NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
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4964 |
1g47   |
4884 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! NOE restraints !M1 !A2 !N3 !A4 !L5 !A6 assign (resid 6 and name HB#) (resid 7 and name HA) 4.0 2.2 1.4 !#A 557 -4.32e+04 !S7 assign (resid 7 and name HA) (resid 7 and name HB1) 3.0 1.2 1.0 !#A 463 6.82e+04 assign (resid 7 and name HB2) (resid 8 and name HA) 4.0 2.2 1.7 !#A 11 -5.10e+04 !A8 assign (resid 8 and name HA) (resid 9 and name HG2#) 4.0 2.2 1.4 !#A 21 5.51e+04 !T9 assign (resid 9 and name HB) (resid 9 and name HA) 2.5 0.7 0.2 !#A 14 1.70e+05 assign (resid 9 and name HA) (resid 14 and name HA) 4.0 2.2 1.0 !#A 540 4.32e+04 assign (resid 9 and name HG2#) (resid 14 and name HA) 4.0 2.2 1.4 !#A 19 7.65e+04 assign (resid 9 and name HB) (resid 14 and name HA) 3.0 1.2 0.3 !#A 16 9.92e+04 assign (resid 9 and name HB) (resid 16 and name HA1) 4.0 2.2 1.7 !#A 482 -4.58e+04 assign (resid 9 and name HA) (resid 16 and name HA1) 4.0 2.2 1.7 !#A 549 -5.81e+04 assign (resid 9 and name HG2#) (resid 16 and name HA2) 2.5 0.7 1.3 !#A 18 1.14e+05 assign (resid 9 and name HA) (resid 17 and name HE2) 4.0 2.2 1.0 !#A 544 3.93e+04 !C10 assign (resid 10 and name HA) (resid 10 and name HB1) 2.5 0.7 0.2 !#A 27 -1.29e+05 assign (resid 10 and name HA) (resid 11 and name HB2) 4.0 2.2 1.7 !#A 470 4.09e+04 assign (resid 10 and name HB1) (resid 14 and name HA) 4.0 2.2 1.0 !#A 556 -5.47e+04 assign (resid 10 and name HB2) (resid 14 and name HA) 4.0 2.2 1.0 !#A 48 6.33e+04 assign (resid 10 and name HN) (resid 14 and name HA) 2.5 0.7 0.2 !#A 548 3.38e+05 assign (resid 10 and name HB2) (resid 15 and name HA1) 4.0 2.2 1.7 !#A 555 -4.77e+04 assign (resid 10 and name HA) (resid 17 and name HE1) 4.0 2.2 1.0 !#A 472 4.38e+04 assign (resid 10 and name HA) (resid 17 and name HZ) 3.0 1.2 0.3 !#A 474 7.30e+04 assign (resid 10 and name HA) (resid 30 and name HN) 4.0 2.2 1.0 !#A 471 4.65e+04 assign (resid 10 and name HA) (resid 30 and name HG) 4.0 2.2 1.0 !#A 545 4.73e+04 assign (resid 10 and name HA) (resid 31 and name HA) 4.0 2.2 1.0 !#A 144 6.64e+04 assign (resid 10 and name HB2) (resid 32 and name HA) 4.0 2.2 1.0 !#A 554 -5.34e+04 !E11 assign (resid 11 and name HG1) (resid 11 and name HA) 4.0 2.2 1.7 !#A 546 5.92e+04 assign (resid 11 and name HA) (resid 11 and name HG2) 4.0 2.2 1.7 !#A 35 -4.69e+04 assign (resid 11 and name HB2) (resid 11 and name HA) 2.5 0.7 0.9 !#A 30 1.31e+05 assign (resid 11 and name HB1) (resid 11 and name HA) 3.0 1.2 1.0 !#A 29 1.01e+05 assign (resid 11 and name HN) (resid 31 and name HA) 4.0 2.2 1.0 !#A 418 5.13e+04 !R12 assign (resid 12 and name HB2) (resid 12 and name HA) 3.0 1.2 1.0 !#A 477 1.06e+05 assign (resid 12 and name HB1) (resid 12 and name HA) 3.0 1.2 1.0 !#A 547 1.06e+05 assign (resid 12 and name HD#) (resid 12 and name HA) 4.0 2.2 1.7 !#A 36 8.32e+04 assign (resid 12 and name HG#) (resid 12 and name HA) 4.0 2.2 1.7 !#A 37 1.28e+05 assign (resid 12 and name HA) (resid 13 and name HN) 4.0 2.2 1.0 !#A 453 7.55e+04 assign (resid 12 and name HD#) (resid 35 and name HA) 4.0 2.2 1.7 !#A 171 7.04e+04 assign (resid 12 and name HA) (resid 37 and name HG2#) 4.0 2.2 2.5 !#A 511 4.41e+04 !C13 assign (resid 13 and name HB2) (resid 13 and name HA) 2.5 0.7 0.2 !#A 44 1.96e+05 assign (resid 13 and name HB1) (resid 13 and name HA) 3.0 1.2 0.3 !#A 43 2.30e+05 !K14 assign (resid 14 and name HG1) (resid 14 and name HA) 4.0 2.2 1.7 !#A 51 4.49e+04 assign (resid 14 and name HD1) (resid 14 and name HA) 4.0 2.2 1.0 !#A 54 8.89e+04 assign (resid 14 and name HA) (resid 14 and name HG2) 4.0 2.2 1.7 !#A 57 4.62e+04 assign (resid 14 and name HD2) (resid 14 and name HA) 3.0 1.2 0.3 !#A 53 8.89e+04 assign (resid 14 and name HA) (resid 14 and name HB2) 3.0 1.2 0.3 !#A 56 8.37e+04 assign (resid 14 and name HB1) (resid 14 and name HA) 2.5 0.7 0.2 !#A 50 1.38e+05 !G15 assign (resid 15 and name HA2) (resid 16 and name HA2) 3.0 1.2 1.7 !#A 65 -6.28e+04 assign (resid 15 and name HA2) (resid 16 and name HA1) 4.0 2.2 2.4 !#A 66 -5.81e+04 assign (resid 15 and name HA1) (resid 17 and name HD1) 4.0 2.2 1.7 !#A 478 -6.25e+04 !G16 assign (resid 16 and name HA1) (resid 17 and name HN) 3.0 1.2 1.0 !#A 445 -9.56e+04 !F17 assign (resid 17 and name HB2) (resid 17 and name HA) 4.0 2.2 1.0 !#A 69 5.49e+04 assign (resid 17 and name HD2) (resid 17 and name HA) 4.0 2.2 1.0 !#A 551 1.40e+05 assign (resid 17 and name HA) (resid 18 and name HB#) 4.0 2.2 1.4 !#A 76 5.26e+04 assign (resid 17 and name HD1) (resid 22 and name HA) 4.0 2.2 1.0 !#A 489 4.65e+04 assign (resid 17 and name HD1) (resid 31 and name HA) 4.0 2.2 1.0 !#A 500 6.02e+04 assign (resid 17 and name HZ) (resid 31 and name HA) 4.0 2.2 1.0 !#A 484 4.78e+04 assign (resid 17 and name HE1) (resid 32 and name HA) 4.0 2.2 1.0 !#A 569 7.17e+04 !A18 assign (resid 18 and name HA) (resid 19 and name HD1) 3.0 1.2 1.0 !#A 90 -1.73e+05 assign (resid 18 and name HA) (resid 19 and name HD2) 3.0 1.2 1.0 !#A 89 -2.93e+05 !P19 assign (resid 19 and name HD1) (resid 23 and name HB) 4.0 2.2 1.7 !#A 492 -3.89e+04 !A20 assign (resid 20 and name HN) (resid 20 and name HA) 3.0 1.2 0.3 !#A 440 -1.66e+05 assign (resid 20 and name HA) (resid 23 and name HG2#) 4.0 2.2 1.4 !#A 487 -4.41e+04 !E21 assign (resid 21 and name HB1) (resid 21 and name HA) 4.0 2.2 1.7 !#A 81 6.02e+04 assign (resid 21 and name HA) (resid 21 and name HB2) 3.0 1.2 1.0 !#A 86 -1.48e+05 assign (resid 21 and name HG1) (resid 21 and name HA) 4.0 2.2 1.7 !#A 82 6.14e+04 assign (resid 21 and name HG2) (resid 21 and name HA) 4.0 2.2 1.7 !#A 85 7.02e+04 assign (resid 21 and name HA) (resid 22 and name HB#) 4.0 2.2 1.7 !#A 83 4.34e+04 assign (resid 21 and name HB1) (resid 22 and name HA) 4.0 2.2 1.7 !#A 558 5.17e+04 assign (resid 21 and name HN) (resid 22 and name HA) 4.0 2.2 1.0 !#A 490 3.92e+04 assign (resid 21 and name HA) (resid 22 and name HG2) 4.0 2.2 1.7 !#A 488 4.47e+04 !K22 assign (resid 22 and name HG2) (resid 22 and name HA) 3.0 1.2 1.0 !#A 91 6.82e+04 assign (resid 22 and name HD#) (resid 22 and name HA) 4.0 2.2 1.0 !#A 92 5.63e+04 assign (resid 22 and name HA) (resid 23 and name HA) 4.0 2.2 1.0 !#A 102 3.59e+04 !I23 assign (resid 23 and name HD1#) (resid 23 and name HA) 3.0 1.2 0.7 !#A 559 1.21e+05 assign (resid 23 and name HB) (resid 23 and name HA) 4.0 2.2 1.0 !#A 98 5.96e+04 assign (resid 23 and name HG2#) (resid 23 and name HA) 3.0 1.2 0.7 !#A 101 1.21e+05 assign (resid 23 and name HG11) (resid 23 and name HA) 4.0 2.2 1.7 !#A 99 5.55e+04 assign (resid 23 and name HG12) (resid 23 and name HA) 4.0 2.2 1.7 !#A 100 5.41e+04 assign (resid 23 and name HG2#) (resid 30 and name HA) 4.0 2.2 1.4 !#A 133 4.09e+04 assign (resid 23 and name HD1#) (resid 30 and name HA) 4.0 2.2 1.4 !#A 562 -5.01e+04 assign (resid 23 and name HA) (resid 32 and name HA) 4.0 2.2 1.0 !#A 568 4.49e+04 !V24 assign (resid 24 and name HG1#) (resid 24 and name HA) 2.5 0.7 0.6 !#A 107 1.72e+05 assign (resid 24 and name HA) (resid 24 and name HG2#) 2.5 0.7 0.6 !#A 112 2.25e+05 assign (resid 24 and name HB) (resid 30 and name HA) 4.0 2.2 1.0 !#A 563 -5.08e+04 assign (resid 24 and name HG2#) (resid 33 and name HA) 4.0 2.2 1.4 !#A 155 2.29e+05 !N25 assign (resid 25 and name HB1) (resid 25 and name HA) 4.0 2.2 1.0 !#A 116 -5.05e+04 assign (resid 25 and name HN) (resid 25 and name HA) 4.0 2.2 1.0 !#A 430 -4.61e+04 assign (resid 25 and name HB2) (resid 25 and name HA) 3.0 1.2 0.3 !#A 115 -8.15e+04 assign (resid 25 and name HB2) (resid 30 and name HA) 3.0 1.2 0.3 !#A 560 -9.74e+04 assign (resid 25 and name HA) (resid 30 and name HD1#) 2.5 0.7 1.7 !#A 565 3.77e+05 !S26 assign (resid 26 and name HA) (resid 26 and name HB2) 4.0 2.2 1.0 !#A 120 3.62e+04 assign (resid 26 and name HA) (resid 26 and name HB1) 3.0 1.2 0.3 !#A 119 7.11e+04 !N27 assign (resid 27 and name HB2) (resid 27 and name HA) 3.0 1.2 1.0 !#A 121 -1.34e+05 assign (resid 27 and name HB1) (resid 27 and name HA) 3.0 1.2 1.0 !#A 122 -1.39e+05 assign (resid 27 and name HA) (resid 28 and name HA1) 4.0 2.2 1.7 !#A 497 -4.84e+04 assign (resid 27 and name HA) (resid 53 and name HA) 4.0 2.2 1.0 !#A 496 -1.03e+05 !G28 !E29 assign (resid 29 and name HB2) (resid 29 and name HA) 4.0 2.2 1.0 !#A 128 5.25e+04 assign (resid 29 and name HB1) (resid 29 and name HA) 3.0 1.2 0.3 !#A 125 1.07e+05 assign (resid 29 and name HG1) (resid 29 and name HA) 3.0 1.2 1.0 !#A 127 6.59e+04 assign (resid 29 and name HG2) (resid 29 and name HA) 3.0 1.2 1.0 !#A 126 6.52e+04 !L30 assign (resid 30 and name HB2) (resid 30 and name HA) 4.0 2.2 1.0 !#A 137 -5.08e+04 assign (resid 30 and name HG) (resid 30 and name HA) 4.0 2.2 1.0 !#A 498 -3.64e+04 assign (resid 30 and name HA) (resid 30 and name HD1#) 2.5 0.7 1.7 !#A 140 3.77e+05 assign (resid 30 and name HB1) (resid 30 and name HA) 3.0 1.2 0.3 !#A 136 -8.87e+04 !Y31 assign (resid 31 and name HN) (resid 31 and name HA) 4.0 2.2 1.0 !#A 419 5.59e+04 assign (resid 31 and name HB2) (resid 31 and name HA) 4.0 2.2 1.0 !#A 143 5.35e+04 assign (resid 31 and name HD1) (resid 31 and name HA) 4.0 2.2 1.0 !#A 567 6.02e+04 assign (resid 31 and name HB1) (resid 31 and name HA) 2.5 0.7 0.2 !#A 142 1.14e+05 assign (resid 31 and name HA) (resid 35 and name HB2) 3.0 1.2 0.3 !#A 566 1.14e+05 assign (resid 31 and name HB1) (resid 36 and name HA) 4.0 2.2 1.0 !#A 570 6.20e+04 assign (resid 31 and name HE2) (resid 57 and name HA) 4.0 2.2 1.0 !#A 502 8.68e+04 !H32 assign (resid 32 and name HN) (resid 32 and name HA) 3.0 1.2 0.3 !