0 ! 384 1.973 1.566 85058 R17 K13 assign (resid 7 and name HG2# )(resid 3 and name HB# ) 4.0 2.2 1.0 ! 334 1.279 2.031 47253 T7 Q3 assign (resid 23 and name HN )(resid 19 and name HA ) 4.0 2.2 1.0 ! 441 8.394 4.179 38552 V23 A19 assign (resid 26 and name HN )(resid 22 and name HA ) 4.0 2.2 1.0 ! 499 8.565 4.408 35661 L26 F22 assign (resid 27 and name HN )(resid 23 and name HG* ) 4.0 2.2 1.0 ! 512 8.452 0.928 43649 M27 V23 assign (resid 27 and name HN )(resid 23 and name HG* ) 4.0 2.2 1.0 ! 513 8.443 1.140 45726 M27 V23 assign (resid 10 and name HE# )(resid 14 and name HD* ) 2.5 0.7 0.5 ! 347 6.674 0.736 140416 Y10 L14 assign (resid 14 and name HD* )(resid 10 and name HD* ) 2.5 0.7 0.5 ! 362 0.738 6.923 139018 L14 Y10 assign (resid 14 and name HD* )(resid 10 and name HE# ) 2.5 0.7 0.5 ! 363 0.736 6.674 145517 L14 Y10 assign (resid 6 and name HD# )(resid 2 and name HB* ) 3.0 1.2 1.0 ! 328 7.099 1.301 69895 F6 X2 assign (resid 10 and name HD* )(resid 14 and name HA ) 3.0 1.2 3.0 ! 343 6.910 3.930 70773 Y10 L14 assign (resid 10 and name HD* )(resid 14 and name HD* ) 3.0 1.2 1.0 ! 344 6.906 0.740 86634 Y10 L14 assign (resid 2 and name HB* )(resid 6 and name HD# ) 4.0 2.2 1.0 ! 321 1.313 7.105 40251 X2 F6 assign (resid 3 and name HB# )(resid 7 and name HG2# ) 4.0 2.2 1.0 ! 323 2.054 1.292 34055 Q3 T7 assign (resid 6 and name HD* )(resid 10 and name HB# ) 4.0 2.2 1.0 ! 331 7.092 2.813 34405 F6 Y10 assign (resid 10 and name HB# )(resid 14 and name HD* ) 4.0 2.2 1.0 ! 342 2.823 0.736 33960 Y10 L14 assign (resid 10 and name HE# )(resid 6 and name HB# ) 4.0 2.2 1.0 ! 345 6.910 3.107 34132 Y10 F6 assign (resid 10 and name HE# )(resid 14 and name HA ) 4.0 2.2 1.0 ! 346 6.674 3.936 33688 Y10 L14 assign (resid 14 and name HD* )(resid 10 and name HB# ) 4.0 2.2 1.0 ! 361 0.744 2.832 36096 L14 Y10 assign (resid 17 and name HN )(resid 13 and name HG# ) 4.0 2.2 1.0 ! 385 7.929 1.392 48942 R17 K13 assign (resid 26 and name HB# )(resid 22 and name HE# ) 4.0 2.2 1.0 assign (resid 19 and name HA )(resid 23 and name HG* ) 4.0 2.2 1.0 ! 900 4.185 1.139 31986 A19 V23 assign (resid 10 and name HD# )(resid 14 and name HB# ) 4.0 2.2 1.0 ! 999 6.908 1.464 29246 Y10 L14 assign (resid 14 and name HB# )(resid 18 and name HN ) 3.0 1.2 1.0 ! 359 1.461 7.928 92659 L14 R18 assign (resid 18 and name HN )(resid 14 and name HA ) 2.5 0.7 1.5 ! 391 7.928 3.944 149859 R18 L14 assign (resid 19 and name HB# )(resid 23 and name HG* ) 2.5 0.7 0.5 ! 405 1.508 1.142 133507 A19 V23 assign (resid 22 and name HE# )(resid 26 and name HD* ) 2.5 0.7 0.5 ! 427 7.229 0.711 328536 F22 L26 assign (resid 23 and name HG* )(resid 27 and name HG# ) 2.5 0.7 0.5 ! 437 0.934 2.471 106087 V23 M27 assign (resid 23 and name HG* )(resid 27 and name HG# ) 2.5 0.7 0.5 ! 438 0.934 2.655 134341 V23 M27 assign (resid 26 and name HD* )(resid 22 and name HE# ) 2.5 0.7 0.5 ! 491 0.689 7.226 240266 L26 F22 assign (resid 26 and name HD* )(resid 22 and name HE# ) 2.5 0.7 0.5 ! 496 0.733 7.226 253788 L26 F22 assign (resid 27 and name HB# )(resid 23 and name HG* ) 2.5 0.7 0.5 ! 508 1.921 0.934 139988 M27 V23 assign (resid 27 and name HG# )(resid 23 and name HG* ) 2.5 0.7 0.5 ! 510 2.471 0.932 101544 M27 V23 assign (resid 27 and name HG# )(resid 23 and name HG* ) 2.5 0.7 0.5 ! 511 2.658 0.934 110283 M27 V23 !i+1 assign (resid 18 and name HN )(resid 19 and name HB# ) 2.5 0.7 0.5 ! 394 7.929 1.490 257831 R18 A19 assign (resid 19 and name HB# )(resid 18 and name HN ) 2.5 0.7 0.5 ! 397 1.497 7.925 200433 A19 R18 assign (resid 20 and name HN )(resid 19 and name HB# ) 2.5 0.7 0.5 ! 411 8.193 1.502 107508 Q20 A19 assign (resid 22 and name HD# )(resid 23 and name HG* ) 2.5 0.7 0.5 ! 421 7.152 1.129 114579 F22 V23 assign (resid 23 and name HN )(resid 22 and name HB# ) 2.5 0.7 0.5 ! 445 8.395 3.321 100955 V23 F22 assign (resid 24 and name HN )(resid 23 and name HN ) 2.5 0.7 0.5 ! 457 8.157 8.395 102170 Q24 V23 assign (resid 25 and name HE3 )(resid 26 and name HA ) 2.5 0.7 0.5 ! 465 7.300 3.459 110051 W25 L26 assign (resid 25 and name HZ2 )(resid 26 and name HD* ) 2.5 0.7 0.5 ! 468 7.283 0.649 102333 W25 L26 assign (resid 26 and name HD* )(resid 25 and name HZ2 ) 2.5 0.7 0.5 ! 494 0.648 7.280 100222 L26 W25 assign (resid 26 and name HN )(resid 25 and name HN ) 2.5 0.7 0.5 ! 504 8.562 8.071 101423 L26 W25 assign (resid 26 and name HN )(resid 27 and name HN ) 2.5 0.7 0.5 ! 506 8.557 8.450 127505 L26 M27 assign (resid 28 and name HN )(resid 27 and name HG# ) 2.5 0.7 0.5 ! 524 7.720 2.649 130005 N28 M27 assign (resid 14 and name HB# )(resid 15 and name HB# ) 3.0 1.2 1.0 ! 357 1.457 3.060 76369 L14 D15 assign (resid 15 and name HB# )(resid 14 and name HB# ) 3.0 1.2 1.0 ! 369 2.760 1.465 51723 D15 L14 assign (resid 25 and name HZ3 )(resid 26 and name HD* ) 2.5 0.7 0.5 ! 475 6.940 0.653 109259 W25 L26 assign (resid 25 and name HZ3 )(resid 26 and name HD* ) 2.5 0.7 0.5 ! 476 6.944 0.731 100142 W25 L26 assign (resid 25 and name HN )(resid 26 and name HN ) 2.5 0.7 0.5 ! 482 8.075 8.560 101082 W25 L26 assign (resid 16 and name HB* )(resid 17 and name HA ) 3.0 1.2 1.0 ! 376 1.493 3.993 54599 X16 R17 assign (resid 23 and name HN )(resid 22 and name HB# ) 3.0 1.2 1.0 ! 444 8.393 3.224 61864 V23 F22 assign (resid 23 and name HN )(resid 24 and name HN ) 3.0 1.2 1.0 ! 448 8.397 8.156 76076 V23 Q24 assign (resid 24 and name HB# )(resid 25 and name HN ) 3.0 1.2 1.0 ! 450 2.272 8.100 50820 Q24 W25 assign (resid 24 and name HN )(resid 23 and name HG* ) 3.0 1.2 1.0 ! 455 8.158 0.934 56763 Q24 V23 assign (resid 24 and name HN )(resid 23 and name HG* ) 3.0 1.2 1.0 ! 