NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
2361 | 1brz | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
! PROBABLE ASSIGNMENTS: assign ((resid 18 and name HB1)) ((resid 18 and name HA)) 2.90846 1.20846 1.09154 assign ((resid 18 and name HA)) ((resid 19 and name HN)) 2.53572 0.835716 1.46428 assign ((resid 30 and name HG#) OR (resid 18 and name HD#)) ((resid 30 and name HA) OR (resid 18 and name HA)) 2.56384 0.863842 1.43616 assign ((resid 18 and name HA)) ((resid 18 and name HN)) 3.26181 1.56181 0.988188 assign ((resid 30 and name HA)) ((resid 31 and name HN)) 3.42343 1.72343 0.826569 assign ((resid 30 and name HB1) OR (resid 17 and name HB1)) ((resid 30 and name HA) OR (resid 18 and name HA)) 2.87574 1.17574 1.12426 assign ((resid 30 and name HG*) OR (resid 30 and name HD*)) ((resid 30 and name HA) OR (resid 30 and name HA)) 2.51568 0.815682 1.48432 assign ((resid 29 and name HB1) OR (resid 25 and name HB2)) ((resid 29 and name HA) OR (resid 29 and name HA)) 2.54971 0.849712 1.45029 assign ((resid 29 and name HA)) ((resid 29 and name HN)) 3.12537 1.42537 0.87463 assign ((resid 12 and name HA)) ((resid 13 and name HN)) 2.49122 0.791218 0.708782 assign ((resid 13 and name HA) OR (resid 14 and name HB*) OR (resid 14 and name HB#)) ((resid 12 and name HA) OR (resid 12 and name HA) OR (resid 12 and name HA)) 3.74762 2.04762 1.75238 assign ((resid 12 and name HB*)) ((resid 12 and name HA)) 2.57922 0.879219 1.42078 assign ((resid 12 and name HB#) OR (resid 12 and name HG*)) ((resid 12 and name HA) OR (resid 12 and name HA)) 2.72621 1.02621 1.27379 assign ((resid 12 and name HG#)) ((resid 12 and name HA)) 3.487 1.787 0.763002 assign ((resid 13 and name HG#) OR (resid 13 and name HG*)) ((resid 12 and name HA) OR (resid 12 and name HA)) 3.2907 1.5907 0.959297 assign ((resid 52 and name HA)) ((resid 52 and name HN)) 3.13859 1.43859 0.861413 assign ((resid 52 and name HA)) ((resid 53 and name HN)) 2.84338 1.14338 1.15662 assign ((resid 12 and name HD#) OR (resid 52 and name HB1)) ((resid 12 and name HA) OR (resid 52 and name HA)) 2.69796 0.997959 3.08204 assign ((resid 4 and name HB1)) ((resid 52 and name HA)) 3.8523 2.1523 1.6477 assign ((resid 10 and name HA) OR (resid 8 and name HA)) ((resid 9 and name HN) OR (resid 9 and name HN)) 2.47839 0.778392 0.721608 assign ((resid 8 and name HA)) ((resid 8 and name HD+)) 2.88115 1.18115 1.11885 assign ((resid 8 and name HA)) ((resid 8 and name HN)) 3.34962 1.64962 0.900378 assign ((resid 11 and name HB*) OR (resid 8 and name HB*)) ((resid 8 and name HA) OR (resid 8 and name HA)) 2.71598 1.01598 1.28402 assign ((resid 42 and name HA)) ((resid 43 and name HN)) 3.29417 1.59417 0.955828 assign ((resid 42 and name HA)) ((resid 42 and name HN)) 2.90806 1.20806 1.09194 assign ((resid 43 and name HB+) OR (resid 42 and name HB#) OR (resid 9 and name HB#) OR (resid 9 and name HB#)) ((resid 42 and name HA) OR (resid 42 and name HA) OR (resid 10 and name HA) OR (resid 8 and name HA)) 2.4736 0.773597 0.726403 assign ((resid 42 and name HB*) OR (resid 6 and name HB*)) ((resid 42 and name HA) OR (resid 8 and name HA)) 2.94767 1.24767 1.05233 assign ((resid 42 and name HD#)) ((resid 42 and name HA)) 3.09877 1.39877 0.901235 assign ((resid 42 and name HG#) OR (resid 33 and name HG#)) ((resid 42 and name HA) OR (resid 52 and name HA)) 2.7603 1.0603 1.2397 assign ((resid 42 and name HG*)) ((resid 42 and name HA)) 2.89372 1.19372 1.10628 assign ((resid 11 and name HA) OR (resid 9 and name HA) OR (resid 9 and name HA) OR (resid 41 and name HA) OR (resid 51 and name HA)) ((resid 10 and name HA) OR (resid 10 and name HA) OR (resid 8 and name HA) OR (resid 42 and name HA) OR (resid 52 and name HA)) 3.17055 1.47055 0.829451 assign ((resid 10 and name HA) OR (resid 42 and name HA)) ((resid 10 and name HD2#) OR (resid 44 and name HD2#)) 4.32627 2.62627 1.17373 assign ((resid 10 and name HB*) OR (resid 8 and name HB#) OR (resid 52 and name HB2)) ((resid 10 and name HA) OR (resid 8 and name HA) OR (resid 52 and name HA)) 2.25665 0.556652 0.743348 assign ((resid 10 and name HA) OR (resid 8 and name HA)) ((resid 10 and name HN) OR (resid 10 and name HN)) 2.41669 0.716693 0.783307 assign ((resid 10 and name HA)) ((resid 11 and name HN)) 3.03245 1.33245 0.967551 assign ((resid 1 and name HA)) ((resid 2 and name HN)) 2.65159 0.951589 1.34841 assign ((resid 48 and name HA) OR (resid 1 and name HA) OR (resid 1 and name HA)) ((resid 49 and name HN) OR (resid 3 and name HN) OR (resid 2 and name HN)) 2.53972 0.839717 1.46028 assign ((resid 48 and name HA) OR (resid 48 and name HA)) ((resid 8 and name HN) OR (resid 47 and name HN)) 3.10894 1.40894 0.89106 assign ((resid 7 and name HA)) ((resid 48 and name HA)) 2.61546 0.915465 1.38454 assign ((resid 48 and name HG1#) OR (resid 3 and name HD+)) ((resid 48 and name HA) OR (resid 3 and name HA)) 3.08684 1.38684 0.913156 assign ((resid 48 and name HG2+) OR (resid 48 and name HD1+)) ((resid 48 and name HA) OR (resid 48 and name HA)) 2.57677 0.876765 1.42323 assign ((resid 48 and name HA)) ((resid 48 and name HN)) 3.42491 1.72491 0.825088 assign ((resid 3 and name HA) OR (resid 3 and name HA) OR (resid 48 and name HA)) ((resid 3 and name HN) OR (resid 2 and name HN) OR (resid 49 and name HN)) 2.36962 0.669617 0.830383 assign ((resid 46 and name HB*) OR (resid 6 and name HB#) OR (resid 3 and name HB#)) ((resid 48 and name HA) OR (resid 48 and name HA) OR (resid 3 and name HA)) 2.87327 1.17327 1.12673 assign ((resid 53 and name HB*) OR (resid 5 and name HB+) OR (resid 3 and name HB*)) ((resid 53 and name HA) OR (resid 48 and name HA) OR (resid 3 and name HA)) 2.60163 0.90163 1.39837 assign ((resid 3 and name HG+) OR (resid 33 and name HB#) OR (resid 33 and name HG#)) ((resid 3 and name HA) OR (resid 53 and name HA) OR (resid 53 and name HA)) 2.85407 1.15407 1.14593 assign ((resid 22 and name HA)) ((resid 26 and name HN)) 4.30754 2.60754 1.19246 assign ((resid 22 and name HA)) ((resid 25 and name HN)) 3.71936 2.01936 1.78064 assign ((resid 22 and name HA)) ((resid 11 and name HH)) 3.29596 1.59596 0.954036 assign ((resid 22 and name HA)) ((resid 23 and name HN)) 3.58647 1.88647 1.91353 assign ((resid 25 and name HB2) OR (resid 22 and name HB#)) ((resid 22 and name HA) OR (resid 22 and name HA)) 2.46542 0.76542 0.73458 assign ((resid 48 and name HB)) ((resid 48 and name HA)) 2.92804 1.22804 1.07196 assign ((resid 53 and name HG#) OR (resid 33 and name HD*) OR (resid 26 and name HB1)) ((resid 53 and name HA) OR (resid 53 and name HA) OR (resid 22 and name HA)) 3.31006 1.61006 0.939941 assign ((resid 53 and name HA)) ((resid 54 and name HN)) 2.51642 0.816424 1.48358 assign ((resid 53 and name HA)) ((resid 54 and name HD+)) 3.71585 2.01585 1.78415 assign ((resid 53 and name HB#)) ((resid 53 and name HA)) 2.93814 1.23814 1.06186 assign ((resid 36 and name