#A 417 7.74e+04 assign (resid 32 and name HB#) (resid 33 and name HA) 4.0 2.2 1.7 !#A 151 5.32e+04 assign (resid 32 and name HN) (resid 33 and name HA) 4.0 2.2 1.0 !#A 415 4.98e+04 !E33 assign (resid 33 and name HA) (resid 33 and name HG1) 4.0 2.2 1.7 !#A 158 -7.21e+04 assign (resid 33 and name HG2) (resid 33 and name HA) 4.0 2.2 1.7 !#A 150 7.63e+04 !Q34 assign (resid 34 and name HG#) (resid 34 and name HA) 3.0 1.2 1.0 !#A 160 8.94e+04 assign (resid 34 and name HB2) (resid 34 and name HA) 2.5 0.7 0.9 !#A 161 1.87e+05 assign (resid 34 and name HB1) (resid 34 and name HA) 3.0 1.2 1.0 !#A 162 2.04e+05 assign (resid 34 and name HA) (resid 35 and name HB2) 4.0 2.2 1.0 !#A 505 -5.66e+04 !C35 assign (resid 35 and name HB2) (resid 35 and name HA) 4.0 2.2 1.0 !#A 168 5.40e+04 assign (resid 35 and name HB1) (resid 35 and name HA) 3.0 1.2 0.3 !#A 169 7.73e+04 assign (resid 35 and name HN) (resid 35 and name HA) 3.0 1.2 0.3 !#A 410 7.10e+04 assign (resid 35 and name HA) (resid 37 and name HG1#) 4.0 2.2 2.5 !#A 167 4.66e+04 assign (resid 35 and name HA) (resid 37 and name HG2#) 4.0 2.2 2.5 !#A 575 4.84e+04 !F36 assign (resid 36 and name HB2) (resid 36 and name HA) 4.0 2.2 1.0 !#A 175 6.20e+04 assign (resid 36 and name HB1) (resid 36 and name HA) 3.0 1.2 0.3 !#A 174 9.83e+04 assign (resid 36 and name HD1) (resid 36 and name HA) 3.0 1.2 0.3 !#A 507 1.00e+05 assign (resid 36 and name HA) (resid 37 and name HA) 4.0 2.2 1.0 !#A 538 3.23e+04 assign (resid 36 and name HA) (resid 37 and name HG2#) 4.0 2.2 2.5 !#A 574 4.84e+04 assign (resid 36 and name HA) (resid 52 and name HB2) 4.0 2.2 1.7 !#A 519 -4.08e+04 !V37 assign (resid 37 and name HB) (resid 37 and name HA) 3.0 1.2 0.3 !#A 179 1.58e+05 assign (resid 37 and name HA) (resid 38 and name HB1) 4.0 2.2 1.0 !#A 571 4.17e+04 assign (resid 37 and name HA) (resid 42 and name HB1) 4.0 2.2 1.7 !#A 516 -3.73e+04 assign (resid 37 and name HB) (resid 42 and name HA) 4.0 2.2 1.0 !#A 213 9.53e+04 assign (resid 37 and name HG1#) (resid 42 and name HA) 2.5 0.7 1.7 !#A 212 1.59e+05 assign (resid 37 and name HG2#) (resid 42 and name HA) 4.0 2.2 2.5 !#A 510 9.03e+04 assign (resid 37 and name HG1#) (resid 44 and name HA) 2.5 0.7 1.7 !#A 580 1.15e+05 assign (resid 37 and name HA) (resid 44 and name HA) 3.0 1.2 0.3 !#A 183 9.91e+04 assign (resid 37 and name HG2#) (resid 44 and name HA) 2.5 0.7 1.7 !#A 192 1.61e+05 assign (resid 37 and name HA) (resid 45 and name HB2) 4.0 2.2 1.0 !#A 572 3.76e+04 assign (resid 37 and name HA) (resid 57 and name HE2) 4.0 2.2 1.7 !#A 573 4.06e+04 !C38 assign (resid 38 and name HA) (resid 38 and name HB2) 3.0 1.2 0.3 !#A 196 -7.77e+04 assign (resid 38 and name HA) (resid 39 and name HB#) 4.0 2.2 1.4 !#A 515 5.21e+04 assign (resid 38 and name HA) (resid 57 and name HE2) 3.0 1.2 1.0 !#A 576 6.62e+04 assign (resid 38 and name HA) (resid 58 and name HD2) 4.0 2.2 1.0 !#A 577 7.92e+04 assign (resid 38 and name HA) (resid 58 and name HA) 4.0 2.2 1.0 !#A 314 5.26e+04 assign (resid 38 and name HA) (resid 59 and name HN) 4.0 2.2 1.0 !#A 405 4.96e+04 !A39 assign (resid 39 and name HA) (resid 40 and name HA) 4.0 2.2 1.0 !#A 513 -5.37e+04 assign (resid 39 and name HA) (resid 57 and name HG1) 4.0 2.2 1.7 !#A 522 3.80e+04 assign (resid 39 and name HA) (resid 57 and name HN) 4.0 2.2 1.0 !#A 402 -5.05e+04 assign (resid 39 and name HA) (resid 57 and name HD2) 4.0 2.2 1.0 !#A 578 -5.82e+04 assign (resid 39 and name HB#) (resid 58 and name HA) 4.0 2.2 1.4 !#A 311 4.05e+04 !Q40 assign (resid 40 and name HG1) (resid 40 and name HA) 4.0 2.2 1.7 !#A 207 1.60e+05 assign (resid 40 and name HG2) (resid 40 and name HA) 3.0 1.2 1.0 !#A 203 6.62e+04 !C41 assign (resid 41 and name HA) (resid 41 and name HB2) 3.0 1.2 1.0 !#A 211 -8.90e+04 assign (resid 41 and name HA) (resid 41 and name HB1) 2.5 0.7 0.9 !#A 210 -1.15e+05 !F42 assign (resid 42 and name HB2) (resid 42 and name HA) 4.0 2.2 1.7 !#A 215 5.64e+04 assign (resid 42 and name HB1) (resid 42 and name HA) 3.0 1.2 1.0 !#A 214 1.05e+05 !Q43 assign (resid 43 and name HA) (resid 43 and name HG2) 3.0 1.2 1.0 !#A 221 -6.40e+04 assign (resid 43 and name HN) (resid 43 and name HA) 3.0 1.2 0.3 !#A 398 -6.61e+04 assign (resid 43 and name HG1) (resid 43 and name HA) 3.0 1.2 1.0 !#A 218 -1.12e+05 !Q44 assign (resid 44 and name HG#) (resid 44 and name HA) 2.5 0.7 0.9 !#A 225 1.36e+05 assign (resid 44 and name HB1) (resid 44 and name HA) 3.0 1.2 0.3 !#A 517 1.03e+05 assign (resid 44 and name HB2) (resid 44 and name HA) 3.0 1.2 0.3 !#A 223 7.78e+04 assign (resid 44 and name HA) (resid 45 and name HB2) 4.0 2.2 1.0 !#A 579 1.36e+05 !F45 assign (resid 45 and name HD1) (resid 45 and name HB1) 4.0 2.2 1.0 !#A 236 -4.94e+04 assign (resid 45 and name HB2) (resid 45 and name HA) 4.0 2.2 1.0 !#A 238 4.79e+04 assign (resid 45 and name HA) (resid 45 and name HB1) 3.0 1.2 0.3 !#A 233 -6.67e+04 assign (resid 45 and name HD2) (resid 45 and name HA) 3.0 1.2 0.3 !#A 232 9.57e+04 assign (resid 45 and name HA) (resid 46 and name HD2) 2.5 0.7 0.9 !#A 239 -1.79e+05 assign (resid 45 and name HA) (resid 46 and name HD1) 2.5 0.7 0.9 !#A 240 -1.44e+05 assign (resid 45 and name HD1) (resid 59 and name HA) 4.0 2.2 1.0 !#A 529 1.01e+05 !P46 !E47 assign (resid 47 and name HG1) (resid 47 and name HA) 3.0 1.2 1.0 !#A 583 1.51e+05 assign (resid 47 and name HB2) (resid 47 and name HA) 2.5 0.7 0.9 !#A 242 1.88e+05 assign (resid 47 and name HB1) (resid 47 and name HA) 3.0 1.2 1.0 !#A 585 1.51e+05 !G48 assign (resid 48 and name HA2) (resid 49 and name HA) 4.0 2.2 1.7 !#A 251 5.48e+04 assign (resid 48 and name HA1) (resid 49 and name HA) 4.0 2.2 1.7 !#A 252 -6.88e+04 !L49 assign (resid 49 and name HG) (resid 49 and name HA) 4.0 2.2 1.0 !#A 586 4.48e+04 assign (resid 49 and name HA) (resid 49 and name HD1#) 3.0 1.2 1.8 !#A 263 9.20e+04 assign (resid 49 and name HA) (resid 49 and name HD2#) 3.0 1.2 1.8 !#A 262 8.58e+04 assign (resid 49 and name HA) (resid 52 and name HN) 4.0 2.2 1.0 !#A 587 4.02e+04 !F50 assign (resid 50 and name HA) (resid 50 and name HB1) 3.0 1.2 1.0 !#A 264 -8.26e+04 assign (resid 50 and name HA) (resid 50 and name HB2) 3.0 1.2 1.0 !#A 266 -7.41e+04 assign (resid 50 and name HE1) (resid 52 and name HA) 4.0 2.2 1.0 !#A 518 4.29e+04 assign (resid 50 and name HA) (resid 59 and name HA) 4.0 2.2 1.0 !#A 527 5.06e+04 !Y51 assign (resid 51 and name HN) (resid 51 and name HA) 4.0 2.2 1.0 !#A 270 4.15e+04 assign (resid 51 and name HB1) (resid 51 and name HA) 2.5 0.7 0.2 !#A 268 1.32e+05 assign (resid 51 and name HB2) (resid 51 and name HA) 3.0 1.2 0.3 !#A 588 1.10e+05 assign (resid 51 and name HD2) (resid 51 and name HA) 4.0 2.2 1.0 !#A 589 4.08e+04 assign (resid 51 and name HD2) (resid 60 and name HA) 3.0 1.2 0.3 !#A 602 8.05e+04 !E52 assign (resid 52 and name HG1) (resid 52 and name HA) 4.0 2.2 1.7 !#A 591 9.66e+04 assign (resid 52 and name HB2) (resid 52 and name HA) 3.0 1.2 1.0 !#A 275 9.66e+04 assign (resid 52 and name HG2) (resid 52 and name HA) 4.0 2.2 1.7 !#A 273 4.94e+04 assign (resid 52 and name HA) (resid 57 and name HA) 3.0 1.2 0.3 !#A 276 9.46e+04 assign (resid 52 and name HA) (resid 57 and name HB1) 4.0 2.2 1.0 !#A 521 -3.96e+04 assign (resid 52 and name HA) (resid 58 and name HB2) 4.0 2.2 1.0 !#A 590 3.97e+04 !F53 assign (resid 53 and name HA) (resid 53 and name HB2) 4.0 2.2 1.7 !#A 282 -5.06e+04 assign (resid 53 and name HA) (resid 53 and name HB1) 3.0 1.2 1.0 !#A 283 -6.98e+04 assign (resid 53 and name HA) (resid 54 and name HA) 4.0 2.2 1.0 !#A 289 5.78e+04 !E54 assign (resid 54 and name HG1) (resid 54 and name HA) 3.0 1.2 1.0 !#A 288 1.29e+05 assign (resid 54 and name HG2) (resid 54 and name HA) 3.0 1.2 1.0 !#A 592 2.02e+05 assign (resid 54 and name HB2) (resid 54 and name HA) 2.5 0.7 0.9 !#A 287 1.13e+05 assign (resid 54 and name HB1) (resid 54 and name HA) 2.5 0.7 0.9 !#A 286 2.02e+05 !G55 assign (resid 55 and name HA2) (resid 56 and name HG1) 4.0 2.2 2.4 !#A 595 4.05e+04 !R56 assign (resid 56 and name HA) (resid 56 and name HB2) 4.0 2.2 1.7 !#A 301 -3.86e+04 assign (resid 56 and name HA) (resid 56 and name HB1) 4.0 2.2 1.7 !#A 302 -5.26e+04 assign (resid 56 and name HA) (resid 56 and name HG1) 4.0 2.2 1.7 !#A 303 4.03e+04 !K57 assign (resid 57 and name HA) (resid 57 and name HB1) 4.0 2.2 1.0 !#A 304 -4.54e+04 assign (resid 57 and name HA) (resid 57 and name HE1) 4.0 2.2 1.7 !#A 524 -4.11e+04 assign (resid 57 and name HA) (resid 57 and name HE2) 4.0 2.2 1.7 !#A 525 -6.84e+04 assign (resid 57 and name HA) (resid 57 and name HG1) 4.0 2.2 1.7 !#A 307 5.26e+04 assign (resid 57 and name HA) (resid 57 and name HG2) 3.0 1.2 1.0 !#A 305 6.82e+04 assign (resid 57 and name HA) (resid 58 and name HE1) 4.0 2.2 1.0 !#A 598 6.82e+04 assign (resid 57 and name HA) (resid 58 and name HB2) 4.0 2.2 1.0 !#A 526 -7.71e+04 !Y58 assign (resid 58 and name HB1) (resid 58 and name HA) 3.0 1.2 0.3 !#A 312 7.09e+04 assign (resid 58 and name HN) (resid 58 and name HA) 4.0 2.2 1.0 !#A 309 6.01e+04 assign (resid 58 and name HB2) (resid 58 and name HA) 3.0 1.2 0.3 !#A 313 8.57e+04 assign (resid 58 and name HD2) (resid 58 and name HA) 4.0 2.2 1.0 !#A 597 3.60e+04 !C59 assign (resid 59 and name HN) (resid 59 and name HA) 4.0 2.2 1.0 !#A 319 5.97e+04 assign (resid 59 and name HB1) (resid 59 and name HA) 2.5 0.7 0.2 !#A 316 1.24e+05 assign (resid 59 and name HB2) (resid 59 and name HA) 2.5 0.7 0.2 !#A 317 1.18e+05 assign (resid 59 and name HA) (resid 60 and name HN) 2.5 0.7 0.2 !#A 318 1.95e+05 assign (resid 59 and name HA) (resid 60 and name HA) 4.0 2.2 1.0 !