456 8.158 1.127 60180 Q24 V23 assign (resid 25 and name HE3 )(resid 26 and name HB# ) 3.0 1.2 1.0 ! 466 7.301 1.400 70394 W25 L26 assign (resid 25 and name HE3 )(resid 26 and name HB# ) 3.0 1.2 1.0 ! 467 7.300 1.629 51073 W25 L26 assign (resid 25 and name HE3 )(resid 26 and name HD* ) 3.0 1.2 1.0 ! 469 7.299 0.730 91568 W25 L26 assign (resid 25 and name HE3 )(resid 26 and name HN ) 3.0 1.2 1.0 ! 470 7.300 8.563 76800 W25 L26 assign (resid 22 and name HD* )(resid 23 and name HN ) 3.0 1.2 1.0 ! 422 7.153 8.396 54080 F22 V23 assign (resid 23 and name HG* )(resid 22 and name HD* ) 3.0 1.2 1.0 ! 431 1.132 7.144 99954 V23 F22 assign (resid 23 and name HG* )(resid 22 and name HB# ) 3.0 1.2 1.0 ! 440 1.134 3.319 54607 V23 F22 assign (resid 25 and name HN )(resid 24 and name HB# ) 3.0 1.2 1.0 ! 480 8.075 2.089 60254 W25 Q24 assign (resid 25 and name HN )(resid 24 and name HB# ) 3.0 1.2 1.0 ! 481 8.076 2.253 58525 W25 Q24 assign (resid 26 and name HB# )(resid 25 and name HE3 ) 3.0 1.2 1.0 ! 486 1.411 7.302 51055 L26 W25 assign (resid 26 and name HB# )(resid 27 and name HN ) 3.0 1.2 1.0 ! 487 1.399 8.450 68356 L26 M27 assign (resid 26 and name HB# )(resid 27 and name HN ) 3.0 1.2 1.0 ! 489 1.621 8.445 51796 L26 M27 assign (resid 26 and name HD* )(resid 25 and name HZ3 ) 3.0 1.2 1.0 ! 495 0.656 6.938 73033 L26 W25 assign (resid 26 and name HD* )(resid 25 and name HE3 ) 3.0 1.2 1.0 ! 497 0.738 7.305 75273 L26 W25 assign (resid 26 and name HD* )(resid 27 and name HB# ) 3.0 1.2 1.0 ! 498 0.737 1.921 51672 L26 M27 assign (resid 26 and name HN )(resid 25 and name HA ) 3.0 1.2 1.0 ! 500 8.563 4.129 54115 L26 W25 assign (resid 26 and name HN )(resid 25 and name HB# ) 3.0 1.2 1.0 ! 501 8.565 3.225 70423 L26 W25 assign (resid 26 and name HN )(resid 25 and name HB# ) 3.0 1.2 1.0 ! 502 8.562 3.549 82005 L26 W25 assign (resid 26 and name HN )(resid 25 and name HE3 ) 3.0 1.2 1.0 ! 503 8.562 7.308 63764 L26 W25 assign (resid 27 and name HB# )(resid 26 and name HD* ) 3.0 1.2 1.0 ! 509 1.926 0.726 59832 M27 L26 assign (resid 27 and name HN )(resid 26 and name HA ) 3.0 1.2 1.0 ! 515 8.454 3.472 53744 M27 L26 assign (resid 27 and name HN )(resid 26 and name HB# ) 3.0 1.2 1.0 ! 516 8.454 1.398 74987 M27 L26 assign (resid 27 and name HN )(resid 26 and name HB# ) 3.0 1.2 1.0 ! 517 8.455 1.622 58599 M27 L26 assign (resid 27 and name HN )(resid 26 and name HN ) 3.0 1.2 1.0 ! 518 8.456 8.564 89456 M27 L26 assign (resid 22 and name HB# )(resid 23 and name HN ) 4.0 2.2 1.0 ! 417 3.325 8.392 40684 F22 V23 assign (resid 29 and name HG2# )(resid 28 and name HB# ) 3.0 1.2 1.0 ! 526 0.649 2.654 63902 T29 N28 assign (resid 14 and name HB# )(resid 15 and name HB# ) 4.0 2.2 1.0 ! 356 1.466 2.747 45855 L14 D15 assign (resid 14 and name HD* )(resid 15 and name HB# ) 4.0 2.2 1.0 ! 364 0.736 3.079 38218 L14 D15 assign (resid 15 and name HB# )(resid 14 and name HB# ) 4.0 2.2 1.0 ! 370 2.734 1.471 46759 D15 L14 assign (resid 16 and name HB* )(resid 17 and name HB# ) 4.0 2.2 1.0 ! 377 1.497 1.927 40969 X16 R17 assign (resid 18 and name HB# )(resid 17 and name HB# ) 4.0 2.2 1.0 ! 389 1.713 1.971 36590 R18 R17 assign (resid 18 and name HB# )(resid 19 and name HN ) 4.0 2.2 1.0 ! 390 1.921 8.187 49225 R18 A19 assign (resid 18 and name HN )(resid 19 and name HA ) 4.0 2.2 1.0 ! 393 7.943 4.175 31305 R18 A19 assign (resid 19 and name HB# )(resid 20 and name HB# ) 4.0 2.2 1.0 ! 399 1.515 2.063 36097 A19 Q20 assign (resid 19 and name HB# )(resid 20 and name HG# ) 4.0 2.2 1.0 ! 400 1.502 2.590 48146 A19 Q20 assign (resid 22 and name HD# )(resid 23 and name HA ) 4.0 2.2 1.0 ! 420 7.155 3.489 41392 F22 V23 assign (resid 22 and name HE# )(resid 23 and name HA ) 4.0 2.2 1.0 ! 424 7.229 3.486 33351 F22 V23 assign (resid 22 and name HE# )(resid 23 and name HG* ) 4.0 2.2 1.0 ! 425 7.225 1.132 49555 F22 V23 assign (resid 23 and name HG* )(resid 22 and name HD# ) 4.0 2.2 1.0 ! 432 0.936 7.146 31124 V23 F22 assign (resid 23 and name HG* )(resid 22 and name HE# ) 4.0 2.2 1.0 ! 433 1.132 7.227 37332 V23 F22 assign (resid 23 and name HG* )(resid 22 and name HB# ) 4.0 2.2 1.0 ! 439 1.137 3.240 30688 V23 F22 assign (resid 23 and name HN )(resid 22 and name HA ) 4.0 2.2 1.0 ! 443 8.391 4.408 37831 V23 F22 assign (resid 23 and name HN )(resid 22 and name HD* ) 4.0 2.2 1.0 ! 446 8.395 7.155 44132 V23 F22 assign (resid 23 and name HN )(resid 24 and name HB# ) 4.0 2.2 1.0 ! 447 8.395 2.249 34787 V23 Q24 assign (resid 24 and name HB# )(resid 25 and name HN ) 4.0 2.2 1.0 ! 449 2.088 8.067 43498 Q24 W25 assign (resid 24 and name HN )(resid 23 and name HA ) 4.0 2.2 1.0 ! 453 8.156 3.482 36425 Q24 V23 assign (resid 24 and name HN )(resid 25 and name HA ) 4.0 2.2 1.0 ! 458 8.156 4.136 37877 Q24 W25 assign (resid 24 and name HN )(resid 25 and name HB# ) 4.0 2.2 1.0 ! 459 8.157 3.225 40341 Q24 W25 assign (resid 24 and name HN )(resid 25 and name HB# ) 4.0 2.2 1.0 ! 460 8.151 3.557 30548 Q24 W25 assign (resid 2 and name HB* )(resid 3 and name HB# ) 4.0 2.2 1.0 ! 318 1.317 2.012 32597 X2 Q3 assign (resid 12 and name HG# )(resid 12 and name HA ) 2.5 0.7 0.5 ! 485 1.394 4.033 147721 assign (resid 25 and name HB# )(resid 26 and name HN ) 4.0 2.2 1.0 ! 462 3.223 8.558 45532 W25 L26 assign (resid 25 and name HZ3 )(resid 26 and name HA ) 4.0 2.2 1.0 ! 473 6.942 3.457 38143 W25 L26 assign (resid 25 and name HZ3 )(resid 26 and name HB# ) 4.0 2.2 1.0 ! 474 6.939 1.408 37158 W25 L26 assign (resid 25 and name HZ3 )(resid 26 and name HN ) 4.0 2.2 1.0 ! 477 6.938 8.563 36917 W25 L26 assign (resid 25 and name HN )(resid 24 and name HA ) 4.0 2.2 1.0 ! 