HA)) ((resid 37 and name HN)) 2.50854 0.80854 1.49146 assign ((resid 36 and name HA)) ((resid 36 and name HN)) 3.46614 1.76614 0.78386 assign ((resid 36 and name HB*)) ((resid 36 and name HA)) 2.99034 1.29034 1.00966 assign ((resid 36 and name HB#)) ((resid 36 and name HA)) 2.32796 0.627962 0.872038 assign ((resid 17 and name HA)) ((resid 17 and name HN)) 2.96664 1.26664 1.03336 assign ((resid 51 and name HA) OR (resid 17 and name HA)) ((resid 51 and name HD+) OR (resid 18 and name HN)) 2.74042 1.04042 1.25958 assign ((resid 41 and name HA)) ((resid 41 and name HN)) 2.91174 1.21174 1.08826 assign ((resid 41 and name HB*)) ((resid 41 and name HA)) 2.26869 0.568694 0.731306 assign ((resid 45 and name HD*)) ((resid 45 and name HA)) 3.0006 1.3006 0.9994 assign ((resid 45 and name HD#)) ((resid 45 and name HA)) 2.83827 1.13827 1.16173 assign ((resid 9 and name HA)) ((resid 9 and name HN)) 3.00483 1.30483 0.995169 assign ((resid 34 and name HB#) OR (resid 45 and name HA)) ((resid 35 and name HN) OR (resid 44 and name HN)) 3.00796 1.30796 0.992042 assign ((resid 45 and name HA)) ((resid 45 and name HN)) 3.07652 1.37652 0.923482 assign ((resid 11 and name HA) OR (resid 9 and name HA)) ((resid 10 and name HN) OR (resid 10 and name HN)) 2.39494 0.694942 0.805058 assign ((resid 34 and name HB#) OR (resid 11 and name HA) OR (resid 9 and name HA)) ((resid 23 and name HD2#) OR (resid 11 and name HN) OR (resid 11 and name HN)) 2.92393 1.22393 1.07607 assign ((resid 54 and name HA)) ((resid 54 and name HD+)) 2.82483 1.12483 1.17517 assign ((resid 34 and name HB*)) ((resid 34 and name HB#)) 2.68915 0.989151 1.31085 assign ((resid 50 and name HB#) OR (resid 38 and name HB#) OR (resid 54 and name HB#)) ((resid 51 and name HA) OR (resid 45 and name HA) OR (resid 54 and name HA)) 2.56176 0.861764 1.43824 assign ((resid 23 and name HB1) OR (resid 11 and name HB*) OR (resid 11 and name HB*) OR (resid 8 and name HB*) OR (resid 8 and name HB*)) ((resid 34 and name HB#) OR (resid 11 and name HA) OR (resid 9 and name HA) OR (resid 11 and name HA) OR (resid 9 and name HA)) 2.52852 0.828525 1.47148 assign ((resid 7 and name HG2*)) ((resid 9 and name HA)) 2.85625 1.15625 1.14375 assign ((resid 12 and name HD#) OR (resid 52 and name HB1)) ((resid 11 and name HA) OR (resid 54 and name HA)) 2.51591 0.81591 1.48409 assign ((resid 53 and name HB*) OR (resid 53 and name HB*) OR (resid 12 and name HB#) OR (resid 12 and name HG*)) ((resid 34 and name HB#) OR (resid 54 and name HA) OR (resid 11 and name HA) OR (resid 11 and name HA)) 3.09742 1.39742 0.902582 assign ((resid 33 and name HA) OR (resid 34 and name HB#)) ((resid 34 and name HN) OR (resid 34 and name HN)) 3.00851 1.30851 0.991494 assign ((resid 33 and name HG*) OR (resid 33 and name HG*) OR (resid 45 and name HB*) OR (resid 45 and name HB*) OR (resid 45 and name HG)) ((resid 33 and name HA) OR (resid 34 and name HB#) OR (resid 14 and name HA) OR (resid 45 and name HA) OR (resid 45 and name HA)) 2.17968 0.479677 0.820323 assign ((resid 33 and name HB#) OR (resid 33 and name HB#) OR (resid 33 and name HG#) OR (resid 33 and name HG#)) ((resid 33 and name HA) OR (resid 34 and name HB#) OR (resid 33 and name HA) OR (resid 34 and name HB#)) 2.34715 0.64715 0.85285 assign ((resid 45 and name HA)) ((resid 46 and name HN)) 2.4426 0.742598 0.757402 assign ((resid 54 and name HA)) ((resid 54 and name HN)) 2.89051 1.19051 1.10949 assign ((resid 13 and name HA) OR (resid 14 and name HB*) OR (resid 23 and name HA) OR (resid 14 and name HB#)) ((resid 14 and name HA) OR (resid 14 and name HA) OR (resid 34 and name HB#) OR (resid 14 and name HA)) 2.321 0.621002 0.878998 assign ((resid 13 and name HG*) OR (resid 13 and name HG*) OR (resid 13 and name HG*) OR (resid 27 and name HG+) OR (resid 27 and name HG+)) ((resid 14 and name HA) OR (resid 11 and name HA) OR (resid 45 and name HA) OR (resid 33 and name HA) OR (resid 34 and name HB#)) 3.09858 1.39858 0.901419 assign ((resid 11 and name HA) OR (resid 54 and name HA)) ((resid 8 and name HE+) OR (resid 54 and name HE+)) 2.76841 1.06841 1.23159 ! ! manually added 26-8 ! 12/15/97 ! assign ((resid 26 and name HA) OR (resid 11 and name HA) OR (resid 9 and name HA)) ((resid 8 and name HD+) OR (resid 8 and name HD+) OR (resid 8 and name HD+)) 2.94797 1.24797 1.05203 assign ((resid 26 and name HA)) ((resid 30 and name HN)) 3.25518 1.55518 0.994815 assign ((resid 19 and name HA)) ((resid 20 and name HN)) 2.41138 0.711384 0.788616 assign ((resid 19 and name HA)) ((resid 19 and name HN)) 2.9546 1.2546 1.0454 assign ((resid 19 and name HB+)) ((resid 19 and name HA)) 2.44231 0.742308 0.757692 assign ((resid 32 and name HA) OR (resid 19 and name HA)) ((resid 51 and name HD+) OR (resid 18 and name HN)) 2.90159 1.20159 1.09841 assign ((resid 32 and name HA)) ((resid 51 and name HE+)) 3.22778 1.52778 0.772216 assign ((resid 32 and name HB+) OR (resid 32 and name HB+)) ((resid 32 and name HA) OR (resid 26 and name HA)) 2.34421 0.644207 0.855793 assign ((resid 27 and name HA) OR (resid 27 and name HA) OR (resid 32 and name HA)) ((resid 32 and name HN) OR (resid 27 and name HN) OR (resid 32 and name HN)) 2.43043 0.730427 0.769573 assign ((resid 27 and name HG+) OR (resid 27 and name HG+)) ((resid 28 and name HA) OR (resid 27 and name HA)) 2.82615 1.12615 1.17385 assign ((resid 28 and name HA) OR (resid 27 and name HA) OR (resid 32 and name HA)) ((resid 31 and name HN) OR (resid 31 and name HN) OR (resid 31 and name HN)) 3.35047 1.65047 0.899531 assign ((resid 28 and name HA) OR (resid 27 and name HA)) ((resid 29 and name HN) OR (resid 29 and name HN)) 3.4028 1.7028 0.847196 assign ((resid 28 and name HA) OR (resid 27 and name HA) OR (resid 27 and name HA) OR (resid 32 and name HA)) ((resid 28 and name HN) OR (resid 28 and name HN) OR (resid 33 and name HN) OR (resid 33 and name HN)) 2.66704 0.967043 1.33296 assign ((resid 28 and name HB#) OR (resid 28 and name HB#) OR (resid 27 and name HD#) OR (resid 27 and name HB1) OR (resid 27 and name HB1)) ((resid 28 and name HA) OR (resid 27 and name HA) OR (resid 27 and name HA) OR (resid 28 and name HA) OR (resid 27 and name HA)) 2.26317 0.563167 0.736833 assign ((resid 28 and name HB*) OR (resid 28 and name HB*)) ((resid 28 and name HA) OR (resid 27 and name HA)) 2.38434 0.684338 0.815662 assign ((resid 28 and name HD#)) ((resid 28 and name HA)) 2.73442 1.03442 1.26558 assign ((resid 15 and name HG#)) ((resid 15 and name HA)) 2.85538 1.15538 1.14462 assign ((resid 15 and name HA) OR (resid 15 and name HA)) ((resid 15 and name HN) OR (resid 16 and name HN)) 3.03759 1.33759 0.962407 assign ((resid 15 and name HA)) ((resid 17 and name HN)) 3.7407 2.0407 1.7593 assign ((resid 15 and name HB#)) ((resid 15 and name HA)) 2.78648 1.08648 1.21352 assign ((resid 35 and name HA#)) ((resid 50 and name HN)) 3.74831 2.04831 1.75169 assign ((resid 