#A 599 4.69e+04 !E60 assign (resid 60 and name HN) (resid 60 and name HA) 3.0 1.2 0.3 !#A 325 8.50e+04 assign (resid 60 and name HB2) (resid 60 and name HA) 2.5 0.7 0.9 !#A 323 1.15e+05 assign (resid 60 and name HG2) (resid 60 and name HA) 3.0 1.2 1.0 !#A 600 1.15e+05 assign (resid 60 and name HG1) (resid 60 and name HA) 2.5 0.7 0.9 !#A 322 1.14e+05 assign (resid 60 and name HB1) (resid 61 and name HA) 4.0 2.2 1.7 !#A 603 7.42e+04 assign (resid 60 and name HA) (resid 63 and name HB1) 3.0 1.2 0.3 !#A 324 7.84e+04 !H61 assign (resid 61 and name HB1) (resid 61 and name HA) 3.0 1.2 1.0 !#A 327 8.25e+04 assign (resid 61 and name HB2) (resid 61 and name HA) 2.5 0.7 0.9 !#A 328 1.44e+05 assign (resid 61 and name HA) (resid 64 and name HN) 3.0 1.2 0.3 !#A 605 1.57e+05 assign (resid 61 and name HA) (resid 64 and name HB1) 4.0 2.2 1.7 !#A 329 5.81e+04 assign (resid 61 and name HA) (resid 64 and name HB2) 4.0 2.2 1.7 !#A 330 7.42e+04 assign (resid 61 and name HA) (resid 65 and name HN) 4.0 2.2 1.0 !#A 604 4.95e+04 !D62 assign (resid 62 and name HB2) (resid 62 and name HA) 3.0 1.2 0.3 !#A 335 6.52e+04 assign (resid 62 and name HB1) (resid 62 and name HA) 2.5 0.7 0.2 !#A 334 1.26e+05 assign (resid 62 and name HA) (resid 65 and name HB#) 2.5 0.7 0.9 !#A 339 1.41e+05 assign (resid 62 and name HA) (resid 65 and name HN) 4.0 2.2 1.0 !#A 337 8.69e+04 assign (resid 62 and name HA) (resid 66 and name HN) 4.0 2.2 1.0 !#A 607 7.71e+04 !F63 assign (resid 63 and name HB1) (resid 63 and name HA) 4.0 2.2 1.0 !#A 343 5.27e+04 assign (resid 63 and name HD2) (resid 63 and name HA) 3.0 1.2 0.3 !#A 608 8.67e+04 assign (resid 63 and name HB2) (resid 63 and name HA) 3.0 1.2 0.3 !#A 344 8.81e+04 assign (resid 63 and name HA) (resid 65 and name HB#) 4.0 2.2 1.7 !#A 531 -4.78e+04 assign (resid 63 and name HA) (resid 66 and name HG) 4.0 2.2 1.0 !#A 342 5.71e+04 assign (resid 63 and name HA) (resid 66 and name HN) 4.0 2.2 1.0 !#A 530 4.08e+04 !Q64 assign (resid 64 and name HB2) (resid 64 and name HA) 3.0 1.2 1.0 !#A 349 8.63e+04 assign (resid 64 and name HG2) (resid 64 and name HA) 4.0 2.2 1.7 !#A 352 4.43e+04 assign (resid 64 and name HA) (resid 64 and name HG1) 4.0 2.2 1.7 !#A 357 -5.01e+04 assign (resid 64 and name HB1) (resid 64 and name HA) 3.0 1.2 1.0 !#A 350 9.70e+04 assign (resid 64 and name HA) (resid 66 and name HG) 4.0 2.2 1.0 !#A 351 8.21e+04 assign (resid 64 and name HA) (resid 68 and name HB#) 4.0 2.2 1.4 !#A 612 4.41e+04 !M65 !L66 assign (resid 66 and name HD1#) (resid 66 and name HA) 4.0 2.2 2.5 !#A 364 4.47e+04 assign (resid 66 and name HB2) (resid 66 and name HA) 4.0 2.2 1.0 !#A 366 5.89e+04 assign (resid 66 and name HB1) (resid 66 and name HA) 2.5 0.7 0.2 !#A 363 1.25e+05 assign (resid 66 and name HD2#) (resid 66 and name HA) 2.5 0.7 1.7 !#A 365 2.64e+05 assign (resid 66 and name HG) (resid 66 and name HA) 4.0 2.2 1.0 !#A 367 6.65e+04 !F67 assign (resid 67 and name HN) (resid 67 and name HA) 4.0 2.2 1.0 !#A 374 6.04e+04 assign (resid 67 and name HD2) (resid 67 and name HA) 3.0 1.2 0.3 !#A 611 7.13e+04 assign (resid 67 and name HA) (resid 67 and name HB2) 4.0 2.2 1.0 !#A 378 -4.58e+04 assign (resid 67 and name HB1) (resid 67 and name HA) 3.0 1.2 0.3 !#A 373 1.20e+05 !A68 assign (resid 68 and name HB#) (resid 69 and name HD2) 4.0 2.2 2.1 !#A 534 3.83e+04 assign (resid 68 and name HA) (resid 69 and name HD1) 2.5 0.7 0.9 !#A 381 -1.27e+05 assign (resid 68 and name HA) (resid 69 and name HD2) 2.5 0.7 0.9 !#A 382 -1.27e+05 assign (resid 68 and name HA) (resid 69 and name HB2) 4.0 2.2 1.7 !#A 380 -4.53e+04 assign (resid 68 and name HB#) (resid 70 and name HA) 4.0 2.2 1.4 !#A 537 2.22e+04 !P69 !C70 ! EDITING HIST.: mannually edited: added back the ones that were removed ! in run11; removed the ones that were violated >0.45 A iN RUN 10. Mar29. ! EDITING HIST.: mannually edited some noes from run10, that may ! be spoiling sheet1 on Mar29 ! EDITING HIST.: mannually edited some violated noes from run9 on Mar27 ! Editing history: relaxed S and M NOEs on Fri Mar 24 14:28:40 EST 2000 ! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 16:49:11 EST 2000 ! Editing history: added pseudoatom corrections for nonstereoassigned methylenes (0.7 A) ! on Wed Mar 22 15:52:19 EST 2000 ! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 14:27:24 EST 2000 ! Editing history: relaxed non-HA,HN S and M NOEs on Tue Mar 21 16:07:52 EST 2000 ! Editing history: added pseudoatom corrections for Me and i-Pr groups (0.4 & 1.5 A) ! on Thu Mar 16 14:58:42 EST 2000 !EDIT_HISTORY ! A(460) nh.PCK.uniq Thu Mar 16 11:43:56 2000 !M1 !A2 !N3 !A4 !L5 !A6 assign (resid 6 and name HA) (resid 6 and name HN) 4.0 2.2 1.0 !#A 1 5.26e+04 !S7 assign (resid 7 and name HB1) (resid 7 and name HN) 4.0 2.2 1.7 !#A 501 4.27e+04 assign (resid 7 and name HA) (resid 8 and name HN) 3.0 1.2 0.3 !#A 504 8.69e+04 !A8 assign (resid 8 and name HB#) (resid 8 and name HN) 3.0 1.2 0.7 !#A 2 7.45e+04 assign (resid 8 and name HA) (resid 8 and name HN) 3.0 1.2 0.3 !#A 503 8.69e+04 assign (resid 8 and name HB#) (resid 9 and name HN) 3.0 1.2 0.7 !#A 7 8.53e+04 assign (resid 8 and name HA) (resid 9 and name HN) 2.5 0.7 0.2 !#A 5 4.88e+05 !T9 assign (resid 9 and name HB) (resid 9 and name HN) 4.0 2.2 1.0 !#A 408 3.55e+04 assign (resid 9 and name HG2#) (resid 9 and name HN) 4.0 2.2 1.4 !#A 10 5.68e+04 assign (resid 9 and name HA) (resid 9 and name HN) 3.0 1.2 0.3 !#A 6 1.23e+05 assign (resid 9 and name HB) (resid 10 and name HN) 3.0 1.2 0.3 !#A 16 1.71e+05 assign (resid 9 and name HA) (resid 10 and name HN) 2.5 0.7 0.2 !#A 505 4.89e+05 assign (resid 9 and name HA) (resid 17 and name HN) 4.0 2.2 1.0 !#A 428 4.84e+04 !C10 assign (resid 10 and name HB2) (resid 10 and name HN) 3.0 1.2 0.3 !#A 15 2.31e+05 assign (resid 10 and name HB1) (resid 10 and name HN) 2.5 0.7 0.2 !#A 14 1.77e+05 assign (resid 10 and name HA) (resid 10 and name HN) 3.0 1.2 0.3 !#A 18 4.89e+05 assign (resid 10 and name HB1) (resid 11 and name HN) 4.0 2.2 1.0 !#A 21 3.75e+04 assign (resid 10 and name HA) (resid 11 and name HN) 2.5 0.7 0.2 !#A 24 4.82e+05 assign (resid 10 and name HB1) (resid 13 and name HN) 4.0 2.2 1.0 !#A 38 6.19e+04 assign (resid 10 and name HB2) (resid 14 and name HN) 4.0 2.2 1.0 !#A 50 4.32e+04 assign (resid 10 and name HB2) (resid 15 and name HN) 3.0 1.2 0.3 !#A 55 9.90e+04 assign (resid 10 and name HN) (resid 15 and name HN) 2.5 0.7 0.2 !#A 517 1.57e+05 assign (resid 10 and name HN) (resid 15 and name HA2) 3.0 1.2 1.0 !#A 509 4.89e+05 assign (resid 10 and name HN) (resid 16 and name HA2) 3.0 1.2 1.0 !#A 17 7.12e+04 assign (resid 10 and name HN) (resid 17 and name HN) 4.0 2.2 1.0 !#A 511 5.75e+04 assign (resid 10 and name HN) (resid 17 and name HD2) 4.0 2.2 1.0 !#A 409 3.63e+04 assign (resid 10 and name HB1) (resid 32 and name HN) 4.0 2.2 1.0 !#A 162 6.17e+04 !E11 assign (resid 11 and name HB2) (resid 11 and name HN) 3.0 1.2 1.0 !#A 20 1.49e+05 assign (resid 11 and name HB1) (resid 11 and name HN) 3.0 1.2 1.0 !#A 19 1.37e+05 assign (resid 11 and name HG1) (resid 11 and name HN) 4.0 2.2 1.7 !#A 431 3.72e+04 assign (resid 11 and name HA) (resid 11 and name HN) 3.0 1.2 0.3 !#A 23 1.15e+05 assign (resid 11 and name HA) (resid 12 and name HN) 4.0 2.2 1.0 !#A 31 4.54e+04 assign (resid 11 and name HB2) (resid 12 and name HN) 4.0 2.2 1.7 !#A 27 4.04e+04 assign (resid 11 and name HN) (resid 12 and name HN) 4.0 2.2 1.0 !#A 26 9.16e+04 assign (resid 11 and name HA) (resid 13 and name HN) 4.0 2.2 1.0 !#A 42 4.76e+04 assign (resid 11 and name HN) (resid 17 and name HZ) 4.0 2.2 1.0 !#A 411 3.16e+04 assign (resid 11 and name HN) (resid 29 and name HG2) 4.0 2.2 1.7 !#A 507 6.88e+04 assign (resid 11 and name HB2) (resid 30 and name HN) 3.0 1.2 1.0 !#A 544 9.23e+04 assign (resid 11 and name HB1) (resid 30 and name HN) 4.0 2.2 1.7 !#A 443 3.11e+04 assign (resid 11 and name HN) (resid 30 and name HN) 4.0 2.2 1.0 !#A 508 5.15e+04 assign (resid 11 and name HB1) (resid 32 and name HN) 4.0 2.2 1.7 !#A 450 5.55e+04 !R12 assign (resid 12 and name HG#) (resid 12 and name HN) 4.0 2.2 1.7 !#A 28 3.91e+04 assign (resid 12 and name HB1) (resid 12 and name HN) 4.0 2.2 1.7 !#A 29 2.02e+05 assign (resid 12 and name HA) (resid 12 and name HN) 3.0 1.2 0.3 !#A 32 1.21e+05 assign (resid 12 and name HB2) (resid 13 and name HN) 4.0 2.2 1.7 !#A 39 1.89e+05 assign (resid 12 and name HD#) (resid 13 and name HN) 4.0 2.2 1.7 !#A 412 3.50e+04 assign (resid 12 and name HN) (resid 13 and name HN) 3.0 1.2 0.3 !#A 46 1.93e+05 assign (resid 12 and name HN) (resid 31 and name HA) 4.0 2.2 1.0 !#A 512 3.31e+04 !C13 assign (resid 13 and name HB1) (resid 13 and name HN) 3.0 1.2 0.3 !#A 513 7.93e+04 assign (resid 13 and name HA) (resid 13 and name HN) 3.0 1.2 0.3 !#A 43 7.90e+04 assign (resid 13 and name HA) (resid 14 and name HN) 4.0 2.2 1.0 !#A 52 4.32e+04 assign (resid 13 and name HB2) (resid 14 and name HN) 4.0 2.2 1.0 !#A 414 3.68e+04 assign (resid 13 and name HN) (resid 14 and name HN) 2.5 0.7 0.2 !#A 45 2.28e+05 assign (resid 13 and name HB2) (resid 15 and name HN) 4.0 2.2 1.0 !#A 516 3.40e+04 assign (resid 13 and name HB1) (resid 15 and name HN) 4.0 2.2 1.0 !#A 416 3.85e+04 assign (resid 13 and name HN) (resid 15 and name HN) 4.0 2.2 1.0 !#A 58 6.95e+04 !K14 assign (resid 14 and name HD2) (resid 14 and name HN) 4.0 2.2 1.0 !#A 515 4.98e+04 assign (resid 14 and name HB1) (resid 14 and name HN) 4.0 2.2 1.0 !#A 49 5.03e+04 assign (resid 14 and name HG1) (resid 14 and name HN) 4.0 2.2 1.7 !