479 8.071 3.898 36227 W25 Q24 assign (resid 26 and name HA )(resid 25 and name HE3 ) 4.0 2.2 1.0 ! 483 3.458 7.292 47678 L26 W25 assign (resid 26 and name HB# )(resid 25 and name HE3 ) 4.0 2.2 1.0 ! 488 1.619 7.301 40298 L26 W25 assign (resid 29 and name HG2# )(resid 25 and name HA ) 4.0 2.2 1.0 ! 493 0.651 4.134 39103 L26 W25 assign (resid 26 and name HN )(resid 25 and name HZ3 ) 4.0 2.2 1.0 ! 505 8.560 6.938 34288 L26 W25 assign (resid 27 and name HN )(resid 28 and name HN ) 4.0 2.2 1.0 ! 519 8.456 7.714 45226 M27 N28 assign (resid 28 and name HB# )(resid 29 and name HG2# ) 4.0 2.2 1.0 ! 521 2.646 0.651 47240 N28 T29 assign (resid 28 and name HN )(resid 27 and name HA ) 4.0 2.2 1.0 ! 522 7.719 4.036 31086 N28 M27 assign (resid 28 and name HN )(resid 27 and name HB# ) 4.0 2.2 1.0 ! 523 7.719 2.054 34567 N28 M27 assign (resid 28 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0 ! 525 7.719 8.454 48990 N28 M27 assign (resid 5 and name HG2# )(resid 4 and name HA# ) 2.5 0.7 0.5 ! 326 1.132 3.951 170645 T5 G4 assign (resid 5 and name HG2# )(resid 6 and name HA ) 4.0 2.2 1.0 ! 325 1.137 4.302 36316 T5 F6 assign (resid 6 and name HB# )(resid 7 and name HA ) 4.0 2.2 1.0 ! 327 3.105 3.912 41107 F6 T7 assign (resid 6 and name HD* )(resid 7 and name HA ) 4.0 2.2 1.0 ! 330 7.089 3.908 41945 F6 T7 assign (resid 4 and name HA# )(resid 5 and name HG2# ) 4.0 2.2 1.0 ! 337 3.945 1.134 46998 G4 T5 assign (resid 7 and name HG2# )(resid 6 and name HD* ) 4.0 2.2 1.0 ! 335 1.284 7.094 33296 T7 F6 assign (resid 23 and name HB )(resid 24 and name HN ) 4.0 2.2 1.0 ! 429 2.135 8.151 32301 V23 Q24 assign (resid 19 and name HB# )(resid 20 and name HB# ) 3.0 1.2 1.0 ! 398 1.505 2.279 67843 A19 Q20 assign (resid 19 and name HB# )(resid 20 and name HN ) 3.0 1.2 1.0 ! 401 1.507 8.190 92600 A19 Q20 assign (resid 23 and name HG* )(resid 24 and name HN ) 3.0 1.2 1.0 ! 435 0.936 8.153 50645 V23 Q24 !intraresidue assign (resid 21 and name HB2 )(resid 21 and name HB1 ) 2.5 0.7 0.5 ! 168 3.170 2.789 303224 D21 D21 assign (resid 21 and name HB1 )(resid 21 and name HB2 ) 2.5 0.7 0.5 ! 169 2.770 3.164 374171 D21 D21 assign (resid 22 and name HB2 )(resid 22 and name HB1 ) 2.5 0.7 0.5 ! 173 3.319 3.216 341868 F22 F22 assign (resid 22 and name HB1 )(resid 22 and name HB2 ) 2.5 0.7 0.5 ! 175 3.223 3.316 354479 F22 F22 assign (resid 22 and name HB1 )(resid 22 and name HD* ) 2.5 0.7 0.5 ! 176 3.226 7.149 122302 F22 F22 assign (resid 12 and name HA )(resid 12 and name HG# ) 3.0 1.2 1.0 ! 507 4.034 1.391 59949 assign (resid 13 and name H2# )(resid 13 and name H3# ) 2.5 0.7 0.5 ! 118 2.181 1.501 126470 X32 X32 assign (resid 13 and name H3# )(resid 13 and name H2# ) 2.5 0.7 0.5 ! 120 1.478 2.159 104005 X32 X32 assign (resid 13 and name H3# )(resid 13 and name H4# ) 2.5 0.7 0.5 ! 122 1.509 1.207 313772 X32 X32 assign (resid 13 and name H4# )(resid 13 and name H3# ) 2.5 0.7 0.5 ! 124 1.213 1.493 418414 X32 X32 assign (resid 13 and name H4# )(resid 13 and name H2# ) 3.0 1.2 1.0 ! 123 1.205 2.152 76696 X32 X32 assign (resid 13 and name HA2 )(resid 13 and name HH# ) 4.0 2.2 1.0 ! 12 4.361 2.299 42643 X30 X30 assign (resid 13 and name HA3 )(resid 13 and name HJ# ) 4.0 2.2 1.0 ! 22 4.398 1.867 42332 X31 X31 assign (resid 13 and name HI# )(resid 13 and name HA2 ) 2.5 0.7 0.5 ! 14 2.127 4.375 245692 X30 X30 assign (resid 13 and name HI# )(resid 13 and name HA2 ) 2.5 0.7 0.5 ! 15 1.848 4.375 216797 X30 X30 assign (resid 13 and name HI# )(resid 13 and name HH# ) 2.5 0.7 0.5 ! 18 1.840 2.293 293758 X30 X30 assign (resid 13 and name HH# )(resid 13 and name HA2 ) 2.5 0.7 0.5 ! 19 2.294 4.375 130089 X30 X30 assign (resid 13 and name HH# )(resid 13 and name HI# ) 2.5 0.7 0.5 ! 20 2.296 1.841 248096 X30 X30 assign (resid 13 and name HJ# )(resid 13 and name HK# ) 2.5 0.7 0.5 ! 25 1.851 2.220 324022 X31 X31 assign (resid 13 and name HK# )(resid 13 and name HA3 ) 2.5 0.7 0.5 ! 26 2.224 4.393 232802 X31 X31 assign (resid 13 and name HK# )(resid 13 and name HJ# ) 2.5 0.7 0.5 ! 27 2.223 1.864 274256 X31 X31 assign (resid 13 and name HA2 )(resid 13 and name HI# ) 3.0 1.2 1.0 ! 11 4.372 1.845 58154 X30 X30 assign (resid 13 and name HA2 )(resid 13 and name HH# ) 3.0 1.2 1.0 ! 13 4.363 2.132 54062 X30 X30 assign (resid 13 and name HA3 )(resid 13 and name HK# ) 3.0 1.2 1.0 ! 23 4.396 2.223 57168 X31 X31 assign (resid 13 and name HA3 )(resid 13 and name HJ# ) 3.0 1.2 1.0 ! 24 4.396 2.130 64911 X31 X31 assign (resid 13 and name H2# )(resid 13 and name H4# ) 3.0 1.2 1.0 ! 119 2.164 1.205 89676 X32 X32 assign (resid 13 and name H3# )(resid 13 and name H4# ) 3.0 1.2 1.0 ! 121 1.506 1.308 64924 X32 X32 assign (resid 14 and name HA )(resid 14 and name HD* ) 2.5 0.7 0.5 ! 102 3.944 0.736 211621 L14 L14 assign (resid 14 and name HB# )(resid 14 and name HA ) 2.5 0.7 0.5 ! 104 1.625 3.946 214662 L14 L14 assign (resid 14 and name HB# )(resid 14 and name HG ) 2.5 0.7 0.5 ! 105 1.463 1.640 118693 L14 L14 assign (resid 14 and name HB# )(resid 14 and name HA ) 2.5 0.7 0.5 ! 106 1.396 3.946 134538 L14 L14 assign (resid 14 and name HD* )(resid 14 and name HA ) 2.5 0.7 0.5 ! 108 0.737 3.942 565679 L14 L14 assign (resid 14 and name HD* )(resid 14 and name HB# ) 2.5 0.7 0.5 ! 109 0.737 1.462 523645 L14 L14 assign (resid 14 and name HG )(resid 14 and name HB# ) 2.5 0.7 0.5 ! 110 1.463 0.735 406846 L14 L14 assign (resid 15 and name HB# )(resid 15 and name HA ) 2.5 0.7 0.5 ! 113 2.744 4.243 194221 D15 D15 assign (resid 15 and name HB# )(resid 15 and name HA ) 2.5 0.7 0.5 ! 114 3.058 4.243 176082 D15 D15 assign (resid 15 and name HB1 )(resid 15 and name HB2 ) 2.5 0.7 0.5 ! 