35 and name HA#)) ((resid 49 and name HA)) 2.8887 1.1887 1.1113 assign ((resid 7 and name HA) OR (resid 34 and name HB*)) ((resid 48 and name HN) OR (resid 35 and name HN)) 2.75758 1.05758 1.24242 assign ((resid 7 and name HA)) ((resid 7 and name HN)) 3.22787 1.52787 0.772134 assign ((resid 7 and name HG1*)) ((resid 7 and name HA)) 2.8531 1.1531 1.1469 assign ((resid 7 and name HG2*)) ((resid 7 and name HA)) 2.95826 1.25826 1.04174 assign ((resid 7 and name HA) OR (resid 7 and name HA)) ((resid 8 and name HN) OR (resid 47 and name HN)) 2.64366 0.943658 1.35634 assign ((resid 7 and name HA)) ((resid 49 and name HN)) 3.30445 1.60445 0.945553 assign ((resid 48 and name HG1*)) ((resid 7 and name HA)) 3.27023 1.57023 0.979769 assign ((resid 48 and name HG2+)) ((resid 7 and name HA)) 2.92709 1.22709 1.07291 assign ((resid 48 and name HG2+) OR (resid 48 and name HD1+)) ((resid 7 and name HA) OR (resid 7 and name HA)) 3.01367 1.31367 0.986326 assign ((resid 24 and name HA)) ((resid 25 and name HN)) 3.66185 1.96185 1.83815 assign ((resid 27 and name HD*)) ((resid 24 and name HA)) 3.45564 1.75564 0.794363 assign ((resid 24 and name HA)) ((resid 24 and name HD+)) 2.15745 0.457452 0.842548 assign ((resid 24 and name HB#)) ((resid 24 and name HA)) 2.99987 1.29987 1.00013 assign ((resid 24 and name HB*)) ((resid 24 and name HA)) 2.6763 0.976296 1.3237 assign ((resid 28 and name HB#) OR (resid 27 and name HD#) OR (resid 27 and name HB1)) ((resid 24 and name HA) OR (resid 24 and name HA) OR (resid 24 and name HA)) 2.94694 1.24694 1.05306 assign ((resid 21 and name HB*)) ((resid 21 and name HA)) 2.94586 1.24586 1.05414 assign ((resid 21 and name HA)) ((resid 24 and name HD+)) 3.53015 1.83015 1.96985 assign ((resid 23 and name HA) OR (resid 21 and name HA)) ((resid 25 and name HN) OR (resid 25 and name HN)) 3.74924 2.04924 1.75076 assign ((resid 21 and name HA)) ((resid 21 and name HN)) 2.90124 1.20124 1.09876 assign ((resid 24 and name HB#) OR (resid 24 and name HB#)) ((resid 23 and name HA) OR (resid 21 and name HA)) 2.79955 1.09955 1.20045 assign ((resid 24 and name HB*) OR (resid 24 and name HB*)) ((resid 23 and name HA) OR (resid 21 and name HA)) 3.23164 1.53164 0.768364 assign ((resid 23 and name HB2)) ((resid 23 and name HA)) 2.46608 0.766076 0.733924 assign ((resid 23 and name HB1) OR (resid 11 and name HB*)) ((resid 23 and name HA) OR (resid 13 and name HA)) 2.84537 1.14537 2.93463 assign ((resid 23 and name HA)) ((resid 26 and name HN)) 3.81215 2.11215 1.68785 assign ((resid 23 and name HA)) ((resid 35 and name HN)) 2.71571 1.01571 1.28429 assign ((resid 26 and name HB2)) ((resid 23 and name HA)) 3.00389 1.30389 0.996107 assign ((resid 13 and name HA) OR (resid 14 and name HB*) OR (resid 14 and name HB#)) ((resid 13 and name HN) OR (resid 13 and name HN) OR (resid 13 and name HN)) 2.91721 1.21721 1.08279 assign ((resid 13 and name HA) OR (resid 14 and name HB*) OR (resid 14 and name HB#)) ((resid 15 and name HN) OR (resid 15 and name HN) OR (resid 15 and name HN)) 2.95911 1.25911 1.04089 assign ((resid 13 and name HB) OR (resid 13 and name HB) OR (resid 13 and name HB)) ((resid 13 and name HA) OR (resid 14 and name HB*) OR (resid 14 and name HB#)) 2.70349 1.00349 1.29651 assign ((resid 13 and name HG*) OR (resid 13 and name HG*) OR (resid 13 and name HG*)) ((resid 13 and name HA) OR (resid 14 and name HB*) OR (resid 14 and name HB#)) 2.5542 0.854203 1.4458 assign ((resid 45 and name HD*)) ((resid 13 and name HA)) 4.17782 2.47782 1.32218 assign ((resid 37 and name HB2)) ((resid 37 and name HN)) 2.9054 1.2054 1.0946 assign ((resid 37 and name HB1) OR (resid 22 and name HB*)) ((resid 37 and name HB2) OR (resid 37 and name HB2)) 2.31063 0.610629 0.889371 assign ((resid 43 and name HA)) ((resid 44 and name HN)) 3.11298 1.41298 0.887025 assign ((resid 43 and name HA)) ((resid 39 and name HD+)) 2.97504 1.27504 1.02496 assign ((resid 39 and name HB+)) ((resid 43 and name HA)) 2.66569 0.965693 1.33431 assign ((resid 43 and name HB+) OR (resid 42 and name HB#)) ((resid 43 and name HA) OR (resid 43 and name HA)) 2.58517 0.885174 1.41483 assign ((resid 43 and name HA)) ((resid 42 and name HN)) 3.70546 2.00546 1.79454 assign ((resid 52 and name HB1)) ((resid 53 and name HN)) 3.20285 1.50285 2.57715 assign ((resid 52 and name HB1)) ((resid 52 and name HN)) 3.21785 1.51785 2.56215 assign ((resid 52 and name HB2) OR (resid 50 and name HB#)) ((resid 52 and name HB1) OR (resid 52 and name HB1)) 2.23946 0.539457 0.760543 assign ((resid 4 and name HB1)) ((resid 52 and name HB1)) 4.06799 2.36799 1.43201 assign ((resid 12 and name HD*)) ((resid 12 and name HD#)) 2.29702 0.597022 0.702978 assign ((resid 31 and name HB*)) ((resid 31 and name HN)) 3.4387 1.7387 0.811302 assign ((resid 51 and name HB1)) ((resid 51 and name HD+)) 2.62826 0.928259 3.15174 assign ((resid 51 and name HB1)) ((resid 51 and name HA)) 2.88575 1.18575 2.89425 assign ((resid 51 and name HB2)) ((resid 51 and name HB1)) 2.23333 0.533327 0.766673 assign ((resid 40 and name HB1)) ((resid 40 and name HB2)) 2.35476 0.654764 0.845236 assign ((resid 40 and name HB2)) ((resid 41 and name HN)) 2.68899 0.988992 3.09101 assign ((resid 4 and name HB1)) ((resid 4 and name HN)) 3.13611 1.43611 2.64389 assign ((resid 16 and name HB2) OR (resid 16 and name HB2)) ((resid 15 and name HN) OR (resid 16 and name HN)) 2.71172 1.01172 1.28828 assign ((resid 16 and name HB2)) ((resid 17 and name HN)) 3.54111 1.84111 1.95889 assign ((resid 45 and name HD#)) ((resid 16 and name HB2)) 3.57667 1.87667 3.70333 assign ((resid 45 and name HD*)) ((resid 16 and name HB2)) 3.22178 1.52178 2.55822 assign ((resid 24 and name HB#)) ((resid 24 and name HN)) 2.90857 1.20857 1.09143 assign ((resid 24 and name HB#)) ((resid 24 and name HD+)) 2.86753 1.16753 1.13247 assign ((resid 24 and name HB#)) ((resid 25 and name HN)) 2.86839 1.16839 1.13161 assign ((resid 25 and name HB1) OR (resid 16 and name HB2)) ((resid 11 and name HE#) OR (resid 11 and name HE#)) 3.55184 1.85184 3.72816 assign ((resid 25 and name HB1) OR (resid 24 and name HB#) OR (resid 16 and name HB2)) ((resid 11 and name HH) OR (resid 11 and name HH) OR (resid 11 and name HH)) 3.38222 1.68222 2.64778 assign ((resid 25 and name HB1) OR (resid 24 and name HB#)) ((resid 26 and name HN) OR (resid 26 and name HN)) 3.66761 1.96761 3.61239 assign ((resid 25 and name HB1) OR (resid 24 and name HB#)) ((resid 8 and name HE+) OR (resid 24 and name HE+)) 2.67974 0.979741 3.10026 ! ! manually added 24-11 ! 