#A 514 4.07e+04 assign (resid 14 and name HA) (resid 14 and name HN) 2.5 0.7 0.2 !#A 51 4.58e+05 assign (resid 14 and name HN) (resid 15 and name HN) 2.5 0.7 0.2 !#A 429 1.57e+05 assign (resid 14 and name HA) (resid 15 and name HN) 4.0 2.2 1.0 !#A 415 5.67e+04 !G15 assign (resid 15 and name HA2) (resid 15 and name HN) 3.0 1.2 1.0 !#A 57 1.43e+05 assign (resid 15 and name HA1) (resid 15 and name HN) 2.5 0.7 0.9 !#A 56 2.91e+05 assign (resid 15 and name HN) (resid 16 and name HN) 4.0 2.2 1.0 !#A 66 4.40e+04 assign (resid 15 and name HA1) (resid 16 and name HN) 2.5 0.7 0.9 !#A 63 1.90e+05 assign (resid 15 and name HA2) (resid 16 and name HN) 2.5 0.7 0.9 !#A 65 2.94e+05 assign (resid 15 and name HN) (resid 17 and name HD1) 4.0 2.2 1.0 !#A 430 4.71e+04 !G16 assign (resid 16 and name HA2) (resid 16 and name HN) 3.0 1.2 1.0 !#A 64 1.22e+05 assign (resid 16 and name HA1) (resid 16 and name HN) 2.5 0.7 0.9 !#A 62 2.64e+05 assign (resid 16 and name HA2) (resid 17 and name HN) 3.0 1.2 1.0 !#A 30 7.90e+04 !F17 assign (resid 17 and name HB1) (resid 17 and name HN) 4.0 2.2 1.0 !#A 68 4.76e+04 assign (resid 17 and name HB2) (resid 17 and name HN) 4.0 2.2 1.0 !#A 510 5.57e+04 assign (resid 17 and name HD2) (resid 17 and name HN) 3.0 1.2 0.3 !#A 35 7.48e+04 assign (resid 17 and name HN) (resid 18 and name HA) 4.0 2.2 1.0 !#A 33 5.40e+04 assign (resid 17 and name HD2) (resid 18 and name HN) 4.0 2.2 1.0 !#A 519 3.87e+04 assign (resid 17 and name HB1) (resid 18 and name HN) 4.0 2.2 1.0 !#A 72 6.62e+04 assign (resid 17 and name HB2) (resid 18 and name HN) 3.0 1.2 0.3 !#A 71 6.39e+04 assign (resid 17 and name HA) (resid 18 and name HN) 2.5 0.7 0.2 !#A 74 3.12e+05 assign (resid 17 and name HE1) (resid 32 and name HN) 4.0 2.2 1.0 !#A 452 4.89e+04 assign (resid 17 and name HD1) (resid 32 and name HN) 4.0 2.2 1.0 !#A 550 4.10e+04 !A18 assign (resid 18 and name HA) (resid 18 and name HN) 3.0 1.2 0.3 !#A 73 6.36e+04 assign (resid 18 and name HB#) (resid 18 and name HN) 3.0 1.2 0.7 !#A 69 2.74e+05 assign (resid 18 and name HN) (resid 19 and name HG2) 4.0 2.2 1.7 !#A 518 5.01e+04 assign (resid 18 and name HN) (resid 19 and name HB1) 4.0 2.2 1.7 !#A 70 9.00e+04 !P19 assign (resid 19 and name HA) (resid 20 and name HN) 4.0 2.2 1.0 !#A 524 3.48e+05 assign (resid 19 and name HG1) (resid 20 and name HN) 4.0 2.2 1.7 !#A 522 3.22e+04 assign (resid 19 and name HB1) (resid 20 and name HN) 3.0 1.2 1.0 !#A 80 6.43e+04 assign (resid 19 and name HD2) (resid 21 and name HN) 4.0 2.2 1.7 !#A 427 3.93e+04 assign (resid 19 and name HB1) (resid 21 and name HN) 4.0 2.2 1.7 !#A 525 1.75e+05 assign (resid 19 and name HB2) (resid 22 and name HN) 4.0 2.2 1.7 !#A 426 3.54e+04 !A20 assign (resid 20 and name HB#) (resid 20 and name HN) 3.0 1.2 0.7 !#A 520 1.10e+05 assign (resid 20 and name HB#) (resid 21 and name HN) 3.0 1.2 0.7 !#A 84 6.83e+04 assign (resid 20 and name HN) (resid 21 and name HN) 3.0 1.2 0.3 !#A 83 1.41e+05 assign (resid 20 and name HA) (resid 21 and name HN) 4.0 2.2 1.0 !#A 526 2.57e+05 !E21 assign (resid 21 and name HG2) (resid 21 and name HN) 4.0 2.2 1.7 !#A 88 5.43e+04 assign (resid 21 and name HB1) (resid 21 and name HN) 4.0 2.2 1.7 !#A 85 1.64e+05 assign (resid 21 and name HB2) (resid 21 and name HN) 4.0 2.2 1.7 !#A 87 1.75e+05 assign (resid 21 and name HG1) (resid 21 and name HN) 4.0 2.2 1.7 !#A 421 1.01e+05 assign (resid 21 and name HA) (resid 21 and name HN) 3.0 1.2 0.3 !#A 89 2.57e+05 assign (resid 21 and name HG2) (resid 22 and name HN) 4.0 2.2 1.7 !#A 96 4.88e+04 assign (resid 21 and name HB1) (resid 22 and name HN) 4.0 2.2 1.7 !#A 528 5.47e+04 assign (resid 21 and name HN) (resid 22 and name HN) 4.0 2.2 1.0 !#A 91 4.53e+04 assign (resid 21 and name HB2) (resid 22 and name HN) 4.0 2.2 1.7 !#A 98 4.28e+04 assign (resid 21 and name HA) (resid 22 and name HN) 4.0 2.2 1.0 !#A 94 8.00e+05 !K22 assign (resid 22 and name HD#) (resid 22 and name HN) 4.0 2.2 1.0 !#A 101 8.22e+04 assign (resid 22 and name HB#) (resid 22 and name HN) 2.5 0.7 0.9 !#A 100 4.74e+05 assign (resid 22 and name HA) (resid 22 and name HN) 3.0 1.2 0.3 !#A 93 1.28e+05 assign (resid 22 and name HG2) (resid 23 and name HN) 4.0 2.2 1.7 !#A 422 3.73e+04 assign (resid 22 and name HB#) (resid 23 and name HN) 4.0 2.2 1.7 !#A 533 5.81e+04 assign (resid 22 and name HN) (resid 23 and name HA) 4.0 2.2 1.0 !#A 95 5.17e+04 assign (resid 22 and name HA) (resid 23 and name HN) 4.0 2.2 1.0 !#A 108 6.03e+05 assign (resid 22 and name HN) (resid 33 and name HG2) 4.0 2.2 1.7 !#A 531 5.19e+04 !I23 assign (resid 23 and name HG11) (resid 23 and name HN) 4.0 2.2 1.7 !#A 103 5.40e+04 assign (resid 23 and name HG12) (resid 23 and name HN) 3.0 1.2 1.0 !#A 104 9.53e+04 assign (resid 23 and name HB) (resid 23 and name HN) 2.5 0.7 0.2 !#A 105 1.75e+05 assign (resid 23 and name HG2#) (resid 23 and name HN) 4.0 2.2 1.4 !#A 532 7.81e+04 assign (resid 23 and name HA) (resid 23 and name HN) 3.0 1.2 0.3 !#A 107 1.20e+05 assign (resid 23 and name HN) (resid 24 and name HN) 4.0 2.2 1.0 !#A 109 4.25e+04 assign (resid 23 and name HD1#) (resid 24 and name HN) 4.0 2.2 1.4 !#A 534 1.37e+05 assign (resid 23 and name HB) (resid 24 and name HN) 4.0 2.2 1.0 !#A 112 7.20e+04 assign (resid 23 and name HA) (resid 24 and name HN) 2.5 0.7 0.2 !#A 115 2.88e+05 assign (resid 23 and name HG2#) (resid 25 and name HN) 4.0 2.2 1.4 !#A 535 1.31e+05 !V24 assign (resid 24 and name HB) (resid 24 and name HN) 3.0 1.2 0.3 !#A 113 1.96e+05 assign (resid 24 and name HA) (resid 24 and name HN) 3.0 1.2 0.3 !#A 114 9.28e+04 assign (resid 24 and name HN) (resid 25 and name HN) 4.0 2.2 1.0 !#A 121 3.32e+04 assign (resid 24 and name HG2#) (resid 25 and name HN) 4.0 2.2 1.4 !#A 117 3.75e+04 assign (resid 24 and name HG1#) (resid 25 and name HN) 4.0 2.2 1.4 !#A 437 1.31e+05 assign (resid 24 and name HA) (resid 25 and name HN) 2.5 0.7 0.2 !#A 120 5.26e+05 assign (resid 24 and name HG1#) (resid 31 and name HN) 4.0 2.2 1.4 !#A 447 7.76e+04 assign (resid 24 and name HB) (resid 31 and name HN) 3.0 1.2 0.3 !#A 446 8.07e+04 assign (resid 24 and name HN) (resid 31 and name HB2) 4.0 2.2 1.0 !#A 424 4.19e+04 assign (resid 24 and name HN) (resid 31 and name HN) 3.0 1.2 0.3 !#A 425 8.59e+04 !N25 assign (resid 25 and name HB2) (resid 25 and name HN) 3.0 1.2 0.3 !#A 118 9.21e+04 assign (resid 25 and name HN) (resid 26 and name HB1) 4.0 2.2 1.0 !#A 436 4.57e+04 assign (resid 25 and name HN) (resid 26 and name HN) 4.0 2.2 1.0 !#A 438 3.49e+04 assign (resid 25 and name HA) (resid 26 and name HN) 2.5 0.7 0.2 !#A 126 4.90e+05 assign (resid 25 and name HD22) (resid 28 and name HN) 4.0 2.2 1.0 !#A 133 3.79e+04 assign (resid 25 and name HA) (resid 31 and name HN) 3.0 1.2 0.3 !#A 547 3.41e+05 !S26 assign (resid 26 and name HB2) (resid 26 and name HN) 4.0 2.2 1.0 !#A 124 1.14e+05 assign (resid 26 and name HB1) (resid 26 and name HN) 3.0 1.2 0.3 !#A 123 7.06e+04 assign (resid 26 and name HA) (resid 27 and name HN) 3.0 1.2 0.3 !#A 128 9.78e+04 assign (resid 26 and name HA) (resid 28 and name HN) 4.0 2.2 1.0 !#A 442 3.70e+04 assign (resid 26 and name HN) (resid 28 and name HN) 4.0 2.2 1.0 !#A 135 4.80e+04 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169 1.89e+05 assign (resid 33 and name HA) (resid 34 and name HN) 4.0 2.2 1.0 !#A 176 4.09e+04 assign (resid 33 and name HB#) (resid 34 and name HN) 4.0 2.2 1.7 !#A 554 2.31e+05 assign (resid 33 and name HG1) (resid 34 and name HN) 3.0 1.2 1.0 !#A 555 2.31e+05 assign (resid 33 and name HN) (resid 34 and name HN) 3.0 1.2 0.3 !#A 173 1.07e+05 assign (resid 33 and name HA) (resid 35 and name HN) 4.0 2.2 1.0 !#A 185 4.20e+04 assign (resid 33 and name HN) (resid 35 and name HN) 4.0 2.2 1.0 !#A 553 3.68e+04 assign (resid 33 and name HA) (resid 36 and name HN) 4.0 2.2 1.0 !#A 559 5.06e+04 !Q34 assign (resid 34 and name HB1) (resid 34 and name HN) 3.0 1.2 1.0 !#A 178 2.31e+05 assign (resid 34 and name HA) (resid 34 and name HN) 3.0 1.2 0.3 !#A 174 1.59e+05 assign (resid 34 and name HN) (resid 35 and name HN) 3.0 1.2 0.3 !#A 189 1.20e+05 assign (resid 34 and name HG#) (resid 35 and name HN) 4.0 2.2 1.7 !#A 181 6.50e+04 assign (resid 34 and name HA) (resid 35 and name HN) 2.5 0.7 0.2 !#A 186 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1.0 !#A 295 4.42e+04 assign (resid 51 and name HB2) (resid 51 and name HN) 3.0 1.2 0.3 !#A 297 7.60e+04 assign (resid 51 and name HB1) (resid 52 and name HN) 4.0 2.2 1.0 !#A 298 8.45e+04 assign (resid 51 and name HA) (resid 52 and name HN) 2.5 0.7 0.2 !#A 303 3.79e+05 assign (resid 51 and name HN) (resid 58 and name HN) 4.0 2.2 1.0 !#A 591 8.82e+04 !E52 assign (resid 52 and name HB1) (resid 52 and name HN) 3.0 1.2 1.0 !#A 299 1.47e+05 assign (resid 52 and name HB2) (resid 52 and name HN) 3.0 1.2 1.0 !#A 592 1.35e+05 assign (resid 52 and name HG1) (resid 52 and name HN) 3.0 1.2 1.0 !#A 593 1.35e+05 assign (resid 52 and name HG2) (resid 52 and name HN) 3.0 1.2 1.0 !#A 301 6.33e+04 assign (resid 52 and name HA) (resid 52 and name HN) 4.0 2.2 1.0 !#A 305 5.53e+04 assign (resid 52 and name HG2) (resid 53 and name HN) 4.0 2.2 1.7 !#A 306 3.56e+04 assign (resid 52 and name HB2) (resid 53 and name HN) 4.0 2.2 1.7 !#A 307 5.85e+04 assign (resid 52 and name HB1) (resid 53 and name HN) 4.0 2.2 1.7 !#A 308 3.98e+04 assign (resid 52 and name HA) (resid 53 and name HN) 2.5 0.7 0.2 !#A 311 3.43e+05 assign (resid 52 and name HN) (resid 58 and name HN) 4.0 2.2 1.0 !#A 220 4.10e+04 assign (resid 52 and name HA) (resid 58 and name HN) 4.0 2.2 1.0 !