115 2.728 3.041 513223 D15 D15 assign (resid 15 and name HB2 )(resid 15 and name HB1 ) 2.5 0.7 0.5 ! 116 3.049 2.736 395537 D15 D15 assign (resid 17 and name HB1 )(resid 17 and name HB2 ) 2.5 0.7 0.5 ! 126 1.853 1.968 118149 R17 R17 assign (resid 17 and name HB# )(resid 17 and name HD* ) 2.5 0.7 0.5 ! 128 1.843 3.085 132106 R17 R17 assign (resid 17 and name HB# )(resid 17 and name HG# ) 2.5 0.7 0.5 ! 129 1.840 1.562 247816 R17 R17 assign (resid 17 and name HB# )(resid 17 and name HG# ) 2.5 0.7 0.5 ! 130 1.899 1.564 117363 R17 R17 assign (resid 17 and name HD* )(resid 17 and name HA ) 2.5 0.7 0.5 ! 131 3.134 3.976 225635 R17 R17 assign (resid 17 and name HD* )(resid 17 and name HB# ) 2.5 0.7 0.5 ! 132 3.101 1.835 122863 R17 R17 assign (resid 18 and name HA )(resid 18 and name HB# ) 2.5 0.7 0.5 ! 134 3.994 1.920 101129 R18 R18 assign (resid 18 and name HB# )(resid 18 and name HA ) 2.5 0.7 0.5 ! 137 1.921 3.983 222997 R18 R18 assign (resid 18 and name HB2 )(resid 18 and name HB1 ) 2.5 0.7 0.5 ! 139 1.926 1.741 455773 R18 R18 assign (resid 18 and name HB# )(resid 18 and name HD* ) 2.5 0.7 0.5 ! 140 1.925 3.155 194050 R18 R18 assign (resid 18 and name HB# )(resid 18 and name HG# ) 2.5 0.7 0.5 ! 141 1.941 1.676 220025 R18 R18 assign (resid 18 and name HB# )(resid 18 and name HN ) 2.5 0.7 0.5 ! 142 1.929 7.923 158287 R18 R18 assign (resid 18 and name HD* )(resid 18 and name HB# ) 2.5 0.7 0.5 ! 143 3.163 1.924 159714 R18 R18 assign (resid 18 and name HD* )(resid 18 and name HG# ) 2.5 0.7 0.5 ! 144 3.172 1.730 139526 R18 R18 assign (resid 18 and name HG# )(resid 18 and name HD* ) 2.5 0.7 0.5 ! 146 1.745 3.175 124967 R18 R18 assign (resid 18 and name HG# )(resid 18 and name HD* ) 2.5 0.7 0.5 ! 147 1.693 3.174 108691 R18 R18 assign (resid 18 and name HN )(resid 18 and name HA ) 2.5 0.7 0.5 ! 149 7.922 4.008 147289 R18 R18 assign (resid 18 and name HN )(resid 18 and name HB# ) 2.5 0.7 0.5 ! 150 7.924 1.926 212145 R18 R18 assign (resid 19 and name HA )(resid 19 and name HB# ) 2.5 0.7 0.5 ! 153 4.183 1.510 159079 A19 A19 assign (resid 19 and name HB# )(resid 19 and name HA ) 2.5 0.7 0.5 ! 154 1.510 4.177 724253 A19 A19 assign (resid 20 and name HB# )(resid 20 and name HG# ) 2.5 0.7 0.5 ! 157 2.281 2.580 388799 Q20 Q20 assign (resid 20 and name HG# )(resid 20 and name HB# ) 2.5 0.7 0.5 ! 159 2.580 2.282 306437 Q20 Q20 assign (resid 20 and name HN )(resid 20 and name HA ) 2.5 0.7 0.5 ! 161 8.195 3.955 137848 Q20 Q20 assign (resid 21 and name HB# )(resid 21 and name HA ) 2.5 0.7 0.5 ! 166 2.778 4.437 353888 D21 D21 assign (resid 22 and name HA )(resid 22 and name HB# ) 2.5 0.7 0.5 ! 170 4.402 3.227 113662 F22 F22 assign (resid 22 and name HB# )(resid 22 and name HA ) 2.5 0.7 0.5 ! 174 3.226 4.400 229842 F22 F22 assign (resid 22 and name HB2 )(resid 22 and name HA ) 2.5 0.7 0.5 ! 177 3.324 4.399 102219 F22 F22 assign (resid 22 and name HD* )(resid 22 and name HA ) 2.5 0.7 0.5 ! 179 7.153 4.401 209152 F22 F22 assign (resid 22 and name HD* )(resid 22 and name HB# ) 2.5 0.7 0.5 ! 180 7.153 3.224 219485 F22 F22 assign (resid 22 and name HD* )(resid 22 and name HB# ) 2.5 0.7 0.5 ! 181 7.159 3.310 184363 F22 F22 assign (resid 22 and name HD* )(resid 22 and name HE# ) 2.5 0.7 0.5 ! 182 7.154 7.227 2261954 F22 F22 assign (resid 22 and name HE# )(resid 22 and name HD* ) 2.5 0.7 0.5 ! 186 7.215 7.143 949862 F22 F22 assign (resid 23 and name HA )(resid 23 and name HB ) 2.5 0.7 0.5 ! 188 3.495 2.144 105679 V23 V23 assign (resid 23 and name HA )(resid 23 and name HG* ) 2.5 0.7 0.5 ! 189 3.493 0.933 186216 V23 V23 assign (resid 23 and name HA )(resid 23 and name HG* ) 2.5 0.7 0.5 ! 190 3.493 1.130 280421 V23 V23 assign (resid 23 and name HA )(resid 23 and name HN ) 2.5 0.7 0.5 ! 191 3.492 8.395 107953 V23 V23 assign (resid 23 and name HB )(resid 23 and name HA ) 2.5 0.7 0.5 ! 192 2.141 3.491 135031 V23 V23 assign (resid 23 and name HB )(resid 23 and name HG* ) 2.5 0.7 0.5 ! 193 2.144 0.933 324999 V23 V23 assign (resid 23 and name HB )(resid 23 and name HG* ) 2.5 0.7 0.5 ! 194 2.145 1.128 305746 V23 V23 assign (resid 23 and name HB )(resid 23 and name HN ) 2.5 0.7 0.5 ! 195 2.145 8.391 175121 V23 V23 assign (resid 23 and name HG2# )(resid 23 and name HG1# ) 2.5 0.7 0.5 ! 196 1.132 0.931 745917 V23 V23 assign (resid 23 and name HG* )(resid 23 and name HA ) 2.5 0.7 0.5 ! 197 0.934 3.490 287948 V23 V23 assign (resid 23 and name HG* )(resid 23 and name HB ) 2.5 0.7 0.5 ! 198 0.933 2.141 410195 V23 V23 assign (resid 23 and name HG1# )(resid 23 and name HG2# ) 2.5 0.7 0.5 ! 199 0.930 1.125 688121 V23 V23 assign (resid 23 and name HG* )(resid 23 and name HA ) 2.5 0.7 0.5 ! 201 1.132 3.490 459407 V23 V23 assign (resid 23 and name HG* )(resid 23 and name HB ) 2.5 0.7 0.5 ! 202 1.132 2.143 426802 V23 V23 assign (resid 23 and name HG* )(resid 23 and name HN ) 2.5 0.7 0.5 ! 203 1.133 8.391 327725 V23 V23 assign (resid 23 and name HN )(resid 23 and name HA ) 2.5 0.7 0.5 ! 204 8.394 3.491 156358 V23 V23 assign (resid 23 and name HN )(resid 23 and name HB ) 2.5 0.7 0.5 ! 205 8.393 2.145 199384 V23 V23 assign (resid 23 and name HN )(resid 23 and name HG* ) 2.5 0.7 0.5 ! 207 8.393 1.132 293833 V23 V23 assign (resid 24 and name HB# )(resid 24 and name HA ) 2.5 0.7 0.5 ! 212 2.273 3.914 199375 Q24 Q24 assign (resid 24 and name HB# )(resid 24 and name HA ) 2.5 0.7 0.5 ! 213 2.075 3.892 118939 Q24 Q24 assign (resid 24 and name HB2 )(resid 24 and name HB1 ) 2.5 0.7 0.5 ! 214 2.264 2.075 651979 Q24 Q24 assign (resid 24 and name HB1 )(resid 24 and name HB2 ) 2.5 0.7 0.5 ! 