12/14/97 ! assign ((resid 24 and name HB#) OR (resid 25 and name HB1)) ((resid 11 and name HE*) OR (resid 11 and name HE*)) 3.46053 1.76053 0.789472 assign ((resid 54 and name HB#)) ((resid 54 and name HN)) 3.13933 1.43933 0.860674 assign ((resid 50 and name HB#) OR (resid 38 and name HB#)) ((resid 50 and name HN) OR (resid 39 and name HN)) 2.75391 1.05391 1.24609 assign ((resid 24 and name HB*) OR (resid 38 and name HB#)) ((resid 24 and name HD+) OR (resid 38 and name HD+)) 2.49459 0.794589 0.705411 assign ((resid 38 and name HB#)) ((resid 38 and name HD+)) 2.66365 0.963646 1.33635 assign ((resid 24 and name HB*)) ((resid 24 and name HN)) 2.81176 1.11176 1.18824 assign ((resid 50 and name HB#)) ((resid 50 and name HA)) 2.99525 1.29525 1.00475 assign ((resid 52 and name HB2) OR (resid 50 and name HB#)) ((resid 52 and name HN) OR (resid 52 and name HN)) 2.86451 1.16451 1.13549 assign ((resid 52 and name HB2) OR (resid 50 and name HB#)) ((resid 53 and name HN) OR (resid 53 and name HN)) 3.03995 1.33995 0.960053 assign ((resid 10 and name HB*) OR (resid 8 and name HB#)) ((resid 10 and name HN) OR (resid 10 and name HN)) 3.27193 1.57193 0.978067 assign ((resid 8 and name HB#) OR (resid 8 and name HB#)) ((resid 8 and name HN) OR (resid 47 and name HN)) 2.93515 1.23515 1.06485 assign ((resid 10 and name HB*)) ((resid 10 and name HD2*)) 3.63063 1.93063 1.86937 assign ((resid 10 and name HB*) OR (resid 8 and name HB#)) ((resid 8 and name HD+) OR (resid 8 and name HD+)) 2.72526 1.02526 1.27474 assign ((resid 23 and name HB2)) ((resid 23 and name HN)) 2.68522 0.985215 1.31478 assign ((resid 4 and name HB2)) ((resid 4 and name HN)) 2.82809 1.12809 1.17191 assign ((resid 10 and name HB#)) ((resid 10 and name HA)) 2.64627 0.946269 1.35373 assign ((resid 10 and name HB#)) ((resid 10 and name HD2*)) 2.57339 0.873391 1.42661 assign ((resid 29 and name HB2)) ((resid 29 and name HN)) 2.97082 1.27082 2.80918 assign ((resid 29 and name HB2) OR (resid 10 and name HB#)) ((resid 8 and name HE+) OR (resid 8 and name HE+)) 2.65774 0.957737 3.12226 assign ((resid 43 and name HD+)) ((resid 43 and name HA)) 2.64229 0.942288 1.35771 assign ((resid 45 and name HD*)) ((resid 16 and name HB1)) 3.13385 1.43385 0.86615 assign ((resid 16 and name HB1) OR (resid 16 and name HB1)) ((resid 15 and name HN) OR (resid 16 and name HN)) 3.03451 1.33451 2.74549 assign ((resid 45 and name HD#)) ((resid 16 and name HB1)) 3.40815 1.70815 0.841852 assign ((resid 44 and name HB2)) ((resid 44 and name HN)) 2.75837 1.05837 1.24163 assign ((resid 44 and name HB2)) ((resid 45 and name HN)) 3.31064 1.61064 2.71936 assign ((resid 44 and name HB2)) ((resid 44 and name HD2*)) 2.74999 1.04999 1.25001 assign ((resid 44 and name HB2)) ((resid 44 and name HD2#)) 3.18667 1.48667 0.813327 assign ((resid 51 and name HB2)) ((resid 51 and name HN)) 3.08792 1.38792 0.91208 assign ((resid 51 and name HB2)) ((resid 51 and name HD+)) 2.62527 0.925269 1.37473 assign ((resid 26 and name HB2)) ((resid 26 and name HN)) 2.80055 1.10055 1.19945 assign ((resid 26 and name HB2)) ((resid 27 and name HN)) 3.17409 1.47409 2.60591 assign ((resid 32 and name HB+) OR (resid 32 and name HB+)) ((resid 26 and name HB2) OR (resid 51 and name HB2)) 2.97109 1.27109 1.02891 assign ((resid 25 and name HB2) OR (resid 11 and name HB#)) ((resid 8 and name HD+) OR (resid 8 and name HD+)) 2.69824 0.998238 1.30176 assign ((resid 39 and name HB+) OR (resid 26 and name HB2)) ((resid 39 and name HN) OR (resid 50 and name HN)) 2.60068 0.900676 1.39932 assign ((resid 25 and name HB2) OR (resid 22 and name HB#)) ((resid 22 and name HN) OR (resid 22 and name HN)) 2.79934 1.09934 1.20066 assign ((resid 25 and name HB2) OR (resid 11 and name HB#) OR (resid 22 and name HB#)) ((resid 11 and name HH) OR (resid 11 and name HH) OR (resid 11 and name HH)) 3.10613 1.40613 0.893875 assign ((resid 11 and name HB#)) ((resid 11 and name HN)) 2.85328 1.15328 1.14672 assign ((resid 40 and name HB1) OR (resid 29 and name HB1) OR (resid 25 and name HB2)) ((resid 41 and name HN) OR (resid 29 and name HN) OR (resid 29 and name HN)) 2.55856 0.858557 1.44144 assign ((resid 20 and name HB*)) ((resid 20 and name HN)) 3.33792 1.63792 0.91208 assign ((resid 20 and name HB*)) ((resid 20 and name HD2#)) 3.02872 1.32872 0.971277 assign ((resid 2 and name HB#)) ((resid 2 and name HN)) 2.93511 1.23511 1.06489 assign ((resid 11 and name HB*) OR (resid 11 and name HB*) OR (resid 8 and name HB*) OR (resid 8 and name HB*)) ((resid 8 and name HN) OR (resid 47 and name HN) OR (resid 8 and name HN) OR (resid 47 and name HN)) 2.7873 1.0873 1.2127 assign ((resid 11 and name HB*) OR (resid 8 and name HB*)) ((resid 8 and name HD+) OR (resid 8 and name HD+)) 2.43147 0.73147 0.76853 assign ((resid 11 and name HB*)) ((resid 12 and name HD#)) 3.47825 1.77825 0.771754 assign ((resid 23 and name HB1) OR (resid 11 and name HB*) OR (resid 8 and name HB*)) ((resid 23 and name HD2#) OR (resid 11 and name HN) OR (resid 11 and name HN)) 2.55002 0.850025 1.44998 assign ((resid 23 and name HB1) OR (resid 11 and name HB*) OR (resid 8 and name HB*)) ((resid 23 and name HD2#) OR (resid 11 and name HN) OR (resid 11 and name HN)) 2.83425 1.13425 1.16575 assign ((resid 23 and name HB1)) ((resid 24 and name HN)) 2.95906 1.25906 1.04094 assign ((resid 23 and name HB1)) ((resid 23 and name HN)) 2.76933 1.06933 3.01067 assign ((resid 54 and name HB*) OR (resid 15 and name HE#) OR (resid 15 and name HE#)) ((resid 54 and name HN) OR (resid 15 and name HN) OR (resid 16 and name HN)) 2.90318 1.20318 1.09682 assign ((resid 54 and name HB*)) ((resid 54 and name HD+)) 2.68302 0.983016 1.31698 assign ((resid 38 and name HB*)) ((resid 38 and name HN)) 3.0454 1.3454 0.954601 assign ((resid 38 and name HB*)) ((resid 39 and name HN)) 3.05813 1.35813 0.941871 assign ((resid 38 and name HB*)) ((resid 38 and name HD+)) 2.81522 1.11522 1.18478 assign ((resid 49 and name HB#)) ((resid 51 and name HE+)) 3.07044 1.37044 0.929564 assign ((resid 49 and name HB#)) ((resid 49 and name HA)) 3.10819 1.40819 0.891812 assign ((resid 44 and name HB1)) ((resid 44 and name HN)) 3.04818 1.34818 2.73182 assign ((resid 44 and name HB1)) ((resid 45 and name HN)) 3.16825 1.46825 0.831749 assign ((resid 44 and name HB1) OR (resid 49 and name HB#)) ((resid 44 and name HD2*) OR (resid 33 and name HN)) 3.20463 1.50463 2.57537 assign ((resid 44 and name HB1)) ((resid 44 and name HD2#)) 3.91481 2.21481 3.36519 assign ((resid 32 and name HB+)) ((resid 49 and name HB#)) 2.96438 1.26438 1.03562 assign ((resid 21 and name HG*) OR (resid 49 and name HB#)) ((resid 21 and name HE2*) OR (resid 34 and name HN)) 2.87483 1.17483 1.12517 assign ((resid 21 and name HG*)) ((resid 11 and name HH)) 3.12713 1.42713 0.872869 assign ((resid 2 and name HB*) OR (resid 2 and name HB*) OR (resid 49 and name HB#)) ((resid 3 and name HN) OR (resid 2 and name HN) OR (resid 49 and name HN)) 2.61638 0.916383 1.38362 assign ((resid 47 and name HB1) OR (resid 47 and name HB1)) ((resid 8 and name HN) OR (resid 47 and name HN)) 2.97809 1.27809 2.80191 assign ((resid 1 and name HB#) OR (resid 1 and name HB#) OR (resid 37 and name HB1) OR (resid 22 and name HB*) OR (resid 47 and name HB1)) ((resid 