#A 226 4.02e+04 !F53 assign (resid 53 and name HB1) (resid 53 and name HN) 4.0 2.2 1.7 !#A 309 4.32e+04 assign (resid 53 and name HA) (resid 54 and name HN) 2.5 0.7 0.2 !#A 598 5.16e+05 assign (resid 53 and name HN) (resid 56 and name HN) 4.0 2.2 1.0 !#A 313 1.08e+05 assign (resid 53 and name HN) (resid 57 and name HA) 3.0 1.2 0.3 !#A 596 9.32e+04 assign (resid 53 and name HN) (resid 58 and name HD1) 4.0 2.2 1.0 !#A 475 4.69e+04 !E54 assign (resid 54 and name HB1) (resid 54 and name HN) 3.0 1.2 1.0 !#A 476 6.57e+04 assign (resid 54 and name HG1) (resid 54 and name HN) 4.0 2.2 1.7 !#A 315 7.12e+04 assign (resid 54 and name HB2) (resid 54 and name HN) 4.0 2.2 1.7 !#A 479 4.22e+04 assign (resid 54 and name HA) (resid 54 and name HN) 3.0 1.2 0.3 !#A 314 2.36e+05 assign (resid 54 and name HB1) (resid 55 and name HN) 4.0 2.2 1.7 !#A 601 4.29e+04 assign (resid 54 and name HG2) (resid 55 and name HN) 4.0 2.2 1.7 !#A 600 4.29e+04 assign (resid 54 and name HN) (resid 55 and name HN) 4.0 2.2 1.0 !#A 316 8.20e+04 assign (resid 54 and name HN) (resid 55 and name HA1) 4.0 2.2 1.7 !#A 478 3.73e+04 assign (resid 54 and name HA) (resid 55 and name HN) 3.0 1.2 0.3 !#A 319 2.91e+05 assign (resid 54 and name HA) (resid 56 and name HN) 4.0 2.2 1.0 !#A 328 4.94e+04 assign (resid 54 and name HB1) (resid 56 and name HN) 4.0 2.2 1.7 !#A 603 3.58e+04 assign (resid 54 and name HN) (resid 56 and name HN) 4.0 2.2 1.0 !#A 599 3.40e+04 !G55 assign (resid 55 and name HA1) (resid 55 and name HN) 2.5 0.7 0.9 !#A 318 3.49e+05 assign (resid 55 and name HA2) (resid 55 and name HN) 2.5 0.7 0.9 !#A 317 1.83e+05 assign (resid 55 and name HN) (resid 56 and name HN) 2.5 0.7 0.2 !#A 322 1.66e+05 assign (resid 55 and name HA1) (resid 56 and name HN) 3.0 1.2 1.0 !#A 329 6.74e+04 assign (resid 55 and name HA2) (resid 56 and name HN) 4.0 2.2 1.7 !#A 330 4.32e+04 !R56 assign (resid 56 and name HB2) (resid 56 and name HN) 3.0 1.2 1.0 !#A 480 1.10e+05 assign (resid 56 and name HG2) (resid 56 and name HN) 4.0 2.2 1.7 !#A 326 4.05e+04 assign (resid 56 and name HA) (resid 56 and name HN) 4.0 2.2 1.0 !#A 482 5.87e+04 assign (resid 56 and name HG1) (resid 56 and name HN) 4.0 2.2 1.7 !#A 602 3.58e+04 assign (resid 56 and name HA) (resid 57 and name HN) 2.5 0.7 0.2 !#A 337 2.59e+05 assign (resid 56 and name HB1) (resid 57 and name HN) 3.0 1.2 1.0 !#A 605 1.47e+05 assign (resid 56 and name HG2) (resid 57 and name HN) 4.0 2.2 1.7 !#A 604 3.30e+04 !K57 assign (resid 57 and name HD2) (resid 57 and name HN) 4.0 2.2 1.0 !#A 607 5.69e+04 assign (resid 57 and name HB1) (resid 57 and name HN) 4.0 2.2 1.0 !#A 483 5.69e+04 assign (resid 57 and name HG1) (resid 57 and name HN) 4.0 2.2 1.7 !#A 336 3.52e+04 assign (resid 57 and name HA) (resid 57 and name HN) 3.0 1.2 0.3 !#A 484 6.79e+04 assign (resid 57 and name HB2) (resid 57 and name HN) 4.0 2.2 1.0 !#A 334 1.35e+05 assign (resid 57 and name HG2) (resid 57 and name HN) 3.0 1.2 1.0 !#A 606 1.47e+05 assign (resid 57 and name HA) (resid 58 and name HN) 2.5 0.7 0.2 !#A 610 2.92e+05 assign (resid 57 and name HB1) (resid 58 and name HN) 4.0 2.2 1.0 !#A 572 4.92e+04 !Y58 assign (resid 58 and name HB1) (resid 58 and name HN) 4.0 2.2 1.0 !#A 214 9.29e+04 assign (resid 58 and name HD1) (resid 58 and name HN) 3.0 1.2 0.3 !#A 460 1.21e+05 assign (resid 58 and name HN) (resid 59 and name HN) 4.0 2.2 1.0 !#A 611 3.18e+04 assign (resid 58 and name HB2) (resid 59 and name HN) 4.0 2.2 1.0 !#A 342 6.63e+04 assign (resid 58 and name HB1) (resid 59 and name HN) 4.0 2.2 1.0 !#A 338 5.68e+04 assign (resid 58 and name HD2) (resid 59 and name HN) 4.0 2.2 1.0 !#A 346 4.24e+04 assign (resid 58 and name HA) (resid 59 and name HN) 2.5 0.7 0.2 !#A 345 2.14e+05 assign (resid 58 and name HB2) (resid 63 and name HN) 4.0 2.2 1.0 !#A 369 5.47e+04 !C59 assign (resid 59 and name HB1) (resid 59 and name HN) 4.0 2.2 1.0 !#A 343 3.81e+04 assign (resid 59 and name HN) (resid 60 and name HN) 4.0 2.2 1.0 !#A 347 5.52e+04 assign (resid 59 and name HB1) (resid 60 and name HN) 4.0 2.2 1.0 !#A 349 1.01e+05 assign (resid 59 and name HB1) (resid 61 and name HN) 4.0 2.2 1.0 !#A 354 5.22e+04 assign (resid 59 and name HB2) (resid 61 and name HN) 2.5 0.7 0.2 !#A 618 2.24e+05 assign (resid 59 and name HN) (resid 61 and name HB1) 4.0 2.2 1.7 !#A 612 6.14e+04 assign (resid 59 and name HN) (resid 62 and name HB2) 4.0 2.2 1.0 !#A 486 4.96e+04 assign (resid 59 and name HN) (resid 63 and name HN) 4.0 2.2 1.0 !#A 627 3.16e+04 !E60 assign (resid 60 and name HB1) (resid 60 and name HN) 4.0 2.2 1.7 !#A 491 5.92e+04 assign (resid 60 and name HG1) (resid 60 and name HN) 4.0 2.2 1.7 !#A 614 5.92e+04 assign (resid 60 and name HB2) (resid 60 and name HN) 2.5 0.7 0.9 !#A 615 1.58e+05 assign (resid 60 and name HB1) (resid 61 and name HN) 3.0 1.2 1.0 !#A 622 6.98e+04 assign (resid 60 and name HB2) (resid 61 and name HN) 4.0 2.2 1.7 !#A 620 5.77e+04 assign (resid 60 and name HG2) (resid 61 and name HN) 4.0 2.2 1.7 !#A 621 5.77e+04 assign (resid 60 and name HA) (resid 61 and name HN) 4.0 2.2 1.0 !#A 355 3.85e+04 assign (resid 60 and name HN) (resid 61 and name HN) 3.0 1.2 0.3 !#A 360 8.21e+04 assign (resid 60 and name HG1) (resid 64 and name HN) 3.0 1.2 1.0 !#A 628 1.88e+05 !H61 assign (resid 61 and name HB2) (resid 61 and name HN) 2.5 0.7 0.9 !#A 619 2.24e+05 assign (resid 61 and name HB1) (resid 61 and name HN) 2.5 0.7 0.9 !#A 356 1.88e+05 assign (resid 61 and name HA) (resid 61 and name HN) 3.0 1.2 0.3 !#A 353 1.66e+05 assign (resid 61 and name HB1) (resid 62 and name HN) 2.5 0.7 0.9 !#A 623 2.00e+05 assign (resid 61 and name HA) (resid 62 and name HN) 4.0 2.2 1.0 !#A 493 3.11e+04 assign (resid 61 and name HB2) (resid 62 and name HN) 3.0 1.2 1.0 !#A 494 7.51e+04 !D62 assign (resid 62 and name HB1) (resid 62 and name HN) 4.0 2.2 1.0 !#A 361 6.96e+04 assign (resid 62 and name HB2) (resid 62 and name HN) 2.5 0.7 0.2 !#A 624 2.00e+05 assign (resid 62 and name HA) (resid 62 and name HN) 3.0 1.2 0.3 !#A 362 8.43e+04 assign (resid 62 and name HN) (resid 63 and name HN) 3.0 1.2 0.3 !#A 374 1.63e+05 assign (resid 62 and name HB1) (resid 63 and name HN) 4.0 2.2 1.0 !#A 626 4.54e+04 assign (resid 62 and name HB2) (resid 63 and name HN) 4.0 2.2 1.0 !#A 368 5.07e+04 assign (resid 62 and name HA) (resid 63 and name HN) 4.0 2.2 1.0 !#A 372 1.07e+05 !F63 assign (resid 63 and name HB2) (resid 63 and name HN) 3.0 1.2 0.3 !#A 367 1.20e+05 assign (resid 63 and name HB1) (resid 63 and name HN) 3.0 1.2 0.3 !#A 365 1.24e+05 assign (resid 63 and name HA) (resid 63 and name HN) 3.0 1.2 0.3 !#A 370 8.82e+04 assign (resid 63 and name HA) (resid 64 and name HN) 4.0 2.2 1.0 !#A 381 3.77e+04 assign (resid 63 and name HD1) (resid 64 and name HN) 4.0 2.2 1.0 !#A 629 3.58e+04 assign (resid 63 and name HB1) (resid 64 and name HN) 3.0 1.2 0.3 !#A 378 9.29e+04 assign (resid 63 and name HN) (resid 64 and name HG1) 4.0 2.2 1.7 !#A 495 4.54e+04 assign (resid 63 and name HN) (resid 64 and name HN) 3.0 1.2 0.3 !#A 383 1.36e+05 !Q64 assign (resid 64 and name HG1) (resid 64 and name HN) 4.0 2.2 1.7 !#A 496 6.84e+04 assign (resid 64 and name HB2) (resid 64 and name HN) 3.0 1.2 1.0 !#A 376 1.88e+05 assign (resid 64 and name HG2) (resid 64 and name HN) 4.0 2.2 1.7 !#A 377 6.03e+04 assign (resid 64 and name HB1) (resid 64 and name HN) 3.0 1.2 1.0 !#A 375 1.08e+05 assign (resid 64 and name HA) (resid 64 and name HN) 3.0 1.2 0.3 !#A 380 1.23e+05 assign (resid 64 and name HN) (resid 65 and name HN) 3.0 1.2 0.3 !#A 382 1.52e+05 assign (resid 64 and name HB2) (resid 65 and name HN) 4.0 2.2 1.7 !#A 389 8.26e+04 assign (resid 64 and name HA) (resid 65 and name HN) 4.0 2.2 1.0 !#A 497 5.44e+04 assign (resid 64 and name HB2) (resid 66 and name HN) 4.0 2.2 1.7 !#A 396 3.88e+04 assign (resid 64 and name HA) (resid 67 and name HN) 4.0 2.2 1.0 !#A 637 3.93e+04 !M65 assign (resid 65 and name HG2) (resid 65 and name HN) 4.0 2.2 1.7 !#A 387 4.95e+04 assign (resid 65 and name HB#) (resid 65 and name HN) 2.5 0.7 0.9 !#A 630 2.44e+05 assign (resid 65 and name HG1) (resid 65 and name HN) 4.0 2.2 1.7 !#A 388 7.16e+04 assign (resid 65 and name HA) (resid 65 and name HN) 3.0 1.2 0.3 !#A 384 1.44e+05 assign (resid 65 and name HB#) (resid 67 and name HN) 4.0 2.2 1.7 !#A 636 5.88e+04 assign (resid 65 and name HN) (resid 67 and name HA) 4.0 2.2 1.0 !#A 385 5.99e+04 !L66 assign (resid 66 and name HB2) (resid 66 and name HN) 3.0 1.2 0.3 !#A 393 1.04e+05 assign (resid 66 and name HD1#) (resid 66 and name HN) 4.0 2.2 2.5 !#A 632 3.52e+04 assign (resid 66 and name HG) (resid 66 and name HN) 4.0 2.2 1.0 !#A 498 1.55e+05 assign (resid 66 and name HD2#) (resid 66 and name HN) 4.0 2.2 2.5 !#A 392 3.74e+04 assign (resid 66 and name HA) (resid 66 and name HN) 3.0 1.2 0.3 !#A 397 9.28e+04 assign (resid 66 and name HB2) (resid 67 and name HN) 3.0 1.2 0.3 !#A 399 6.66e+04 assign (resid 66 and name HB1) (resid 67 and name HN) 4.0 2.2 1.0 !#A 398 3.71e+04 assign (resid 66 and name HN) (resid 67 and name HN) 3.0 1.2 0.3 !#A 403 1.25e+05 assign (resid 66 and name HA) (resid 67 and name HN) 4.0 2.2 1.0 !#A 401 5.09e+04 !F67 assign (resid 67 and name HB1) (resid 67 and name HN) 4.0 2.2 1.0 !#A 400 5.40e+04 assign (resid 67 and name HB2) (resid 67 and name HN) 3.0 1.2 0.3 !#A 635 7.20e+04 assign (resid 67 and name HA) (resid 68 and name HN) 3.0 1.2 0.3 !#A 641 8.48e+04 assign (resid 67 and name HB2) (resid 68 and name HN) 4.0 2.2 1.0 !#A 639 3.46e+04 assign (resid 67 and name HN) (resid 68 and name HN) 3.0 1.2 0.3 !#A 638 1.25e+05 !A68 assign (resid 68 and name HB#) (resid 68 and name HN) 3.0 1.2 0.7 !