215 2.091 2.272 731904 Q24 Q24 assign (resid 24 and name HB# )(resid 24 and name HN ) 2.5 0.7 0.5 ! 217 2.269 8.161 147590 Q24 Q24 assign (resid 24 and name HB# )(resid 24 and name HG# ) 2.5 0.7 0.5 ! 219 2.276 2.494 320871 Q24 Q24 assign (resid 24 and name HG# )(resid 24 and name HB# ) 2.5 0.7 0.5 ! 222 2.500 2.275 262491 Q24 Q24 assign (resid 24 and name HN )(resid 24 and name HA ) 2.5 0.7 0.5 ! 224 8.156 3.890 131672 Q24 Q24 assign (resid 24 and name HN )(resid 24 and name HB# ) 2.5 0.7 0.5 ! 225 8.154 2.093 118403 Q24 Q24 assign (resid 24 and name HN )(resid 24 and name HB# ) 2.5 0.7 0.5 ! 226 8.155 2.261 157867 Q24 Q24 assign (resid 25 and name HB# )(resid 25 and name HA ) 2.5 0.7 0.5 ! 230 3.228 4.141 172106 W25 W25 assign (resid 25 and name HB1 )(resid 25 and name HB2 ) 2.5 0.7 0.5 ! 231 3.227 3.553 239532 W25 W25 assign (resid 25 and name HB2 )(resid 25 and name HB1 ) 2.5 0.7 0.5 ! 236 3.558 3.226 161556 W25 W25 assign (resid 25 and name HE3 )(resid 25 and name HA ) 2.5 0.7 2.8 ! 240 7.300 4.132 106070 W25 W25 assign (resid 25 and name HE3 )(resid 25 and name HB# ) 2.5 0.7 1.5 ! 241 7.300 3.226 110129 W25 W25 assign (resid 25 and name HE3 )(resid 25 and name HB# ) 2.5 0.7 2.0 ! 242 7.300 3.553 131119 W25 W25 assign (resid 25 and name HE3 )(resid 25 and name HZ3 ) 2.5 0.7 0.5 ! 244 7.299 6.949 516008 W25 W25 assign (resid 25 and name HZ2 )(resid 25 and name HH2 ) 2.5 0.7 0.5 ! 245 7.278 7.079 812773 W25 W25 assign (resid 25 and name HD1 )(resid 25 and name HA ) 2.5 0.7 0.5 ! 246 6.937 4.132 184588 W25 W25 assign (resid 25 and name HD1 )(resid 25 and name HB# ) 2.5 0.7 2.0 ! 247 6.938 3.226 155761 W25 W25 assign (resid 25 and name HD1 )(resid 25 and name HB# ) 2.5 0.7 0.5 ! 248 6.938 3.554 116070 W25 W25 assign (resid 25 and name HZ3 )(resid 25 and name HE3 ) 2.5 0.7 0.5 ! 249 6.949 7.295 425028 W25 W25 assign (resid 25 and name HZ3 )(resid 25 and name HH2 ) 2.5 0.7 0.5 ! 251 6.947 7.066 425707 W25 W25 assign (resid 25 and name HN )(resid 25 and name HA ) 2.5 0.7 0.5 ! 252 8.074 4.133 151156 W25 W25 assign (resid 25 and name HN )(resid 25 and name HB# ) 2.5 0.7 0.5 ! 253 8.073 3.224 190071 W25 W25 assign (resid 25 and name HN )(resid 25 and name HB# ) 2.5 0.7 0.5 ! 254 8.074 3.553 146937 W25 W25 assign (resid 25 and name HH2 )(resid 25 and name HZ2 ) 2.5 0.7 0.5 ! 257 7.072 7.277 716641 W25 W25 assign (resid 25 and name HH2 )(resid 25 and name HZ3 ) 2.5 0.7 0.5 ! 258 7.072 6.954 642568 W25 W25 assign (resid 26 and name HA )(resid 26 and name HB# ) 2.5 0.7 0.5 ! 259 3.471 1.399 130773 L26 L26 assign (resid 26 and name HA )(resid 26 and name HB# ) 2.5 0.7 0.5 ! 260 3.470 1.621 102698 L26 L26 assign (resid 26 and name HA )(resid 26 and name HD* ) 2.5 0.7 1.5 ! 261 3.466 0.715 173163 L26 L26 assign (resid 26 and name HB# )(resid 26 and name HA ) 2.5 0.7 0.5 ! 263 1.399 3.470 239044 L26 L26 assign (resid 26 and name HB# )(resid 26 and name HD* ) 2.5 0.7 0.5 ! 264 1.395 0.726 623790 L26 L26 assign (resid 26 and name HB# )(resid 26 and name HN ) 2.5 0.7 0.5 ! 265 1.401 8.562 129068 L26 L26 assign (resid 26 and name HB# )(resid 26 and name HA ) 2.5 0.7 0.5 ! 266 1.624 3.471 171175 L26 L26 assign (resid 26 and name HB# )(resid 26 and name HD* ) 2.5 0.7 0.5 ! 267 1.624 0.735 331017 L26 L26 assign (resid 26 and name HD* )(resid 26 and name HA ) 2.5 0.7 0.5 ! 271 0.690 3.473 218663 L26 L26 assign (resid 26 and name HD* )(resid 26 and name HB# ) 2.5 0.7 0.5 ! 273 0.689 1.621 155533 L26 L26 assign (resid 26 and name HD* )(resid 26 and name HB# ) 2.5 0.7 0.5 ! 274 0.688 1.402 419866 L26 L26 assign (resid 26 and name HD* )(resid 26 and name HA ) 2.5 0.7 1.5 ! 275 0.732 3.460 299325 L26 L26 assign (resid 26 and name HD* )(resid 26 and name HB# ) 2.5 0.7 0.5 ! 276 0.734 1.394 751428 L26 L26 assign (resid 26 and name HD* )(resid 26 and name HB# ) 2.5 0.7 0.5 ! 277 0.736 1.620 371299 L26 L26 assign (resid 26 and name HN )(resid 26 and name HA ) 2.5 0.7 0.5 ! 278 8.564 3.461 180161 L26 L26 assign (resid 26 and name HN )(resid 26 and name HB# ) 2.5 0.7 0.5 ! 279 8.564 1.402 177661 L26 L26 assign (resid 26 and name HN )(resid 26 and name HB# ) 2.5 0.7 0.5 ! 280 8.563 1.619 147453 L26 L26 assign (resid 27 and name HB# )(resid 27 and name HA ) 2.5 0.7 0.5 ! 286 1.958 4.023 273676 M27 M27 assign (resid 27 and name HB2 )(resid 27 and name HB1 ) 2.5 0.7 0.5 ! 290 2.050 1.926 183488 M27 M27 assign (resid 27 and name HG# )(resid 27 and name HA ) 2.5 0.7 1.5 ! 293 2.474 4.037 114998 M27 M27 assign (resid 27 and name HG1 )(resid 27 and name HG2 ) 2.5 0.7 0.5 ! 295 2.472 2.653 454541 M27 M27 assign (resid 27 and name HG2 )(resid 27 and name HG1 ) 2.5 0.7 0.5 ! 301 2.653 2.472 474466 M27 M27 assign (resid 27 and name HN )(resid 27 and name HA ) 2.5 0.7 0.5 ! 303 8.455 4.035 187410 M27 M27 assign (resid 27 and name HN )(resid 27 and name HB# ) 2.5 0.7 0.5 ! 305 8.456 2.052 130685 M27 M27 assign (resid 27 and name HN )(resid 27 and name HG# ) 2.5 0.7 0.5 ! 307 8.456 2.655 109829 M27 M27 assign (resid 28 and name HB# )(resid 28 and name HA ) 2.5 0.7 0.5 ! 309 2.648 4.541 348668 N28 N28 assign (resid 29 and name HA )(resid 29 and name HB ) 2.5 0.7 0.5 ! 312 4.039 3.637 188889 T29 T29 assign (resid 29 and name HA )(resid 29 and name HG2# ) 2.5 0.7 0.5 ! 313 4.039 0.649 228650 T29 T29 assign (resid 29 and name HB )(resid 29 and name HA ) 2.5 0.7 0.5 ! 314 3.639 4.039 233930 T29 T29 assign (resid 29 and name HB )(resid 29 and name HG2# ) 2.5 0.7 0.5 ! 315 3.639 0.648 349123 T29 T29 assign (resid 29 and name HG2# )(resid 29 and name HA ) 2.5 0.7 0.5 ! 