3 and name HN) OR (resid 2 and name HN) OR (resid 46 and name HN) OR (resid 22 and name HN) OR (resid 49 and name HN)) 2.59286 0.892861 1.40714 assign ((resid 22 and name HB*)) ((resid 23 and name HN)) 3.14685 1.44685 0.853154 assign ((resid 37 and name HB1) OR (resid 22 and name HB*) OR (resid 47 and name HB1)) ((resid 37 and name HA) OR (resid 37 and name HA) OR (resid 37 and name HA)) 2.74405 1.04405 1.25595 assign ((resid 33 and name HD#)) ((resid 33 and name HE)) 3.4656 1.7656 0.784397 assign ((resid 37 and name HB1)) ((resid 38 and name HN)) 3.21897 1.51897 0.781026 assign ((resid 37 and name HB1) OR (resid 22 and name HB*)) ((resid 37 and name HN) OR (resid 37 and name HN)) 3.0844 1.3844 2.6956 assign ((resid 45 and name HD*)) ((resid 37 and name HB1)) 3.4592 1.7592 0.790799 assign ((resid 45 and name HD#)) ((resid 37 and name HB1)) 3.11171 1.41171 0.888289 assign ((resid 21 and name HB*)) ((resid 21 and name HN)) 2.86917 1.16917 1.13083 assign ((resid 17 and name HG#)) ((resid 17 and name HN)) 2.93482 1.23482 1.06518 assign ((resid 17 and name HG#) OR (resid 21 and name HB*)) ((resid 17 and name HN) OR (resid 17 and name HN)) 3.16668 1.46668 0.833322 assign ((resid 9 and name HG+)) ((resid 10 and name HN)) 3.5659 1.8659 1.9341 assign ((resid 9 and name HG+)) ((resid 9 and name HN)) 2.94664 1.24664 1.05336 assign ((resid 30 and name HB2)) ((resid 30 and name HN)) 3.13665 1.43665 2.64335 assign ((resid 30 and name HB2)) ((resid 30 and name HA)) 3.19276 1.49276 2.58724 assign ((resid 41 and name HB#)) ((resid 41 and name HN)) 3.23727 1.53727 0.762734 assign ((resid 46 and name HB#)) ((resid 46 and name HE2#)) 2.90314 1.20314 1.09686 assign ((resid 46 and name HB#)) ((resid 46 and name HE2*)) 3.16468 1.46468 0.835317 ! ! manually added 7-41 ! 12/11/97 ! assign ((resid 7 and name HG1*) OR (resid 7 and name HG1*)) ((resid 41 and name HB#) OR (resid 46 and name HB#)) 3.65304 1.95304 1.84696 assign ((resid 48 and name HG2+) OR (resid 48 and name HG2+)) ((resid 50 and name HB*) OR (resid 46 and name HB#)) 3.23469 1.53469 0.765309 assign ((resid 50 and name HB*) OR (resid 46 and name HB#)) ((resid 49 and name HN) OR (resid 46 and name HN)) 3.28136 1.58136 0.968639 assign ((resid 50 and name HB*)) ((resid 50 and name HA)) 2.86824 1.16824 1.13176 assign ((resid 50 and name HB*)) ((resid 50 and name HN)) 3.09328 1.39328 0.906721 assign ((resid 33 and name HD*)) ((resid 33 and name HE)) 3.20154 1.50154 0.798465 assign ((resid 26 and name HB1)) ((resid 26 and name HN)) 3.13114 1.43114 2.64886 assign ((resid 26 and name HB1) OR (resid 26 and name HB1)) ((resid 32 and name HN) OR (resid 27 and name HN)) 2.9187 1.2187 1.0813 assign ((resid 21 and name HG#) OR (resid 17 and name HB1)) ((resid 17 and name HN) OR (resid 17 and name HN)) 3.05623 1.35623 2.72377 assign ((resid 21 and name HG#)) ((resid 11 and name HH)) 3.62124 1.92124 1.87876 assign ((resid 21 and name HG#)) ((resid 21 and name HE2*)) 3.09938 1.39938 0.900621 assign ((resid 13 and name HG*)) ((resid 13 and name HB)) 2.3199 0.619901 0.880099 assign ((resid 48 and name HB)) ((resid 38 and name HE+)) 3.22429 1.52429 0.775712 assign ((resid 48 and name HB)) ((resid 48 and name HN)) 2.96691 1.26691 1.03309 assign ((resid 48 and name HB)) ((resid 38 and name HD+)) 2.95106 1.25106 1.04894 assign ((resid 48 and name HG2+) OR (resid 48 and name HD1+)) ((resid 48 and name HB) OR (resid 48 and name HB)) 2.37729 0.677291 0.822709 assign ((resid 30 and name HE+)) ((resid 8 and name HD+)) 3.43591 1.73591 0.814091 assign ((resid 41 and name HB*)) ((resid 41 and name HN)) 2.61762 0.917624 1.38238 assign ((resid 9 and name HB#)) ((resid 9 and name HN)) 3.0325 1.3325 0.967498 assign ((resid 43 and name HB+) OR (resid 42 and name HB#)) ((resid 44 and name HD2#) OR (resid 44 and name HD2#)) 3.58409 1.88409 1.91591 assign ((resid 46 and name HG+) OR (resid 9 and name HB#)) ((resid 46 and name HE2#) OR (resid 11 and name HN)) 3.93928 2.23928 1.56072 assign ((resid 43 and name HB+) OR (resid 12 and name HB*) OR (resid 42 and name HB#)) ((resid 42 and name HN) OR (resid 13 and name HN) OR (resid 42 and name HN)) 2.7766 1.0766 1.2234 assign ((resid 46 and name HG+) OR (resid 46 and name HG+)) ((resid 8 and name HN) OR (resid 47 and name HN)) 2.9539 1.2539 1.0461 assign ((resid 21 and name HB#)) ((resid 21 and name HN)) 2.76227 1.06227 1.23773 assign ((resid 7 and name HB)) ((resid 7 and name HN)) 2.61135 0.911351 1.38865 assign ((resid 7 and name HG1*)) ((resid 7 and name HB)) 2.49331 0.793314 0.706686 assign ((resid 36 and name HB#)) ((resid 37 and name HN)) 2.6981 0.998099 1.3019 ! ! added 7-38 manually ! 10/9/97 ! assign ((resid 36 and name HB#) OR (resid 7 and name HB#) OR (resid 21 and name HB#)) ((resid 38 and name HE+) OR (resid 38 and name HE+) OR (resid 18 and name HN)) 2.93256 1.23256 1.06744 assign ((resid 36 and name HB#) OR (resid 21 and name HB#)) ((resid 38 and name HD+) OR (resid 24 and name HD+)) 3.26093 1.56093 0.989066 ! ! added manually 7-38 ! 10/9/97 ! assign ((resid 7 and name HB#) OR (resid 36 and name HB#) OR (resid 21 and name HB#)) ((resid 38 and name HZ) OR (resid 38 and name HZ) OR (resid 24 and name HD+)) 3.1019 1.4019 0.898095 assign ((resid 53 and name HB#) OR (resid 17 and name HB2)) ((resid 54 and name HN) OR (resid 16 and name HN)) 3.09913 1.39913 0.900867 assign ((resid 17 and name HB2)) ((resid 17 and name HN)) 2.79206 1.09206 1.20794 assign ((resid 9 and name HB*)) ((resid 9 and name HN)) 2.82663 1.12663 1.17337 assign ((resid 9 and name HB*)) ((resid 10 and name HN)) 3.52589 1.82589 1.97411 assign ((resid 53 and name HB#)) ((resid 53 and name HN)) 3.36194 1.66194 0.888057 assign ((resid 18 and name HB2)) ((resid 19 and name HN)) 3.77646 2.07646 3.50354 assign ((resid 18 and name HB2)) ((resid 18 and name HN)) 3.19648 1.49648 2.58352 assign ((resid 15 and name HB#)) ((resid 11 and name HH)) 3.93665 2.23665 1.56335 assign ((resid 15 and name HB#) OR (resid 15 and name HB#)) ((resid 15 and name HN) OR (resid 16 and name HN)) 3.23295 1.53295 0.767046 assign ((resid 6 and name HB#)) ((resid 51 and name HE+)) 2.98729 1.28729 1.01271 assign ((resid 6 and name HB#) OR (resid 3 and name HB#)) ((resid 5 and name HN) OR (resid 5 and name HN)) 4.18481 2.48481 1.31519 assign ((resid 6 and name HB#)) ((resid 7 and name HN)) 3.572 1.872 1.928 assign ((resid 46 and name HB*) OR (resid 6 and name HB#) OR (resid 3 and name HB#) OR (resid 3 and name HB#) OR (resid 15 and name HB#)) ((resid 46 and name HN) OR (resid 49 and name HN) OR (resid 3 and name HN) OR (resid 2 and name HN) OR (resid 14 and name HN)) 2.83715 1.13715 1.16285 assign ((resid 46 and name HB*) OR (resid 46 and name HB*)) ((resid 8 and name HN) OR (resid 47 and name HN)) 3.54866 1.84866 1.95134 assign ((resid 15 and name HB*) OR (resid 15 and name HB*)) ((resid 15 and name HN) OR (resid 16 and