#A 404 1.25e+05 assign (resid 68 and name HA) (resid 68 and name HN) 3.0 1.2 0.3 !#A 642 8.48e+04 assign (resid 68 and name HN) (resid 69 and name HD2) 4.0 2.2 1.7 !#A 640 3.13e+04 !P69 assign (resid 69 and name HB1) (resid 70 and name HN) 4.0 2.2 1.7 !#A 407 3.63e+04 assign (resid 69 and name HA) (resid 70 and name HN) 3.0 1.2 0.3 !#A 405 1.26e+05 !C70 assign (resid 70 and name HA) (resid 70 and name HN) 3.0 1.2 0.3 !#A 406 6.70e+04 ! EDITING HIST.: mannually edited: added back the ones that were removed ! in run11; removed the ones that were violated >0.45 A iN RUN 10. Mar29. ! EDITING HIST.: mannually edited some violated noes from run9 on Mar27 ! Editing history: relaxed S and M NOEs on Fri Mar 24 14:28:16 EST 2000 ! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 16:48:22 EST 2000 ! Editing history: added pseudoatom corrections for nonstereoassigned methylenes (0.7 A) ! on Wed Mar 22 15:51:48 EST 2000 ! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 14:26:53 EST 2000 ! Editing history: relaxed non-HA,HN S and M NOEs on Tue Mar 21 16:07:50 EST 2000 ! Editing history: added pseudoatom corrections for Me and i-Pr groups (0.4 & 1.5 A) ! on Thu Mar 16 14:55:45 EST 2000 !EDIT_HISTORY ! A(51) aro.PCK.uniq Thu Mar 16 11:32:55 2000 !M1 !A2 !N3 !A4 !L5 !A6 !S7 !A8 !T9 assign (resid 9 and name HA) (resid 17 and name HD2) 3.0 1.2 0.3 !#A 108 5.38e+04 !C10 assign (resid 10 and name HA) (resid 17 and name HD1) 4.0 2.2 1.0 !#A 58 5.38e+04 !E11 assign (resid 11 and name HB1) (resid 17 and name HE1) 4.0 2.2 1.7 !#A 68 3.10e+04 !R12 !C13 !K14 !G15 !G16 !F17 assign (resid 17 and name HB2) (resid 17 and name HD1) 3.0 1.2 0.3 !#A 62 5.28e+04 assign (resid 17 and name HD2) (resid 18 and name HB#) 4.0 2.2 1.4 !#A 106 4.35e+04 assign (resid 17 and name HE1) (resid 23 and name HD1#) 4.0 2.2 1.4 !#A 67 3.99e+04 assign (resid 17 and name HD1) (resid 23 and name HA) 4.0 2.2 1.0 !#A 63 2.82e+04 assign (resid 17 and name HD1) (resid 24 and name HG2#) 4.0 2.2 1.4 !#A 105 4.57e+04 assign (resid 17 and name HZ) (resid 30 and name HB1) 2.5 0.7 0.2 !#A 15 5.06e+04 assign (resid 17 and name HZ) (resid 30 and name HD2#) 3.0 1.2 1.8 !#A 14 3.00e+04 assign (resid 17 and name HD1) (resid 30 and name HB1) 4.0 2.2 1.0 !#A 3 4.70e+04 assign (resid 17 and name HD1) (resid 32 and name HD2) 4.0 2.2 1.0 !#A 27 6.53e+04 !A18 !P19 !A20 !E21 !K22 !I23 !V24 assign (resid 24 and name HG2#) (resid 31 and name HD1) 4.0 2.2 1.4 !#A 112 3.31e+04 assign (resid 24 and name HG2#) (resid 36 and name HE1) 3.0 1.2 0.7 !#A 79 3.88e+04 !N25 assign (resid 25 and name HB2) (resid 31 and name HD1) 4.0 2.2 1.0 !#A 73 2.42e+04 assign (resid 25 and name HB2) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 17 5.20e+04 !S26 assign (resid 26 and name HA) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 115 2.11e+04 !N27 !G28 !E29 !L30 !Y31 assign (resid 31 and name HE2) (resid 57 and name HE1) 4.0 2.2 1.7 !#A 114 2.67e+04 assign (resid 31 and name HE2) (resid 57 and name HB1) 4.0 2.2 1.0 !#A 113 2.53e+04 assign (resid 31 and name HD2) (resid 57 and name HB1) 4.0 2.2 1.0 !#A 111 3.18e+04 assign (resid 31 and name HE2) (resid 57 and name HG2) 4.0 2.2 1.7 !#A 23 4.08e+04 assign (resid 31 and name HE2) (resid 57 and name HD2) 3.0 1.2 0.3 !#A 22 7.15e+04 assign (resid 31 and name HE2) (resid 57 and name HG1) 4.0 2.2 1.7 !#A 21 2.65e+04 !H32 assign (resid 32 and name HB#) (resid 32 and name HD2) 4.0 2.2 1.7 !#A 103 2.45e+04 assign (resid 32 and name HA) (resid 32 and name HD2) 3.0 1.2 0.3 !#A 26 3.51e+04 !E33 !Q34 !C35 !F36 assign (resid 36 and name HA) (resid 36 and name HE1) 4.0 2.2 1.0 !#A 32 3.73e+04 assign (resid 36 and name HE2) (resid 49 and name HA) 4.0 2.2 1.0 !#A 119 3.16e+04 assign (resid 36 and name HB2) (resid 50 and name HE2) 4.0 2.2 1.0 !#A 122 5.43e+04 !V37 !C38 assign (resid 38 and name HA) (resid 50 and name HE2) 4.0 2.2 1.0 !#A 91 6.26e+04 !A39 !Q40 assign (resid 40 and name HB#) (resid 58 and name HD2) 4.0 2.2 1.7 !#A 98 4.52e+04 assign (resid 40 and name HG1) (resid 58 and name HD2) 3.0 1.2 1.0 !#A 50 6.34e+04 !C41 !F42 !Q43 assign (resid 43 and name HG1) (resid 45 and name HD1) 4.0 2.2 1.7 !#A 121 2.94e+04 !Q44 !F45 assign (resid 45 and name HD2) (resid 46 and name HD2) 4.0 2.2 1.7 !#A 83 2.78e+04 assign (resid 45 and name HD1) (resid 50 and name HB1) 4.0 2.2 1.7 !#A 86 4.35e+04 !P46 !E47 !G48 !L49 assign (resid 49 and name HD2#) (resid 51 and name HD2) 4.0 2.2 2.5 !#A 96 6.34e+04 !F50 assign (resid 50 and name HB1) (resid 50 and name HE2) 4.0 2.2 1.7 !#A 123 2.90e+04 assign (resid 50 and name HB1) (resid 50 and name HD1) 3.0 1.2 1.0 !#A 36 3.79e+04 assign (resid 50 and name HD1) (resid 51 and name HA) 4.0 2.2 1.0 !#A 87 2.03e+04 assign (resid 50 and name HE2) (resid 57 and name HG1) 4.0 2.2 1.7 !#A 93 2.88e+04 assign (resid 50 and name HE2) (resid 58 and name HA) 4.0 2.2 1.0 !#A 88 2.56e+04 assign (resid 50 and name HE2) (resid 59 and name HB2) 4.0 2.2 1.0 !#A 89 3.51e+04 !Y51 assign (resid 51 and name HD1) (resid 58 and name HD1) 4.0 2.2 1.0 !#A 45 7.38e+04 assign (resid 51 and name HD1) (resid 63 and name HE2) 3.0 1.2 0.3 !#A 38 3.41e+04 !E52 !F53 assign (resid 53 and name HB2) (resid 58 and name HD1) 4.0 2.2 1.7 !#A 127 2.51e+04 assign (resid 53 and name HB1) (resid 58 and name HD1) 4.0 2.2 1.7 !#A 126 2.66e+04 !E54 !G55 !R56 assign (resid 56 and name HD1) (resid 58 and name HE1) 4.0 2.2 1.7 !#A 131 2.35e+04 !K57 !Y58 !C59 !E60 !H61 !D62 !F63 assign (resid 63 and name HB2) (resid 63 and name HE2) 4.0 2.2 1.0 !#A 102 2.76e+04 assign (resid 63 and name HA) (resid 63 and name HD1) 4.0 2.2 1.0 !#A 52 3.71e+04 !Q64 !M65 !L66 !F67 !A68 !P69 !C70 ! EDITING HIST.: mannually edited: added back the ones that were removed ! in run11; removed the ones that were violated >0.45 A iN RUN 10. Mar29. ! EDITING HIST.: mannually edited some violated noes from run9 on Mar27 ! Editing history: relaxed S and M NOEs on Fri Mar 24 14:29:13 EST 2000 ! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 16:49:24 EST 2000 ! Editing history: added pseudoatom corrections for nonstereoassigned methylenes (0.7 A) ! on Wed Mar 22 15:52:33 EST 2000 ! Editing history: relaxed non-HA,HN S and M NOEs on Wed Mar 22 14:27:45 EST 2000 ! Editing history: relaxed non-HA,HN S and M NOEs on Tue Mar 21 16:07:56 EST 2000 ! Editing history: added pseudoatom corrections for Me and i-Pr groups (0.4 & 1.5 A) ! on Thu Mar 16 14:58:57 EST 2000 !EDIT_HISTORY ! A(337) pseudo_back.PCK.uniq Thu Mar 16 11:47:13 2000 !M1 !A2 !N3 !A4 !L5 !A6 !S7 assign (resid 7 and name HB2) (resid 18 and name HB#) 4.0 2.2 2.1 !#A 872 1.61e+05 !A8 assign (resid 8 and name HB#) (resid 9 and name HG2#) 4.0 2.2 1.8 !#A 854 7.89e+04 assign (resid 8 and name HB#) (resid 17 and name HE2) 3.0 1.2 0.7 !#A 742 6.68e+04 assign (resid 8 and name HB#) (resid 17 and name HD2) 4.0 2.2 1.4 !#A 741 6.63e+04 assign (resid 8 and name HB#) (resid 23 and name HG2#) 4.0 2.2 1.8 !#A 738 7.19e+04 assign (resid 8 and name HB#) (resid 30 and name HB1) 4.0 2.2 1.4 !#A 897 -4.38e+04 assign (resid 8 and name HB#) (resid 30 and name HD2#) 4.0 2.2 2.9 !#A 736 1.55e+05 !T9 assign (resid 9 and name HG2#) (resid 10 and name HN) 4.0 2.2 1.4 !#A 730 7.38e+04 assign (resid 9 and name HG2#) (resid 14 and name HG2) 4.0 2.2 2.1 !#A 856 5.08e+04 assign (resid 9 and name HG2#) (resid 14 and name HG1) 4.0 2.2 2.1 !#A 855 5.32e+04 assign (resid 9 and name HN) (resid 17 and name HD2) 4.0 2.2 1.0 !#A 749 -4.53e+04 !C10 assign (resid 10 and name HB1) (resid 13 and name HB1) 4.0 2.2 1.0 !#A 857 -5.05e+04 assign (resid 10 and name HB2) (resid 13 and name HB1) 4.0 2.2 1.0 !#A 12 -8.97e+04 assign (resid 10 and name HB2) (resid 13 and name HN) 4.0 2.2 1.0 !#A 17 -7.84e+04 assign (resid 10 and name HB1) (resid 17 and name HE1) 4.0 2.2 1.0 !#A 870 4.11e+04 assign (resid 10 and name HB1) (resid 17 and name HD1) 4.0 2.2 1.0 !#A 743 -5.95e+04 assign (resid 10 and name HB2) (resid 17 and name HD1) 4.0 2.2 1.0 !#A 860 -5.26e+04 assign (resid 10 and name HB2) (resid 23 and name HD1#) 4.0 2.2 1.4 !#A 859 -4.55e+04 !E11 assign (resid 11 and name HB1) (resid 11 and name HG1) 3.0 1.2 1.7 !#A 27 -6.79e+04 assign (resid 11 and name HB2) (resid 11 and name HG1) 3.0 1.2 1.7 !#A 29 -7.45e+04 assign (resid 11 and name HB2) (resid 11 and name HG2) 3.0 1.2 1.7 !#A 28 -6.86e+04 assign (resid 11 and name HB1) (resid 11 and name HG2) 4.0 2.2 2.4 !#A 26 -5.28e+04 assign (resid 11 and name HB2) (resid 12 and name HG#) 4.0 2.2 2.4 !#A 44 1.32e+05 assign (resid 11 and name HB1) (resid 12 and name HG#) 4.0 2.2 2.4 !#A 861 4.92e+04 !R12 assign (resid 12 and name HN) (resid 12 and name HB2) 4.0 2.2 1.7 !#A 35 -4.51e+04 assign (resid 12 and name HB1) (resid 12 and name HD#) 4.0 2.2 2.4 !#A 48 -9.36e+04 assign (resid 12 and name HB2) (resid 12 and name HD#) 3.0 1.2 1.7 !#A 49 -9.36e+04 assign (resid 12 and name HD#) (resid 13 and name HB1) 4.0 2.2 1.7 !#A 866 -3.55e+04 assign (resid 12 and name HB1) (resid 13 and name HN) 4.0 2.2 1.7 !#A 34 -4.63e+04 assign (resid 12 and name HG#) (resid 13 and name HN) 4.0 2.2 1.7 !#A 731 4.79e+04 assign (resid 12 and name HB1) (resid 31 and name HD2) 4.0 2.2 1.7 !#A 312 -4.96e+04 assign (resid 12 and name HD#) (resid 32 and name HB#) 4.0 2.2 2.4 !#A 710 -1.22e+05 assign (resid 12 and name HB2) (resid 35 and name HB1) 4.0 2.2 1.7 !#A 40 -3.89e+04 assign (resid 12 and name HB1) (resid 35 and name HB1) 4.0 2.2 1.7 !#A 39 -5.99e+04 assign (resid 12 and name HD#) (resid 35 and name HB2) 4.0 2.2 1.7 !