316 0.649 4.038 475546 T29 T29 assign (resid 29 and name HG2# )(resid 29 and name HB ) 2.5 0.7 0.5 ! 317 0.650 3.637 582002 T29 T29 assign (resid 14 and name HA )(resid 14 and name HB# ) 3.0 1.2 1.0 ! 101 3.942 1.392 90331 L14 L14 assign (resid 14 and name HA )(resid 14 and name HG ) 3.0 1.2 1.0 ! 103 3.943 1.624 92061 L14 L14 assign (resid 14 and name HB# )(resid 14 and name HA ) 3.0 1.2 1.0 ! 107 1.461 3.951 97083 L14 L14 assign (resid 15 and name HA )(resid 15 and name HB# ) 3.0 1.2 1.0 ! 111 4.244 2.742 91631 D15 D15 assign (resid 15 and name HA )(resid 15 and name HB# ) 3.0 1.2 1.0 ! 112 4.245 3.047 68170 D15 D15 assign (resid 17 and name HB# )(resid 17 and name HD* ) 3.0 1.2 1.0 ! 127 1.976 3.103 59710 R17 R17 assign (resid 18 and name HA )(resid 18 and name HD* ) 3.0 1.2 1.0 ! 135 3.988 3.163 90587 R18 R18 assign (resid 18 and name HB1 )(resid 18 and name HB2 ) 3.0 1.2 1.0 ! 138 1.739 1.903 52188 R18 R18 assign (resid 18 and name HG# )(resid 18 and name HB# ) 3.0 1.2 1.0 ! 145 1.692 1.924 75847 R18 R18 assign (resid 18 and name HN )(resid 18 and name HG# ) 3.0 1.2 1.0 ! 152 7.922 1.737 71132 R18 R18 assign (resid 20 and name HA )(resid 20 and name HB# ) 3.0 1.2 1.0 ! 155 3.943 2.272 57199 Q20 Q20 assign (resid 20 and name HG# )(resid 20 and name HA ) 3.0 1.2 1.0 ! 158 2.581 3.937 50169 Q20 Q20 assign (resid 20 and name HN )(resid 20 and name HB# ) 3.0 1.2 1.0 ! 162 8.198 2.265 96666 Q20 Q20 assign (resid 20 and name HN )(resid 20 and name HB# ) 3.0 1.2 1.0 ! 163 8.196 2.069 61126 Q20 Q20 assign (resid 21 and name HA )(resid 21 and name HB# ) 3.0 1.2 1.0 ! 165 4.439 2.781 80800 D21 D21 assign (resid 21 and name HB# )(resid 21 and name HA ) 3.0 1.2 1.0 ! 167 3.167 4.433 88231 D21 D21 assign (resid 22 and name HA )(resid 22 and name HB# ) 3.0 1.2 1.0 ! 171 4.403 3.318 72867 F22 F22 assign (resid 22 and name HB# )(resid 22 and name HD# ) 3.0 1.2 1.0 ! 178 3.324 7.150 94087 F22 F22 assign (resid 22 and name HE# )(resid 22 and name HA ) 3.0 1.2 1.0 ! 183 7.226 4.398 51490 F22 F22 assign (resid 22 and name HE# )(resid 22 and name HB# ) 3.0 1.2 1.0 ! 184 7.227 3.225 51055 F22 F22 assign (resid 22 and name HE# )(resid 22 and name HB# ) 3.0 1.2 1.0 ! 185 7.228 3.333 58877 F22 F22 assign (resid 23 and name HG* )(resid 23 and name HN ) 3.0 1.2 1.0 ! 200 0.933 8.397 95280 V23 V23 assign (resid 23 and name HN )(resid 23 and name HG* ) 3.0 1.2 1.0 ! 206 8.395 0.933 99839 V23 V23 assign (resid 24 and name HA )(resid 24 and name HB# ) 3.0 1.2 1.0 ! 208 3.895 2.282 65687 Q24 Q24 assign (resid 24 and name HA )(resid 24 and name HB# ) 3.0 1.2 1.0 ! 209 3.888 2.241 61196 Q24 Q24 assign (resid 24 and name HA )(resid 24 and name HB# ) 3.0 1.2 1.0 ! 210 3.895 2.073 50856 Q24 Q24 assign (resid 24 and name HB# )(resid 24 and name HG# ) 3.0 1.2 1.0 ! 216 2.092 2.494 94650 Q24 Q24 assign (resid 24 and name HG# )(resid 24 and name HA ) 3.0 1.2 1.0 ! 220 2.495 3.888 73327 Q24 Q24 assign (resid 24 and name HG# )(resid 24 and name HB# ) 3.0 1.2 1.0 ! 221 2.507 2.098 88539 Q24 Q24 assign (resid 24 and name HG# )(resid 24 and name HN ) 3.0 1.2 1.0 ! 223 2.500 8.148 51179 Q24 Q24 assign (resid 24 and name HN )(resid 24 and name HG# ) 3.0 1.2 1.0 ! 227 8.154 2.497 82784 Q24 Q24 assign (resid 25 and name HA )(resid 25 and name HB# ) 3.0 1.2 1.0 ! 229 4.133 3.227 59047 W25 W25 assign (resid 25 and name HB# )(resid 25 and name HE3 ) 3.0 1.2 1.0 ! 232 3.229 7.290 59956 W25 W25 assign (resid 25 and name HB# )(resid 25 and name HN ) 3.0 1.2 1.0 ! 233 3.226 8.081 75858 W25 W25 assign (resid 25 and name HB# )(resid 25 and name HZ3 ) 3.0 1.2 2.0 ! 234 3.226 6.939 70313 W25 W25 assign (resid 25 and name HB# )(resid 25 and name HA ) 3.0 1.2 1.0 ! 235 3.559 4.136 76972 W25 W25 assign (resid 25 and name HB# )(resid 25 and name HN ) 3.0 1.2 1.0 ! 238 3.559 8.072 59060 W25 W25 assign (resid 26 and name HA )(resid 26 and name HN ) 3.0 1.2 1.0 ! 262 3.461 8.560 95752 L26 L26 assign (resid 26 and name HB# )(resid 26 and name HN ) 3.0 1.2 1.0 ! 268 1.622 8.561 98307 L26 L26 assign (resid 26 and name HD* )(resid 26 and name HN ) 3.0 1.2 1.0 ! 269 0.733 8.557 52325 L26 L26 assign (resid 27 and name HA )(resid 27 and name HB# ) 3.0 1.2 1.0 ! 282 4.035 1.956 99762 M27 M27 assign (resid 27 and name HA )(resid 27 and name HN ) 3.0 1.2 1.0 ! 285 4.035 8.453 56162 M27 M27 assign (resid 27 and name HB# )(resid 27 and name HG# ) 3.0 1.2 1.0 ! 287 1.950 2.470 79786 M27 M27 assign (resid 27 and name HB# )(resid 27 and name HG# ) 3.0 1.2 1.0 ! 288 1.945 2.657 99081 M27 M27 assign (resid 27 and name HB# )(resid 27 and name HN ) 3.0 1.2 1.0 ! 289 1.954 8.451 67335 M27 M27 assign (resid 27 and name HB# )(resid 27 and name HG# ) 3.0 1.2 1.0 ! 291 2.039 2.655 80495 M27 M27 assign (resid 27 and name HB# )(resid 27 and name HN ) 3.0 1.2 1.0 ! 292 2.054 8.454 82551 M27 M27 assign (resid 27 and name HG# )(resid 27 and name HB# ) 3.0 1.2 1.0 ! 294 2.476 1.945 78396 M27 M27 assign (resid 27 and name HG# )(resid 27 and name HN ) 3.0 1.2 1.0 ! 296 2.475 8.453 65719 M27 M27 assign (resid 27 and name HG# )(resid 27 and name HN ) 3.0 1.2 1.0 ! 297 2.469 8.451 65016 M27 M27 assign (resid 27 and name HG# )(resid 27 and name HA ) 3.0 1.2 1.0 ! 298 2.657 4.038 97959 M27 M27 assign (resid 27 and name HG# )(resid 27 and name HB# ) 3.0 1.2 1.0 ! 299 2.653 1.950 91177 M27 M27 assign (resid 27 and name HG# )(resid 27 and name HB# ) 3.0 1.2 1.0 ! 300 2.661 2.051 94080 M27 M27 assign (resid 27 and name HG# )(resid 27 and name HN ) 3.0 1.2 1.0 ! 302 2.658 8.455 79608 M27 M27 assign (resid 27 and name HN )(resid 27 and name HB# ) 3.0 1.2 1.0 ! 