name HN)) 2.89483 1.19483 1.10517 assign ((resid 36 and name HB*)) ((resid 37 and name HN)) 3.54174 1.84174 1.95826 assign ((resid 6 and name HB*) OR (resid 36 and name HB*)) ((resid 51 and name HD+) OR (resid 38 and name HE+)) 2.88356 1.18356 1.11644 assign ((resid 42 and name HB*) OR (resid 36 and name HB*)) ((resid 44 and name HD2*) OR (resid 36 and name HN)) 3.16114 1.46114 0.838856 assign ((resid 6 and name HB*)) ((resid 6 and name HN)) 3.20254 1.50254 0.797462 assign ((resid 6 and name HB*)) ((resid 51 and name HE+)) 2.74914 1.04914 1.25086 assign ((resid 42 and name HB*)) ((resid 42 and name HN)) 2.85091 1.15091 1.14909 assign ((resid 42 and name HB*)) ((resid 44 and name HD2#)) 3.59438 1.89438 1.90562 assign ((resid 5 and name HB+) OR (resid 3 and name HB*) OR (resid 3 and name HB*)) ((resid 49 and name HN) OR (resid 3 and name HN) OR (resid 2 and name HN)) 2.80734 1.10734 1.19266 assign ((resid 5 and name HB+) OR (resid 3 and name HB*)) ((resid 5 and name HN) OR (resid 5 and name HN)) 2.90901 1.20901 1.09099 assign ((resid 53 and name HB*)) ((resid 53 and name HN)) 3.0466 1.3466 0.953405 ! ! manually added 12-16 restraints ! 12/11/97 ! manually added 53-54 restraint ! 12/15/97 ! assign ((resid 53 and name HB*) OR (resid 12 and name HB#) OR (resid 12 and name HG*) OR (resid 12 and name HB#) OR (resid 12 and name HG*)) ((resid 54 and name HN) OR (resid 16 and name HN) OR (resid 16 and name HN) OR (resid 15 and name HN) OR (resid 15 and name HN)) 3.08506 1.38506 0.914944 assign ((resid 5 and name HB+)) ((resid 5 and name HA)) 2.94474 1.24474 1.05526 assign ((resid 27 and name HB1)) ((resid 27 and name HN)) 2.66284 0.962839 1.33716 assign ((resid 18 and name HG)) ((resid 18 and name HN)) 2.96677 1.26677 1.03323 assign ((resid 47 and name HB2) OR (resid 47 and name HB2)) ((resid 8 and name HN) OR (resid 47 and name HN)) 2.80091 1.10091 1.19909 assign ((resid 28 and name HB#) OR (resid 42 and name HD*) OR (resid 27 and name HB1) OR (resid 42 and name HD#)) ((resid 28 and name HN) OR (resid 44 and name HD2*) OR (resid 28 and name HN) OR (resid 44 and name HD2*)) 2.55579 0.855792 1.44421 assign ((resid 28 and name HB#)) ((resid 29 and name HN)) 2.8714 1.1714 1.1286 assign ((resid 48 and name HG1#)) ((resid 48 and name HN)) 3.20285 1.50285 0.797153 assign ((resid 48 and name HG1#)) ((resid 38 and name HD+)) 3.11718 1.41718 0.882825 assign ((resid 28 and name HG)) ((resid 28 and name HN)) 3.90081 2.20081 1.59919 assign ((resid 28 and name HG)) ((resid 28 and name HA)) 3.29672 1.59672 0.95328 assign ((resid 18 and name HB1)) ((resid 18 and name HN)) 3.11348 1.41348 2.66652 assign ((resid 18 and name HB1)) ((resid 19 and name HN)) 3.47032 1.77032 0.779677 assign ((resid 43 and name HG#)) ((resid 43 and name HA)) 3.4504 1.7504 0.799598 assign ((resid 45 and name HB#) OR (resid 43 and name HG#) OR (resid 27 and name HD*)) ((resid 39 and name HD+) OR (resid 39 and name HD+) OR (resid 23 and name HD2*)) 3.35057 1.65057 0.899425 assign ((resid 45 and name HB#)) ((resid 45 and name HN)) 2.88497 1.18497 1.11503 assign ((resid 45 and name HD*)) ((resid 45 and name HB#)) 2.81157 1.11157 1.18843 assign ((resid 45 and name HD#)) ((resid 45 and name HB#)) 3.0995 1.3995 0.900498 assign ((resid 5 and name HD#)) ((resid 5 and name HA)) 2.55227 0.852273 1.44773 assign ((resid 5 and name HD#)) ((resid 5 and name HN)) 2.94188 1.24188 1.05812 assign ((resid 28 and name HB*)) ((resid 24 and name HE+)) 2.98545 1.28545 1.01455 assign ((resid 43 and name HG*)) ((resid 43 and name HA)) 2.93364 1.23364 1.06636 assign ((resid 28 and name HB*) OR (resid 42 and name HG#) OR (resid 33 and name HG#)) ((resid 28 and name HN) OR (resid 44 and name HD2*) OR (resid 33 and name HN)) 2.42572 0.725722 0.774278 assign ((resid 32 and name HB+)) ((resid 33 and name HB#)) 3.19215 1.49215 0.807848 assign ((resid 33 and name HB#) OR (resid 28 and name HB*) OR (resid 33 and name HG#)) ((resid 33 and name HE) OR (resid 31 and name HN) OR (resid 33 and name HE)) 3.07856 1.37856 0.921436 assign ((resid 27 and name HB2) OR (resid 27 and name HB2) OR (resid 28 and name HB*)) ((resid 32 and name HN) OR (resid 27 and name HN) OR (resid 27 and name HN)) 2.89827 1.19827 2.88173 assign ((resid 19 and name HB+)) ((resid 20 and name HN)) 3.00696 1.30696 0.993037 assign ((resid 19 and name HB+)) ((resid 19 and name HN)) 2.5671 0.867096 1.4329 assign ((resid 19 and name HB+)) ((resid 18 and name HA)) 3.58104 1.88104 1.91896 assign ((resid 19 and name HB+)) ((resid 20 and name HD2*)) 3.65792 1.95792 1.84208 assign ((resid 42 and name HG*)) ((resid 42 and name HN)) 3.33617 1.63617 0.913832 assign ((resid 6 and name HG+)) ((resid 51 and name HE+)) 3.39519 1.69519 0.854812 assign ((resid 5 and name HG*)) ((resid 5 and name HA)) 2.7861 1.0861 1.2139 assign ((resid 45 and name HB*) OR (resid 45 and name HG)) ((resid 39 and name HE+) OR (resid 39 and name HE+)) 2.98701 1.28701 1.01299 assign ((resid 45 and name HB*) OR (resid 45 and name HG)) ((resid 45 and name HN) OR (resid 45 and name HN)) 2.62606 0.926058 1.37394 assign ((resid 33 and name HG*)) ((resid 33 and name HE)) 3.04275 1.34275 0.957255 assign ((resid 45 and name HD#) OR (resid 45 and name HD#)) ((resid 45 and name HB*) OR (resid 45 and name HG)) 2.45337 0.753375 0.746625 assign ((resid 33 and name HG*)) ((resid 33 and name HN)) 3.07003 1.37003 0.929966 assign ((resid 45 and name HD*) OR (resid 45 and name HD*)) ((resid 45 and name HB*) OR (resid 45 and name HG)) 2.4545 0.754501 0.745499 assign ((resid 30 and name HG*) OR (resid 30 and name HD*)) ((resid 8 and name HD+) OR (resid 8 and name HD+)) 3.26076 1.56076 0.989241 assign ((resid 30 and name HG*) OR (resid 30 and name HD*)) ((resid 30 and name HN) OR (resid 30 and name HN)) 3.16433 1.46433 0.835672 assign ((resid 15 and name HG#) OR (resid 15 and name HG#)) ((resid 15 and name HN) OR (resid 16 and name HN)) 3.29966 1.59966 0.950338 assign ((resid 48 and name HG1*)) ((resid 38 and name HD+)) 3.52893 1.82893 1.97107 assign ((resid 27 and name HG+) OR (resid 27 and name HG+)) ((resid 32 and name HN) OR (resid 27 and name HN)) 3.23718 1.53718 0.762817 assign ((resid 13 and name HG*)) ((resid 47 and name HN)) 3.7423 2.0423 1.7577 assign ((resid 45 and name HD#)) ((resid 13 and name HG*)) 3.56672 1.86672 1.93328 assign ((resid 45 and name HD*) OR (resid 45 and name HD*)) ((resid 13 and name HG#) OR (resid 13 and name HG*)) 3.14773 1.44773 0.852265 assign ((resid 13 and name HG#) OR (resid 13 and name HG#) OR (resid 13 and name HG*) OR (resid 13 and name HG*)) ((resid 46 and name HN) OR (resid 14 and name HN) OR (resid 46 and name HN) OR (resid 14 and name HN)) 2.98009 1.28009 1.01991 assign ((resid 13 and name HG*)) ((resid 13 and name HN)) 2.5546 0.854599 1.4454 assign ((resid 13 and name HG#) OR (resid 13 and name HG*)) ((resid 15 and name HN) OR (resid 15 and