#A 345 -3.73e+04 assign (resid 12 and name HB1) (resid 35 and name HB2) 4.0 2.2 1.7 !#A 802 -4.97e+04 assign (resid 12 and name HD#) (resid 35 and name HB1) 4.0 2.2 1.7 !#A 343 -1.05e+05 assign (resid 12 and name HD#) (resid 37 and name HG1#) 4.0 2.2 3.2 !#A 864 -4.86e+04 assign (resid 12 and name HD#) (resid 44 and name HB2) 4.0 2.2 1.7 !#A 865 -2.04e+05 assign (resid 12 and name HB2) (resid 44 and name HB1) 4.0 2.2 1.7 !#A 415 1.12e+05 !C13 assign (resid 13 and name HB2) (resid 35 and name HB1) 4.0 2.2 1.0 !#A 867 -1.09e+05 assign (resid 13 and name HB1) (resid 35 and name HB1) 4.0 2.2 1.0 !#A 746 -8.67e+04 !K14 assign (resid 14 and name HD2) (resid 14 and name HE2) 4.0 2.2 1.7 !#A 85 -5.07e+04 assign (resid 14 and name HG1) (resid 14 and name HE2) 4.0 2.2 2.4 !#A 86 -3.90e+04 assign (resid 14 and name HG2) (resid 14 and name HE2) 4.0 2.2 2.4 !#A 868 -3.97e+04 assign (resid 14 and name HG2) (resid 14 and name HE1) 4.0 2.2 2.4 !#A 83 -6.30e+04 assign (resid 14 and name HD1) (resid 14 and name HE1) 4.0 2.2 1.7 !#A 84 -4.19e+04 assign (resid 14 and name HE2) (resid 14 and name HD1) 4.0 2.2 1.7 !#A 80 4.13e+04 assign (resid 14 and name HE1) (resid 14 and name HD2) 3.0 1.2 1.0 !#A 82 6.62e+04 assign (resid 14 and name HG2) (resid 14 and name HD2) 3.0 1.2 1.0 !#A 73 1.07e+05 assign (resid 14 and name HG1) (resid 14 and name HD2) 4.0 2.2 1.7 !#A 74 5.93e+04 assign (resid 14 and name HG2) (resid 14 and name HD1) 2.5 0.7 0.9 !#A 76 1.48e+05 assign (resid 14 and name HD1) (resid 14 and name HG1) 4.0 2.2 1.7 !#A 70 4.42e+04 assign (resid 14 and name HB1) (resid 14 and name HD1) 4.0 2.2 1.0 !#A 81 3.76e+04 assign (resid 14 and name HG1) (resid 14 and name HB2) 4.0 2.2 1.7 !#A 62 5.57e+04 assign (resid 14 and name HG2) (resid 14 and name HB2) 3.0 1.2 1.0 !#A 63 7.52e+04 !G15 !G16 !F17 assign (resid 17 and name HD2) (resid 17 and name HB2) 4.0 2.2 1.0 !#A 92 -9.59e+04 assign (resid 17 and name HN) (resid 17 and name HE2) 4.0 2.2 1.0 !#A 871 3.85e+04 assign (resid 17 and name HD1) (resid 17 and name HB1) 3.0 1.2 0.3 !#A 91 -1.04e+05 assign (resid 17 and name HB1) (resid 23 and name HD1#) 4.0 2.2 1.4 !#A 720 -5.90e+04 assign (resid 17 and name HB2) (resid 23 and name HD1#) 4.0 2.2 1.4 !#A 719 -3.76e+04 assign (resid 17 and name HD1) (resid 23 and name HD1#) 4.0 2.2 1.4 !#A 748 -3.80e+04 assign (resid 17 and name HE2) (resid 30 and name HD2#) 4.0 2.2 2.5 !#A 899 4.18e+04 !A18 assign (resid 18 and name HB#) (resid 19 and name HB1) 4.0 2.2 2.1 !#A 98 1.09e+05 assign (resid 18 and name HB#) (resid 19 and name HG1) 4.0 2.2 2.1 !#A 97 4.92e+04 assign (resid 18 and name HB#) (resid 19 and name HD2) 4.0 2.2 2.1 !#A 99 1.61e+05 assign (resid 18 and name HB#) (resid 19 and name HD1) 2.5 0.7 1.3 !#A 100 2.55e+05 !P19 assign (resid 19 and name HG1) (resid 19 and name HB1) 2.5 0.7 1.6 !#A 112 -2.30e+05 assign (resid 19 and name HG1) (resid 19 and name HB2) 3.0 1.2 1.7 !#A 113 -3.20e+05 assign (resid 19 and name HD1) (resid 19 and name HA) 4.0 2.2 1.7 !#A 108 3.65e+04 assign (resid 19 and name HB1) (resid 19 and name HA) 2.5 0.7 0.9 !#A 107 2.64e+05 assign (resid 19 and name HG1) (resid 19 and name HA) 4.0 2.2 1.7 !#A 105 9.09e+04 assign (resid 19 and name HA) (resid 19 and name HB2) 3.0 1.2 1.0 !#A 116 -1.48e+05 assign (resid 19 and name HB1) (resid 19 and name HD1) 4.0 2.2 2.4 !#A 876 -2.79e+04 assign (resid 19 and name HB2) (resid 19 and name HD2) 3.0 1.2 1.7 !#A 877 -6.46e+04 assign (resid 19 and name HB2) (resid 19 and name HD1) 4.0 2.2 2.4 !#A 133 -5.94e+04 assign (resid 19 and name HB1) (resid 19 and name HD2) 4.0 2.2 2.4 !#A 130 -4.53e+04 assign (resid 19 and name HG1) (resid 19 and name HD2) 3.0 1.2 1.7 !#A 136 -8.74e+04 assign (resid 19 and name HG2) (resid 19 and name HD1) 2.5 0.7 1.6 !#A 135 -1.16e+05 assign (resid 19 and name HA) (resid 19 and name HG2) 4.0 2.2 1.7 !#A 448 6.35e+04 assign (resid 19 and name HD2) (resid 19 and name HG2) 3.0 1.2 1.7 !#A 126 9.86e+04 assign (resid 19 and name HB2) (resid 19 and name HG2) 2.5 0.7 1.6 !#A 123 2.32e+05 assign (resid 19 and name HB2) (resid 20 and name HN) 4.0 2.2 1.7 !#A 753 -6.06e+04 assign (resid 19 and name HB2) (resid 22 and name HB#) 4.0 2.2 2.4 !#A 880 -1.13e+05 assign (resid 19 and name HG1) (resid 22 and name HB#) 4.0 2.2 2.4 !#A 875 5.40e+04 !A20 !E21 assign (resid 21 and name HB2) (resid 21 and name HG1) 4.0 2.2 2.4 !#A 156 -5.54e+04 assign (resid 21 and name HG1) (resid 21 and name HB1) 3.0 1.2 1.7 !#A 146 -1.16e+05 assign (resid 21 and name HG2) (resid 21 and name HB2) 3.0 1.2 1.7 !#A 152 -1.66e+05 assign (resid 21 and name HB1) (resid 22 and name HG2) 4.0 2.2 2.4 !#A 881 4.94e+04 assign (resid 21 and name HB2) (resid 33 and name HG2) 4.0 2.2 2.4 !#A 148 -8.35e+04 assign (resid 21 and name HG2) (resid 33 and name HG2) 4.0 2.2 2.4 !#A 907 -7.54e+04 !K22 assign (resid 22 and name HD#) (resid 22 and name HB#) 3.0 1.2 1.0 !#A 163 -1.85e+05 assign (resid 22 and name HB#) (resid 33 and name HG1) 4.0 2.2 2.4 !#A 879 -4.32e+04 assign (resid 22 and name HB#) (resid 33 and name HG2) 4.0 2.2 2.4 !#A 908 -4.85e+04 !I23 assign (resid 23 and name HG12) (resid 23 and name HG2#) 4.0 2.2 2.1 !#A 196 5.86e+04 assign (resid 23 and name HG11) (resid 23 and name HG2#) 3.0 1.2 1.4 !#A 193 7.88e+04 assign (resid 23 and name HG11) (resid 23 and name HB) 4.0 2.2 1.7 !#A 179 -4.43e+04 assign (resid 23 and name HG12) (resid 23 and name HB) 3.0 1.2 1.0 !#A 182 -1.04e+05 assign (resid 23 and name HG2#) (resid 24 and name HN) 3.0 1.2 0.7 !#A 202 8.34e+04 assign (resid 23 and name HG2#) (resid 24 and name HB) 4.0 2.2 1.4 !#A 199 7.04e+04 assign (resid 23 and name HG2#) (resid 24 and name HG2#) 4.0 2.2 1.8 !#A 195 6.18e+04 assign (resid 23 and name HG2#) (resid 25 and name HB2) 4.0 2.2 1.4 !#A 754 5.22e+04 assign (resid 23 and name HD1#) (resid 30 and name HB2) 4.0 2.2 1.4 !#A 886 4.05e+04 assign (resid 23 and name HD1#) (resid 30 and name HD2#) 4.0 2.2 2.9 !#A 757 6.61e+04 assign (resid 23 and name HD1#) (resid 30 and name HB1) 4.0 2.2 1.4 !#A 779 -7.35e+04 assign (resid 23 and name HG2#) (resid 30 and name HB1) 4.0 2.2 1.4 !#A 734 9.05e+04 assign (resid 23 and name HG2#) (resid 30 and name HD1#) 2.5 0.7 2.1 !#A 977 1.44e+05 assign (resid 23 and name HD1#) (resid 30 and name HD1#) 4.0 2.2 2.9 !#A 898 1.58e+05 assign (resid 23 and name HG2#) (resid 30 and name HD2#) 4.0 2.2 2.9 !#A 785 8.72e+04 assign (resid 23 and name HG12) (resid 30 and name HB1) 4.0 2.2 1.7 !#A 733 5.83e+04 assign (resid 23 and name HG2#) (resid 31 and name HN) 4.0 2.2 1.4 !#A 979 5.26e+04 !V24 assign (resid 24 and name HN) (resid 24 and name HG1#) 4.0 2.2 1.4 !#A 215 4.68e+04 assign (resid 24 and name HN) (resid 24 and name HG2#) 3.0 1.2 0.7 !#A 224 1.55e+05 assign (resid 24 and name HB) (resid 26 and name HB1) 4.0 2.2 1.0 !#A 895 4.70e+04 assign (resid 24 and name HG1#) (resid 26 and name HB1) 4.0 2.2 1.4 !#A 220 5.48e+04 assign (resid 24 and name HB) (resid 31 and name HB2) 3.0 1.2 0.3 !#A 210 -7.28e+04 assign (resid 24 and name HG1#) (resid 31 and name HB1) 4.0 2.2 1.4 !#A 219 3.61e+04 assign (resid 24 and name HG1#) (resid 31 and name HD1) 4.0 2.2 1.4 !#A 758 5.37e+04 assign (resid 24 and name HG2#) (resid 31 and name HB2) 4.0 2.2 1.4 !#A 761 5.75e+04 assign (resid 24 and name HG2#) (resid 31 and name HB1) 4.0 2.2 1.4 !#A 890 8.41e+04 assign (resid 24 and name HG2#) (resid 33 and name HG1) 4.0 2.2 2.1 !#A 759 9.71e+04 assign (resid 24 and name HG2#) (resid 33 and name HB#) 4.0 2.2 2.1 !#A 888 9.71e+04 assign (resid 24 and name HG2#) (resid 33 and name HG2) 4.0 2.2 2.1 !#A 889 6.36e+04 assign (resid 24 and name HG1#) (resid 36 and name HE1) 4.0 2.2 1.4 !#A 887 5.37e+04 assign (resid 24 and name HG2#) (resid 36 and name HD1) 4.0 2.2 1.4 !#A 762 4.35e+04 assign (resid 24 and name HG1#) (resid 36 and name HD1) 4.0 2.2 1.4 !#A 732 4.39e+04 !N25 assign (resid 25 and name HD21) (resid 25 and name HB1) 4.0 2.2 1.0 !#A 894 -3.65e+04 assign (resid 25 and name HD22) (resid 25 and name HB2) 4.0 2.2 1.0 !#A 763 -5.02e+04 assign (resid 25 and name HB1) (resid 30 and name HD1#) 4.0 2.2 2.5 !#A 892 -3.75e+04 assign (resid 25 and name HB2) (resid 30 and name HD1#) 3.0 1.2 1.8 !#A 723 9.13e+04 assign (resid 25 and name HD21) (resid 30 and name HD1#) 4.0 2.2 2.5 !#A 782 4.56e+04 assign (resid 25 and name HB2) (resid 31 and name HN) 4.0 2.2 1.0 !#A 893 -4.46e+04 !S26 assign (resid 26 and name HB1) (resid 31 and name HE1) 3.0 1.2 0.3 !#A 769 6.51e+04 assign (resid 26 and name HB2) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 770 6.48e+04 !N27 assign (resid 27 and name HD21) (resid 27 and name HB1) 4.0 2.2 1.7 !#A 772 -4.61e+04 assign (resid 27 and name HB1) (resid 53 and name HN) 4.0 2.2 1.7 !#A 244 -3.86e+04 assign (resid 27 and name HB1) (resid 53 and name HB2) 4.0 2.2 2.4 !#A 825 -6.43e+04 !G28 !E29 assign (resid 29 and name HG1) (resid 29 and name HB1) 3.0 1.2 1.0 !#A 248 -1.05e+05 assign (resid 29 and name HB1) (resid 29 and name HG2) 3.0 1.2 1.0 !#A 256 -6.91e+04 assign (resid 29 and name HB2) (resid 29 and name HG1) 2.5 0.7 0.9 !#A 260 -1.13e+05 assign (resid 29 and name HB2) (resid 29 and name HG2) 3.0 1.2 1.0 !#A 261 -2.41e+05 assign (resid 29 and name HN) (resid 29 and name HB1) 4.0 2.2 1.0 !#A 254 -4.22e+04 assign (resid 29 and name HB1) (resid 30 and name HB2) 4.0 2.2 1.0 !#A 896 -5.02e+04 assign (resid 29 and name HN) (resid 30 and name HD1#) 4.0 2.2 2.5 !