304 8.456 1.953 96800 M27 M27 assign (resid 27 and name HN )(resid 27 and name HG# ) 3.0 1.2 1.0 ! 306 8.456 2.474 94373 M27 M27 assign (resid 28 and name HB# )(resid 28 and name HN ) 3.0 1.2 1.0 ! 310 2.647 7.716 93317 N28 N28 assign (resid 28 and name HN )(resid 28 and name HA ) 3.0 1.2 1.0 ! 311 7.719 4.532 71147 N28 N28 assign (resid 14 and name HA )(resid 14 and name HB# ) 4.0 2.2 1.0 ! 100 3.941 1.468 43862 L14 L14 assign (resid 17 and name HA )(resid 17 and name HG# ) 4.0 2.2 1.0 ! 125 3.980 1.571 38781 R17 R17 assign (resid 17 and name HG# )(resid 17 and name HA ) 4.0 2.2 1.0 ! 133 1.564 3.975 46166 R17 R17 assign (resid 18 and name HA )(resid 18 and name HN ) 4.0 2.2 1.0 ! 136 4.003 7.916 41000 R18 R18 assign (resid 18 and name HG# )(resid 18 and name HN ) 4.0 2.2 1.0 ! 148 1.741 7.915 33977 R18 R18 assign (resid 18 and name HN )(resid 18 and name HD* ) 4.0 2.2 1.0 ! 151 7.921 3.167 43778 R18 R18 assign (resid 20 and name HA )(resid 20 and name HN ) 4.0 2.2 1.0 ! 156 3.947 8.176 37163 Q20 Q20 assign (resid 20 and name HG# )(resid 20 and name HN ) 4.0 2.2 1.0 ! 160 2.581 8.189 34761 Q20 Q20 assign (resid 20 and name HN )(resid 20 and name HG# ) 4.0 2.2 1.0 ! 164 8.194 2.580 39906 Q20 Q20 assign (resid 22 and name HA )(resid 22 and name HD* ) 4.0 2.2 1.0 ! 172 4.401 7.150 43336 F22 F22 assign (resid 22 and name HE# )(resid 22 and name HN ) 4.0 2.2 2.0 ! 187 7.230 8.420 32984 F22 F22 assign (resid 24 and name HA )(resid 24 and name HN ) 4.0 2.2 1.0 ! 211 3.893 8.151 41603 Q24 Q24 assign (resid 24 and name HB# )(resid 24 and name HN ) 4.0 2.2 1.0 ! 218 2.091 8.145 34610 Q24 Q24 assign (resid 25 and name HA )(resid 25 and name HB# ) 4.0 2.2 1.0 ! 228 4.133 3.550 39719 W25 W25 assign (resid 25 and name HB# )(resid 25 and name HE3 ) 4.0 2.2 1.0 ! 237 3.551 7.296 41700 W25 W25 assign (resid 25 and name HB# )(resid 25 and name HZ3 ) 4.0 2.2 2.0 ! 239 3.560 6.930 37354 W25 W25 assign (resid 25 and name HE3 )(resid 25 and name HN ) 4.0 2.2 1.0 ! 243 7.299 8.072 33255 W25 W25 assign (resid 25 and name HZ3 )(resid 25 and name HN ) 4.0 2.2 1.0 ! 250 6.937 8.070 44847 W25 W25 assign (resid 25 and name HN )(resid 25 and name HE3 ) 4.0 2.2 1.0 ! 255 8.070 7.301 35344 W25 W25 assign (resid 25 and name HN )(resid 25 and name HZ3 ) 4.0 2.2 1.0 ! 256 8.075 6.938 36654 W25 W25 assign (resid 26 and name HD* )(resid 26 and name HN ) 4.0 2.2 1.0 ! 270 0.687 8.558 47958 L26 L26 assign (resid 26 and name HD* )(resid 26 and name HA ) 4.0 2.2 1.0 ! 272 0.649 3.459 49745 L26 L26 assign (resid 26 and name HN )(resid 26 and name HD* ) 4.0 2.2 1.0 ! 281 8.562 0.708 48647 L26 L26 assign (resid 27 and name HA )(resid 27 and name HG# ) 4.0 2.2 1.0 ! 283 4.038 2.652 39147 M27 M27 assign (resid 27 and name HA )(resid 27 and name HG# ) 4.0 2.2 1.0 ! 284 4.041 2.469 32662 M27 M27 assign (resid 28 and name HA )(resid 28 and name HB# ) 4.0 2.2 1.0 ! 308 4.531 2.646 42814 N28 N28 assign (resid 12 and name HG# )(resid 12 and name HA ) 2.5 0.7 0.5 ! 485 1.394 4.033 147721 assign (resid 12 and name HA )(resid 12 and name HG# ) 3.0 1.2 1.0 ! 507 4.034 1.391 59949 M27 L26 assign (resid 1 and name HB2 )(resid 1 and name HB1 ) 2.5 0.7 0.5 ! 4 3.383 3.277 323170 H1 H1 assign (resid 1 and name HB1 )(resid 1 and name HB2 ) 2.5 0.7 0.5 ! 5 3.277 3.387 364283 H1 H1 assign (resid 1 and name HD* )(resid 1 and name HB# ) 2.5 0.7 0.5 ! 7 7.195 3.287 109416 H1 H1 assign (resid 1 and name HD* )(resid 1 and name HB# ) 2.5 0.7 0.5 ! 8 7.198 3.388 105991 H1 H1 assign (resid 2 and name HB1# )(resid 2 and name HB2# ) 2.5 0.7 0.5 ! 21 1.315 1.406 858398 X2 X2 assign (resid 3 and name HA )(resid 3 and name HB# ) 2.5 0.7 0.5 ! 28 3.979 2.037 162017 Q3 Q3 assign (resid 3 and name HB# )(resid 3 and name HA ) 2.5 0.7 0.5 ! 30 2.054 3.983 382586 Q3 Q3 assign (resid 3 and name HB# )(resid 3 and name HG# ) 2.5 0.7 0.5 ! 31 2.047 2.539 278179 Q3 Q3 assign (resid 3 and name HB# )(resid 3 and name HG# ) 2.5 0.7 0.5 ! 32 2.035 2.359 189835 Q3 Q3 assign (resid 3 and name HG# )(resid 3 and name HB# ) 2.5 0.7 0.5 ! 34 2.543 2.041 184386 Q3 Q3 assign (resid 3 and name HG2 )(resid 3 and name HG1 ) 2.5 0.7 0.5 ! 36 2.534 2.362 411133 Q3 Q3 assign (resid 3 and name HG1 )(resid 3 and name HG2 ) 2.5 0.7 0.5 ! 37 2.361 2.531 320994 Q3 Q3 assign (resid 5 and name HA )(resid 5 and name HG2# ) 2.5 0.7 0.5 ! 39 4.090 1.132 146879 T5 T5 assign (resid 5 and name HB )(resid 5 and name HG2# ) 2.5 0.7 0.5 ! 41 3.874 1.132 231407 T5 T5 assign (resid 5 and name HG2# )(resid 5 and name HA ) 2.5 0.7 0.5 ! 42 1.133 4.088 631137 T5 T5 assign (resid 5 and name HG2# )(resid 5 and name HB ) 2.5 0.7 0.5 ! 43 1.132 3.872 400356 T5 T5 assign (resid 6 and name HA )(resid 6 and name HB# ) 2.5 0.7 0.5 ! 44 4.295 3.094 107584 F6 F6 assign (resid 6 and name HB# )(resid 6 and name HA ) 2.5 0.7 0.5 ! 45 3.103 4.292 224283 F6 F6 assign (resid 6 and name HB# )(resid 6 and name HD* ) 2.5 0.7 0.5 ! 46 3.102 7.091 128067 F6 F6 assign (resid 6 and name HD* )(resid 6 and name HA ) 2.5 0.7 1.1 ! 47 7.090 4.289 147691 F6 F6 assign (resid 6 and name HD* )(resid 6 and name HB# ) 2.5 0.7 0.5 ! 48 7.093 3.101 205256 F6 F6 assign (resid 7 and name HB )(resid 7 and name HG2# ) 2.5 0.7 0.5 ! 50 4.235 1.282 139992 T7 T7 assign (resid 7 and name HA )(resid 7 and name HG2# ) 2.5 0.7 0.5 ! 51 3.909 1.281 242137 T7 T7 assign (resid 7 and name HA )(resid 7 and name HB ) 2.5 0.7 0.5 ! 52 3.909 4.235 180422 T7 T7 assign (resid 7 and name HG2# )(resid 7 and name HB ) 2.5 0.7 0.5 ! 53 1.285 4.233 791775 T7 T7 assign (resid 7 and name HG2# )(resid 7 and name HA ) 2.5 0.7 0.5 ! 