name HN)) 3.87764 2.17764 1.62236 assign ((resid 13 and name HG#) OR (resid 13 and name HG*)) ((resid 45 and name HN) OR (resid 45 and name HN)) 3.80307 2.10307 1.69693 assign ((resid 7 and name HG1*)) ((resid 8 and name HN)) 3.45406 1.75406 0.79594 assign ((resid 7 and name HG1*)) ((resid 46 and name HE2#)) 4.02933 2.32933 1.47067 assign ((resid 7 and name HG1*)) ((resid 46 and name HE2*)) 3.62069 1.92069 1.87931 assign ((resid 7 and name HG2*)) ((resid 48 and name HA)) 3.63793 1.93793 1.86207 assign ((resid 7 and name HG2*)) ((resid 8 and name HN)) 3.0441 1.3441 0.955903 assign ((resid 7 and name HG2*)) ((resid 7 and name HN)) 3.38723 1.68723 0.862769 assign ((resid 18 and name HD#)) ((resid 19 and name HN)) 3.36379 1.66379 0.886209 assign ((resid 18 and name HD#)) ((resid 19 and name HN)) 3.36379 1.66379 0.886209 assign ((resid 48 and name HG2+) OR (resid 48 and name HD1+)) ((resid 48 and name HN) OR (resid 48 and name HN)) 3.47701 1.77701 0.772991 assign ((resid 48 and name HG2+) OR (resid 48 and name HG2+) OR (resid 48 and name HD1+) OR (resid 48 and name HD1+)) ((resid 46 and name HN) OR (resid 49 and name HN) OR (resid 46 and name HN) OR (resid 49 and name HN)) 2.95831 1.25831 1.04169 assign ((resid 48 and name HG2+) OR (resid 48 and name HD1+)) ((resid 38 and name HE+) OR (resid 38 and name HE+)) 3.28986 1.58986 0.960137 assign ((resid 48 and name HG2+)) ((resid 5 and name HA)) 3.14952 1.44952 0.850482 assign ((resid 48 and name HG2+) OR (resid 48 and name HD1+)) ((resid 6 and name HN) OR (resid 6 and name HN)) 3.03414 1.33414 0.96586 assign ((resid 48 and name HG2+) OR (resid 48 and name HD1+)) ((resid 38 and name HD+) OR (resid 38 and name HD+)) 2.90345 1.20345 1.09655 assign ((resid 32 and name HB+)) ((resid 26 and name HN)) 4.19087 2.49087 1.30913 assign ((resid 32 and name HB+)) ((resid 33 and name HN)) 2.80022 1.10022 1.19978 assign ((resid 32 and name HB+) OR (resid 32 and name HB+)) ((resid 32 and name HN) OR (resid 27 and name HN)) 2.71114 1.01114 1.28886 assign ((resid 32 and name HB+)) ((resid 51 and name HD+)) 3.39449 1.69449 0.855509 assign ((resid 32 and name HB+)) ((resid 31 and name HN)) 3.94457 2.24457 1.55543 assign ((resid 45 and name HD*)) ((resid 45 and name HN)) 3.6917 1.9917 1.8083 assign ((resid 45 and name HD*)) ((resid 39 and name HD+)) 3.65792 1.95792 1.84208 assign ((resid 45 and name HD*)) ((resid 39 and name HE+)) 3.39507 1.69507 0.854929 assign ((resid 45 and name HD*) OR (resid 45 and name HD*)) ((resid 37 and name HN) OR (resid 39 and name HN)) 4.2534 2.5534 1.2466 assign ((resid 45 and name HD#)) ((resid 38 and name HN)) 3.67222 1.97222 1.82778 assign ((resid 45 and name HD#) OR (resid 45 and name HD#)) ((resid 37 and name HN) OR (resid 39 and name HN)) 3.9237 2.2237 1.5763 assign ((resid 45 and name HD#)) ((resid 45 and name HN)) 3.68156 1.98156 1.81844 assign ((resid 45 and name HD#) OR (resid 45 and name HD#)) ((resid 46 and name HN) OR (resid 14 and name HN)) 3.27554 1.57554 0.974463 assign ((resid 45 and name HD#)) ((resid 39 and name HD+)) 3.59127 1.89127 1.90873 assign ((resid 45 and name HD#)) ((resid 39 and name HE+)) 3.4066 1.7066 0.843401 assign ((resid 29 and name HB2)) ((resid 29 and name HA)) 2.65866 0.95866 3.12134 assign ((resid 12 and name HA)) ((resid 14 and name HN)) 3.936 2.236 1.564 assign ((resid 13 and name HB)) ((resid 12 and name HA)) 3.6273 1.9273 1.8727 assign ((resid 8 and name HA)) ((resid 8 and name HE+)) 3.51082 1.81082 1.98918 assign ((resid 30 and name HE+)) ((resid 8 and name HA)) 3.15117 1.45117 0.84883 assign ((resid 7 and name HG2*)) ((resid 8 and name HA)) 3.55424 1.85424 1.94576 assign ((resid 10 and name HA)) ((resid 10 and name HD2*)) 4.45002 2.75002 1.04998 assign ((resid 1 and name HB*)) ((resid 1 and name HA)) 3.4559 1.7559 0.7941 assign ((resid 25 and name HB1) OR (resid 24 and name HB#)) ((resid 22 and name HA) OR (resid 22 and name HA)) 3.39799 1.69799 2.63201 assign ((resid 53 and name HA)) ((resid 53 and name HN)) 3.12596 1.42596 0.874044 assign ((resid 53 and name HA)) ((resid 53 and name HN)) 3.12596 1.42596 0.874044 assign ((resid 51 and name HB2)) ((resid 51 and name HA)) 2.85753 1.15753 1.14247 assign ((resid 32 and name HB+)) ((resid 51 and name HA)) 3.4349 1.7349 0.815101 assign ((resid 51 and name HA)) ((resid 33 and name HN)) 2.63411 0.934115 1.36589 assign ((resid 45 and name HB#)) ((resid 45 and name HA)) 2.87698 1.17698 1.12302 assign ((resid 11 and name HA) OR (resid 9 and name HA)) ((resid 8 and name HD+) OR (resid 8 and name HD+)) 3.06172 1.36172 0.938277 assign ((resid 45 and name HA)) ((resid 39 and name HD+)) 3.31358 1.61358 0.936424 assign ((resid 26 and name HA)) ((resid 26 and name HN)) 3.23486 1.53486 0.765144 assign ((resid 32 and name HA)) ((resid 33 and name HN)) 2.64943 0.949432 1.35057 assign ((resid 15 and name HB*)) ((resid 15 and name HA)) 3.24993 1.54993 0.750067 assign ((resid 35 and name HA#) OR (resid 35 and name HA#)) ((resid 35 and name HN) OR (resid 48 and name HN)) 3.33391 1.63391 0.916089 assign ((resid 35 and name HA#)) ((resid 36 and name HN)) 3.10957 1.40957 0.890431 assign ((resid 35 and name HA#)) ((resid 36 and name HN)) 3.49306 1.79306 0.756939 assign ((resid 23 and name HA)) ((resid 35 and name HA#)) 3.65207 1.95207 1.84793 assign ((resid 46 and name HB*) OR (resid 6 and name HB#)) ((resid 7 and name HA) OR (resid 7 and name HA)) 4.20734 2.50734 1.29266 assign ((resid 23 and name HB1) OR (resid 8 and name HB*)) ((resid 34 and name HB*) OR (resid 7 and name HA)) 3.1431 1.4431 0.856896 assign ((resid 34 and name HB*)) ((resid 34 and name HN)) 3.66008 1.96008 1.83992 assign ((resid 48 and name HG1#)) ((resid 7 and name HA)) 3.65227 1.95227 1.84773 assign ((resid 24 and name HA) OR (resid 24 and name HA)) ((resid 27 and name HN) OR (resid 21 and name HN)) 4.0826 2.3826 1.4174 assign ((resid 14 and name HB#) OR (resid 21 and name HA)) ((resid 14 and name HN) OR (resid 22 and name HN)) 2.7102 1.0102 1.2898 assign ((resid 21 and name HA)) ((resid 21 and name HE2#)) 3.54519 1.84519 1.95481 assign ((resid 21 and name HG*)) ((resid 21 and name HA)) 3.39624 1.69624 0.853765 assign ((resid 23 and name HA) OR (resid 21 and name HA)) ((resid 24 and name HN) OR (resid 24 and name HN)) 3.19238 1.49238 0.807621 assign ((resid 21 and name HG#) OR (resid 26 and name HB1)) ((resid 21 and name HA) OR (resid 23 and name HA)) 3.2867 1.5867 2.7433 assign ((resid 23 and name HA) OR (resid 21 and name HA)) ((resid 23 and name HN) OR (resid 23 and name HN)) 2.99675 1.29675 1.00325 assign ((resid 37 and name HB2)) ((resid 38 and name HN)) 3.5303 1.8303 3.7497 assign ((resid 12 and name HD#)) ((resid 11 and name HN)) 3.94291 2.24291 1.55709 assign ((resid 31 and name HB*)) ((resid 31 and name HD2)) 4.16213 2.46213 1.33787 assign ((resid 40 and name HB2)) ((resid 40 and name HN)) 3.90948 2.20948 1.59052 