#A 288 4.64e+04 assign (resid 29 and name HB2) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 789 7.59e+04 assign (resid 29 and name HB1) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 776 -5.01e+04 !L30 assign (resid 30 and name HG) (resid 30 and name HB2) 3.0 1.2 0.3 !#A 267 -8.58e+04 assign (resid 30 and name HG) (resid 30 and name HB1) 4.0 2.2 1.0 !#A 269 -5.50e+04 assign (resid 30 and name HD1#) (resid 30 and name HB1) 3.0 1.2 1.8 !#A 272 -8.49e+04 assign (resid 30 and name HB2) (resid 30 and name HD1#) 4.0 2.2 2.5 !#A 285 5.20e+04 assign (resid 30 and name HD2#) (resid 30 and name HB1) 2.5 0.7 1.7 !#A 270 -1.36e+05 assign (resid 30 and name HD2#) (resid 30 and name HB2) 3.0 1.2 1.8 !#A 265 -9.75e+04 assign (resid 30 and name HN) (resid 30 and name HG) 4.0 2.2 1.0 !#A 277 6.70e+04 assign (resid 30 and name HN) (resid 30 and name HD1#) 3.0 1.2 1.8 !#A 286 6.38e+04 assign (resid 30 and name HD1#) (resid 31 and name HN) 4.0 2.2 2.5 !#A 287 7.57e+04 !Y31 assign (resid 31 and name HB1) (resid 31 and name HE2) 4.0 2.2 1.0 !#A 790 5.49e+04 assign (resid 31 and name HB2) (resid 31 and name HE1) 4.0 2.2 1.0 !#A 906 4.18e+04 assign (resid 31 and name HB2) (resid 31 and name HD1) 3.0 1.2 0.3 !#A 795 -6.77e+04 assign (resid 31 and name HB1) (resid 31 and name HD2) 3.0 1.2 0.3 !#A 794 -7.27e+04 assign (resid 31 and name HD2) (resid 35 and name HB1) 4.0 2.2 1.0 !#A 914 -4.47e+04 assign (resid 31 and name HB2) (resid 35 and name HN) 4.0 2.2 1.0 !#A 901 -4.18e+04 assign (resid 31 and name HB1) (resid 36 and name HD1) 4.0 2.2 1.0 !#A 917 -5.36e+04 assign (resid 31 and name HB1) (resid 36 and name HB1) 4.0 2.2 1.0 !#A 302 -5.69e+04 assign (resid 31 and name HD2) (resid 37 and name HN) 4.0 2.2 1.0 !#A 308 -8.23e+04 assign (resid 31 and name HE2) (resid 37 and name HN) 4.0 2.2 1.0 !#A 792 1.05e+05 assign (resid 31 and name HE2) (resid 52 and name HG2) 4.0 2.2 1.7 !#A 905 6.32e+04 assign (resid 31 and name HE2) (resid 57 and name HB2) 4.0 2.2 1.0 !#A 786 5.21e+04 !H32 assign (resid 32 and name HB#) (resid 34 and name HG#) 4.0 2.2 2.4 !#A 911 -4.53e+04 assign (resid 32 and name HB#) (resid 35 and name HB2) 4.0 2.2 1.7 !#A 319 -4.57e+04 assign (resid 32 and name HB#) (resid 35 and name HB1) 4.0 2.2 1.7 !#A 342 -6.83e+04 !E33 !Q34 assign (resid 34 and name HE21) (resid 34 and name HG#) 2.5 0.7 0.9 !#A 799 -1.09e+05 assign (resid 34 and name HE22) (resid 34 and name HG#) 4.0 2.2 1.7 !#A 798 -4.34e+04 assign (resid 34 and name HN) (resid 34 and name HB2) 4.0 2.2 1.7 !#A 335 5.46e+04 assign (resid 34 and name HN) (resid 34 and name HG#) 4.0 2.2 1.7 !#A 338 -9.49e+04 assign (resid 34 and name HG#) (resid 46 and name HB2) 4.0 2.2 1.7 !#A 438 -7.81e+04 assign (resid 34 and name HG#) (resid 46 and name HD1) 4.0 2.2 2.4 !#A 910 -8.53e+04 assign (resid 34 and name HG#) (resid 46 and name HB1) 3.0 1.2 1.0 !#A 912 -2.30e+05 assign (resid 34 and name HN) (resid 46 and name HA) 4.0 2.2 1.0 !#A 822 3.96e+04 assign (resid 34 and name HG#) (resid 46 and name HA) 4.0 2.2 1.7 !#A 932 4.04e+04 assign (resid 34 and name HG#) (resid 46 and name HG1) 3.0 1.2 1.7 !#A 934 9.64e+04 assign (resid 34 and name HG#) (resid 46 and name HG2) 4.0 2.2 2.4 !#A 442 4.67e+04 !C35 assign (resid 35 and name HN) (resid 36 and name HB1) 4.0 2.2 1.0 !#A 351 -4.70e+04 !F36 assign (resid 36 and name HD2) (resid 36 and name HB1) 4.0 2.2 1.0 !#A 915 -5.29e+04 assign (resid 36 and name HD2) (resid 36 and name HB2) 3.0 1.2 0.3 !#A 354 -6.61e+04 assign (resid 36 and name HN) (resid 37 and name HG2#) 4.0 2.2 2.5 !#A 921 8.87e+04 assign (resid 36 and name HD2) (resid 52 and name HB1) 4.0 2.2 1.7 !#A 916 -4.63e+04 assign (resid 36 and name HB1) (resid 59 and name HB1) 4.0 2.2 1.0 !#A 356 -4.18e+04 !V37 assign (resid 37 and name HB) (resid 38 and name HB2) 4.0 2.2 1.0 !#A 360 -4.02e+04 assign (resid 37 and name HG1#) (resid 42 and name HB1) 4.0 2.2 3.2 !#A 810 5.96e+04 assign (resid 37 and name HG2#) (resid 44 and name HG#) 4.0 2.2 3.2 !#A 725 1.13e+05 assign (resid 37 and name HG2#) (resid 44 and name HB1) 4.0 2.2 2.5 !#A 849 4.68e+04 assign (resid 37 and name HG2#) (resid 44 and name HN) 4.0 2.2 2.5 !#A 368 7.17e+04 !C38 assign (resid 38 and name HB2) (resid 39 and name HN) 4.0 2.2 1.0 !#A 373 -4.70e+04 assign (resid 38 and name HB1) (resid 41 and name HB1) 4.0 2.2 1.7 !#A 922 -1.05e+05 assign (resid 38 and name HB1) (resid 41 and name HN) 4.0 2.2 1.0 !#A 811 -4.60e+04 assign (resid 38 and name HB1) (resid 43 and name HB#) 4.0 2.2 1.7 !#A 928 -4.55e+04 assign (resid 38 and name HB2) (resid 43 and name HB#) 4.0 2.2 1.7 !#A 812 -3.84e+04 assign (resid 38 and name HB2) (resid 43 and name HN) 4.0 2.2 1.0 !#A 56 -5.92e+04 assign (resid 38 and name HB2) (resid 58 and name HD2) 4.0 2.2 1.0 !#A 923 -1.26e+05 assign (resid 38 and name HB2) (resid 59 and name HB2) 4.0 2.2 1.0 !#A 594 -4.59e+04 !A39 assign (resid 39 and name HB#) (resid 40 and name HB#) 4.0 2.2 2.1 !#A 813 5.82e+04 assign (resid 39 and name HB#) (resid 40 and name HN) 3.0 1.2 0.7 !#A 926 8.54e+04 assign (resid 39 and name HB#) (resid 56 and name HD1) 4.0 2.2 2.1 !#A 530 -3.87e+04 assign (resid 39 and name HB#) (resid 56 and name HB1) 2.5 0.7 1.3 !#A 382 1.41e+05 assign (resid 39 and name HB#) (resid 56 and name HG1) 4.0 2.2 2.1 !#A 381 5.87e+04 assign (resid 39 and name HB#) (resid 56 and name HD2) 4.0 2.2 2.1 !#A 379 5.65e+04 assign (resid 39 and name HB#) (resid 56 and name HB2) 4.0 2.2 2.1 !#A 380 5.40e+04 assign (resid 39 and name HB#) (resid 57 and name HN) 3.0 1.2 0.7 !#A 377 8.57e+04 assign (resid 39 and name HB#) (resid 58 and name HD2) 4.0 2.2 1.4 !#A 925 4.10e+04 assign (resid 39 and name HB#) (resid 58 and name HE2) 4.0 2.2 1.4 !#A 953 4.99e+04 !Q40 assign 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1.0 !#A 939 -5.00e+04 assign (resid 51 and name HE1) (resid 53 and name HD2) 4.0 2.2 1.0 !#A 956 9.01e+04 assign (resid 51 and name HD1) (resid 63 and name HD2) 4.0 2.2 1.0 !#A 965 -9.29e+04 assign (resid 51 and name HB2) (resid 63 and name HN) 4.0 2.2 1.0 !#A 941 -6.90e+04 !E52 assign (resid 52 and name HB1) (resid 52 and name HG2) 2.5 0.7 1.6 !#A 485 -2.08e+05 assign (resid 52 and name HB1) (resid 52 and name HG1) 3.0 1.2 1.7 !#A 486 -1.46e+05 !F53 assign (resid 53 and name HD1) (resid 53 and name HB1) 3.0 1.2 1.0 !#A 944 -6.53e+04 assign (resid 53 and name HD2) (resid 53 and name HB2) 4.0 2.2 1.7 !#A 945 -4.47e+04 assign (resid 53 and name HN) (resid 53 and name HB2) 3.0 1.2 1.0 !#A 491 -8.77e+04 assign (resid 53 and name HB1) (resid 58 and name HE1) 4.0 2.2 1.7 !#A 844 8.54e+04 !E54 assign (resid 54 and name HB2) (resid 54 and name HG2) 3.0 1.2 1.7 !#A 500 -1.79e+05 assign (resid 54 and name HG1) (resid 54 and name HB1) 3.0 1.2 1.7 !#A 495 1.13e+05 assign (resid 54 and name HB2) 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and name HB1) (resid 64 and name HG2) 4.0 2.2 2.4 !#A 615 -2.06e+05 assign (resid 60 and name HB2) (resid 64 and name HB1) 4.0 2.2 2.4 !#A 613 -4.64e+04 assign (resid 60 and name HB1) (resid 64 and name HB1) 4.0 2.2 2.4 !#A 616 -3.91e+05 assign (resid 60 and name HG2) (resid 64 and name HG2) 4.0 2.2 2.4 !#A 655 -7.66e+04 assign (resid 60 and name HG1) (resid 64 and name HG1) 4.0 2.2 2.4 !#A 612 -4.13e+04 assign (resid 60 and name HG1) (resid 64 and name HB1) 3.0 1.2 1.7 !#A 611 -6.37e+04 assign (resid 60 and name HG2) (resid 64 and name HB1) 2.5 0.7 1.6 !#A 610 -2.67e+05 !H61 !D62 assign (resid 62 and name HB2) (resid 63 and name HB2) 4.0 2.2 1.0 !#A 961 -6.36e+04 assign (resid 62 and name HB2) (resid 66 and name HD1#) 4.0 2.2 2.5 !#A 972 3.79e+04 !F63 assign (resid 63 and name HB1) (resid 63 and name HD1) 4.0 2.2 1.0 !#A 963 -5.82e+04 assign (resid 63 and name HB2) (resid 63 and name HD2) 4.0 2.2 1.0 !#A 964 -5.07e+04 assign (resid 63 and name HB2) (resid 64 and name HN) 4.0 2.2 1.0 !#A 639 -5.59e+04 !Q64 assign (resid 64 and name HB1) (resid 64 and name HG2) 3.0 1.2 1.7 !#A 657 -8.74e+04 assign (resid 64 and name HB2) (resid 64 and name HG1) 3.0 1.2 1.7 !#A 658 -1.43e+05 assign (resid 64 and name HB1) (resid 64 and name HG1) 3.0 1.2 1.7 !#A 653 -6.50e+04 assign (resid 64 and name HG2) (resid 64 and name HB2) 3.0 1.2 1.7 !#A 647 2.23e+05 assign (resid 64 and name HG1) (resid 65 and name HG2) 4.0 2.2 2.4 !#A 969 -9.59e+04 assign (resid 64 and name HG2) (resid 65 and name HG2) 4.0 2.2 2.4 !#A 654 -1.15e+05 assign (resid 64 and name HG1) (resid 65 and name HG1) 4.0 2.2 2.4 !#A 659 -1.82e+05 !M65 assign (resid 65 and name HN) (resid 66 and name HG) 4.0 2.2 1.0 !#A 971 4.84e+04 assign (resid 65 and name HB#) (resid 66 and name HN) 3.0 1.2 1.0 !#A 967 -1.06e+05 !L66 assign (resid 66 and name HD2#) (resid 66 and name HB1) 4.0 2.2 2.5 !#A 673 -5.96e+04 assign (resid 66 and name HB1) (resid 66 and name HD1#) 2.5 0.7 1.7 !#A 683 3.50e+05 assign (resid 66 and name HD1#) (resid 66 and name HB2) 3.0 1.2 1.8 !#A 672 -7.15e+04 assign (resid 66 and name HB2) (resid 66 and name HG) 4.0 2.2 1.0 !#A 970 4.60e+04 assign (resid 66 and name HN) (resid 66 and name HB1) 4.0 2.2 1.0 !#A 675 -4.96e+04 !F67 assign (resid 67 and name HD2) (resid 67 and name HB2) 4.0 2.2 1.0 !#A 974 -3.63e+04 assign (resid 67 and name HB1) (resid 69 and name HG#) 4.0 2.2 1.7 !#A 973 -7.64e+04 !A68 assign (resid 68 and name HB#) (resid 69 and name HD1) 4.0 2.2 2.1 !#A 708 -3.98e+04 !P69 assign (resid 69 and name HB2) (resid 69 and name HA) 3.0 1.2 1.0 !#A 692 9.32e+04 assign (resid 69 and name HB1) (resid 69 and name HA) 4.0 2.2 1.7 !#A 693 4.52e+04 !C70
Contact the webmaster for help, if required. Friday, May 17, 2024 7:18:16 AM GMT (wattos1)