54 1.284 3.910 431323 T7 T7 assign (resid 8 and name HB# )(resid 8 and name HA ) 2.5 0.7 0.5 ! 55 3.942 4.083 104486 S8 S8 assign (resid 9 and name HB# )(resid 9 and name HA ) 2.5 0.7 0.5 ! 56 2.966 4.442 158624 D9 D9 assign (resid 9 and name HB2 )(resid 9 and name HB1 ) 2.5 0.7 0.5 ! 57 2.963 2.773 313790 D9 D9 assign (resid 9 and name HB1 )(resid 9 and name HB2 ) 2.5 0.7 0.5 ! 58 2.784 2.980 230472 D9 D9 assign (resid 10 and name HA )(resid 10 and name HB# ) 2.5 0.7 0.5 ! 59 4.121 2.826 149872 Y10 Y10 assign (resid 10 and name HB# )(resid 10 and name HD* ) 2.5 0.7 0.5 ! 61 2.829 6.908 285505 Y10 Y10 assign (resid 10 and name HB2 )(resid 10 and name HA ) 2.5 0.7 0.5 ! 63 2.829 4.116 366633 Y10 Y10 assign (resid 10 and name HD* )(resid 10 and name HA ) 2.5 0.7 0.5 ! 64 6.908 4.115 167344 Y10 Y10 assign (resid 10 and name HD* )(resid 10 and name HE# ) 2.5 0.7 0.5 ! 66 6.911 6.674 1146977 Y10 Y10 assign (resid 10 and name HD# )(resid 10 and name HB# ) 2.5 0.7 0.5 ! 68 6.909 2.827 327310 Y10 Y10 assign (resid 10 and name HE# )(resid 10 and name HD* ) 2.5 0.7 0.5 ! 69 6.673 6.907 1040057 Y10 Y10 assign (resid 11 and name HA )(resid 11 and name HB# ) 2.5 0.7 0.5 ! 70 4.085 3.959 231704 S11 S11 assign (resid 12 and name HB# )(resid 12 and name HG# ) 2.5 0.7 0.5 ! 72 1.730 1.383 183530 K12 K12 assign (resid 12 and name HD* )(resid 12 and name HE# ) 2.5 0.7 0.5 ! 75 1.655 2.956 118500 K12 K12 assign (resid 12 and name HD* )(resid 12 and name HE# ) 2.5 0.7 0.5 ! 76 1.654 2.883 137518 K12 K12 assign (resid 12 and name HD* )(resid 12 and name HG# ) 2.5 0.7 0.5 ! 77 1.623 1.393 684596 K12 K12 assign (resid 12 and name HE# )(resid 12 and name HD* ) 2.5 0.7 0.5 ! 78 2.962 1.656 165327 K12 K12 assign (resid 12 and name HE# )(resid 12 and name HD* ) 2.5 0.7 0.5 ! 79 2.890 1.660 147482 K12 K12 assign (resid 12 and name HE2 )(resid 12 and name HE1 ) 2.5 0.7 0.5 ! 80 2.955 2.893 652458 K12 K12 assign (resid 12 and name HG# )(resid 12 and name HB# ) 2.5 0.7 0.5 ! 83 1.390 1.721 299383 K12 K12 assign (resid 12 and name HG# )(resid 12 and name HD* ) 2.5 0.7 0.5 ! 84 1.395 1.629 810788 K12 K12 assign (resid 13 and name HA )(resid 13 and name HD* ) 2.5 0.7 1.5 ! 88 3.882 1.478 117331 K13 K13 assign (resid 13 and name HB# )(resid 13 and name HA ) 2.5 0.7 0.5 ! 90 1.745 3.880 103623 K13 K13 assign (resid 13 and name HD* )(resid 13 and name HE# ) 2.5 0.7 0.5 ! 91 1.565 3.088 107691 K13 K13 assign (resid 13 and name HE# )(resid 13 and name HD* ) 2.5 0.7 0.5 ! 92 3.093 1.567 111357 K13 K13 assign (resid 13 and name HE# )(resid 13 and name HG# ) 2.5 0.7 0.5 ! 93 3.092 1.382 187982 K13 K13 assign (resid 13 and name HG# )(resid 13 and name HB# ) 2.5 0.7 0.5 ! 95 1.364 1.757 135629 K13 K13 assign (resid 13 and name HG# )(resid 13 and name HE# ) 2.5 0.7 0.5 ! 96 1.375 3.082 244406 K13 K13 assign (resid 1 and name HA )(resid 1 and name HB# ) 3.0 1.2 1.0 ! 1 4.205 3.391 55082 H1 H1 assign (resid 1 and name HB# )(resid 1 and name HA ) 3.0 1.2 1.0 ! 2 3.392 4.212 67653 H1 H1 assign (resid 1 and name HD* )(resid 1 and name HA ) 3.0 1.2 1.0 ! 6 7.195 4.207 76174 H1 H1 assign (resid 1 and name HE1 )(resid 1 and name HE2 ) 3.0 1.2 1.0 ! 9 8.210 7.749 80163 H1 H1 assign (resid 3 and name HG# )(resid 3 and name HA ) 3.0 1.2 1.0 ! 33 2.542 3.981 60739 Q3 Q3 assign (resid 3 and name HG# )(resid 3 and name HB# ) 3.0 1.2 1.0 ! 35 2.369 2.044 64430 Q3 Q3 assign (resid 5 and name HA )(resid 5 and name HB ) 3.0 1.2 1.0 ! 38 4.085 3.883 63526 T5 T5 assign (resid 5 and name HB )(resid 5 and name HA ) 3.0 1.2 1.0 ! 40 3.872 4.091 93616 T5 T5 assign (resid 7 and name HB )(resid 7 and name HA ) 3.0 1.2 1.0 ! 49 4.237 3.914 77974 T7 T7 assign (resid 10 and name HA )(resid 10 and name HD* ) 3.0 1.2 1.0 ! 60 4.123 6.918 66512 Y10 Y10 assign (resid 10 and name HB# )(resid 10 and name HE# ) 3.0 1.2 1.0 ! 62 2.828 6.672 57913 Y10 Y10 assign (resid 10 and name HD* )(resid 10 and name HB# ) 3.0 1.2 1.0 ! 65 6.671 2.827 53165 Y10 Y10 assign (resid 11 and name HB# )(resid 11 and name HA ) 3.0 1.2 1.0 ! 71 3.983 4.082 61881 S11 S11 assign (resid 12 and name HD* )(resid 12 and name HA ) 3.0 1.2 1.0 ! 73 1.856 4.050 72724 K12 K12 assign (resid 12 and name HE# )(resid 12 and name HG# ) 3.0 1.2 1.0 ! 81 2.966 1.396 56883 K12 K12 assign (resid 12 and name HG# )(resid 12 and name HE# ) 3.0 1.2 1.0 ! 86 1.390 2.890 65975 K12 K12 assign (resid 13 and name HA )(resid 13 and name HB# ) 3.0 1.2 1.0 ! 87 3.883 1.766 60100 K13 K13 assign (resid 13 and name HB# )(resid 13 and name HA ) 3.0 1.2 1.0 ! 89 1.784 3.879 95026 K13 K13 assign (resid 13 and name HG# )(resid 13 and name HB# ) 3.0 1.2 1.0 ! 94 1.448 1.759 89885 K13 K13 assign (resid 13 and name HG# )(resid 13 and name HE# ) 3.0 1.2 1.0 ! 97 1.435 3.085 71230 K13 K13 assign (resid 13 and name HN )(resid 13 and name HA ) 3.0 1.2 1.0 ! 98 7.584 3.882 51026 K13 K13 assign (resid 13 and name HN )(resid 13 and name HB# ) 3.0 1.2 1.0 ! 99 7.585 1.765 62225 K13 K13 assign (resid 1 and name HB# )(resid 1 and name HA ) 4.0 2.2 1.0 ! 3 3.281 4.215 47423 H1 H1 assign (resid 1 and name HE2 )(resid 1 and name HE1 ) 4.0 2.2 1.0 ! 10 7.747 8.211 49085 H1 H1 assign (resid 3 and name HA )(resid 3 and name HG# ) 4.0 2.2 1.0 ! 29 3.982 2.369 39354 Q3 Q3 assign (resid 10 and name HE# )(resid 10 and name HA ) 4.0 2.2 1.0 ! 67 6.674 4.119 33424 Y10 Y10 assign (resid 12 and name HD* )(resid 12 and name HA ) 4.0 2.2 1.0 ! 74 1.666 4.055 39082 K12 K12 assign (resid 12 and name HE# )(resid 12 and name HG# ) 4.0 2.2 1.0 ! 82 2.886 1.395 49977 K12 K12 assign (resid 12 and name HG# )(resid 12 and name HE# ) 4.0 2.2 1.0 ! 85 1.382 2.969 48237 K12 K12