assign ((resid 25 and name HB1)) ((resid 8 and name HD+)) 3.95193 2.25193 3.32807 assign ((resid 24 and name HB*) OR (resid 38 and name HB#) OR (resid 54 and name HB#)) ((resid 20 and name HD2*) OR (resid 38 and name HZ) OR (resid 54 and name HD+)) 2.76244 1.06244 1.23756 assign ((resid 24 and name HB*)) ((resid 25 and name HN)) 3.09382 1.39382 0.906175 assign ((resid 29 and name HB1) OR (resid 25 and name HB2) OR (resid 11 and name HB#) OR (resid 22 and name HB#)) ((resid 25 and name HN) OR (resid 25 and name HN) OR (resid 9 and name HN) OR (resid 25 and name HN)) 2.99889 1.29889 1.00111 assign ((resid 29 and name HB1) OR (resid 25 and name HB2) OR (resid 11 and name HB#)) ((resid 8 and name HE+) OR (resid 8 and name HE+) OR (resid 8 and name HE+)) 2.65484 0.954837 1.34516 assign ((resid 54 and name HB*) OR (resid 23 and name HB1) OR (resid 8 and name HB*)) ((resid 53 and name HA) OR (resid 22 and name HA) OR (resid 48 and name HA)) 3.15721 1.45721 2.62279 assign ((resid 44 and name HB1)) ((resid 46 and name HE2#)) 4.01712 2.31712 3.26288 assign ((resid 21 and name HG*) OR (resid 44 and name HB1)) ((resid 21 and name HE2#) OR (resid 46 and name HE2*)) 3.05335 1.35335 0.946654 assign ((resid 37 and name HB1) OR (resid 22 and name HB*) OR (resid 47 and name HB1)) ((resid 48 and name HN) OR (resid 48 and name HN) OR (resid 48 and name HN)) 3.63907 1.93907 1.86093 assign ((resid 41 and name HG+)) ((resid 41 and name HN)) 3.88625 2.18625 1.61375 assign ((resid 9 and name HG+)) ((resid 8 and name HD+)) 4.25963 2.55963 1.24037 assign ((resid 7 and name HG1*)) ((resid 9 and name HG+)) 4.75743 3.05743 1.11757 assign ((resid 30 and name HB1) OR (resid 26 and name HB1)) ((resid 51 and name HE+) OR (resid 51 and name HE+)) 3.42926 1.72926 0.820744 assign ((resid 48 and name HB)) ((resid 36 and name HN)) 4.0367 2.3367 1.4633 assign ((resid 41 and name HB*)) ((resid 42 and name HN)) 3.51303 1.81303 1.98697 assign ((resid 53 and name HB#) OR (resid 53 and name HB#) OR (resid 9 and name HB*) OR (resid 36 and name HB#)) ((resid 34 and name HB#) OR (resid 54 and name HA) OR (resid 9 and name HA) OR (resid 34 and name HB#)) 2.81173 1.11173 1.18827 assign ((resid 6 and name HB#)) ((resid 6 and name HN)) 3.73978 2.03978 1.76022 assign ((resid 3 and name HB#)) ((resid 4 and name HN)) 4.24668 2.54668 1.25332 assign ((resid 46 and name HB*)) ((resid 46 and name HE2#)) 4.31808 2.61808 1.18192 assign ((resid 36 and name HB*)) ((resid 38 and name HD+)) 3.75816 2.05816 1.74184 assign ((resid 36 and name HB*)) ((resid 38 and name HZ)) 3.57233 1.87233 1.92767 assign ((resid 42 and name HB*) OR (resid 36 and name HB*) OR (resid 36 and name HB*)) ((resid 44 and name HN) OR (resid 35 and name HN) OR (resid 48 and name HN)) 3.72936 2.02936 1.77064 assign ((resid 6 and name HB*)) ((resid 7 and name HN)) 3.82834 2.12834 1.67166 assign ((resid 42 and name HB*)) ((resid 43 and name HN)) 3.99383 2.29383 1.50617 assign ((resid 5 and name HB+) OR (resid 3 and name HB*)) ((resid 4 and name HN) OR (resid 4 and name HN)) 3.90204 2.20204 1.59796 assign ((resid 12 and name HB#) OR (resid 12 and name HB#) OR (resid 12 and name HB#)) ((resid 13 and name HA) OR (resid 14 and name HB*) OR (resid 14 and name HB#)) 3.63831 1.93831 1.86169 assign ((resid 12 and name HB#) OR (resid 12 and name HG*)) ((resid 13 and name HN) OR (resid 13 and name HN)) 3.53676 1.83676 1.96324 assign ((resid 28 and name HG)) ((resid 29 and name HA)) 3.66621 1.96621 1.83379 assign ((resid 43 and name HG#)) ((resid 43 and name HE)) 3.57483 1.87483 1.92517 ! ! manually added 6-6 ! 12/15/97 ! assign ((resid 6 and name HD#) OR (resid 5 and name HD#)) ((resid 6 and name HN) OR (resid 6 and name HN)) 2.84298 1.14298 1.15702 assign ((resid 19 and name HB+)) ((resid 20 and name HD2#)) 3.85625 2.15625 1.64375 assign ((resid 5 and name HG#) OR (resid 6 and name HG+)) ((resid 5 and name HA) OR (resid 5 and name HA)) 3.33422 1.63422 0.915782 assign ((resid 45 and name HB*) OR (resid 45 and name HG)) ((resid 39 and name HD+) OR (resid 39 and name HD+)) 3.38632 1.68632 0.863683 assign ((resid 33 and name HG*) OR (resid 33 and name HB*)) ((resid 34 and name HN) OR (resid 34 and name HN)) 3.24111 1.54111 0.758886 assign ((resid 48 and name HG1*)) ((resid 48 and name HN)) 3.54866 1.84866 1.95134 assign ((resid 45 and name HD*)) ((resid 16 and name HN)) 4.22912 2.52912 1.27088 assign ((resid 45 and name HD*) OR (resid 45 and name HD*)) ((resid 46 and name HN) OR (resid 14 and name HN)) 3.78262 2.08262 1.71738 assign ((resid 22 and name HB#)) ((resid 36 and name HA)) 3.50701 1.80701 1.99299 assign ((resid 11 and name HB#) OR (resid 11 and name HB#) OR (resid 39 and name HB+)) ((resid 11 and name HA) OR (resid 9 and name HA) OR (resid 45 and name HA)) 2.84689 1.14689 1.15311 assign ((resid 23 and name HA) OR (resid 21 and name HA)) ((resid 34 and name HN) OR (resid 21 and name HE2*)) 3.7901 2.0901 1.7099 assign ((resid 52 and name HB1)) ((resid 54 and name HN)) 4.35882 2.65882 1.14118 assign ((resid 24 and name HB*)) ((resid 25 and name HN)) 3.30628 1.60628 0.943722 assign ((resid 38 and name HB#)) ((resid 38 and name HN)) 3.53429 1.83429 1.96571 assign ((resid 54 and name HB*) OR (resid 11 and name HB*) OR (resid 8 and name HB*)) ((resid 54 and name HE+) OR (resid 8 and name HE+) OR (resid 8 and name HE+)) 3.05707 1.35707 0.942932 assign ((resid 1 and name HG+)) ((resid 1 and name HN)) 4.27811 2.57811 1.22189 assign ((resid 17 and name HG#) OR (resid 21 and name HB*)) ((resid 16 and name HN) OR (resid 16 and name HN)) 3.89866 2.19866 1.60134 assign ((resid 13 and name HB)) ((resid 14 and name HN)) 3.27981 1.57981 0.970193 assign ((resid 28 and name HG)) ((resid 29 and name HN)) 4.39246 2.69246 1.10754 assign ((resid 45 and name HB#) OR (resid 43 and name HG#)) ((resid 39 and name HE+) OR (resid 39 and name HE+)) 3.41719 1.71719 0.832813 assign ((resid 45 and name HD*)) ((resid 38 and name HN)) 4.35482 2.65482 1.14518 assign ((resid 21 and name HE2*)) ((resid 11 and name HH)) 3.97424 2.27424 1.52576 assign ((resid 51 and name HD+)) ((resid 51 and name HN)) 2.89134 1.19134 1.10866 assign ((resid 11 and name HN)) ((resid 10 and name HN)) 3.04453 1.34453 0.95547 assign ((resid 27 and name HN) OR (resid 10 and name HD2*)) ((resid 26 and name HN) OR (resid 10 and name HN)) 3.12452 1.42452 0.875476 assign ((resid 25 and name HN) OR (resid 9 and name HN)) ((resid 26 and name HN) OR (resid 10 and name HN)) 3.14541 1.44541 0.854587 assign ((resid 8 and name HD+) OR (resid 8 and name HD+)) ((resid 8 and name HN) OR (resid 47 and name HN)) 3.52197 1.82197 1.97803 assign ((resid 19 and name HN)) ((resid 20 and name HN)) 3.87178 2.17178 1.62822 assign ((resid 21 and name HN)) ((resid 20 and name HN)) 3.17693 1.47693 0.82307 assign ((resid 8 and name HD+)) ((resid 9 and name HN)) 3.20331 1.50331 0.796689 assign ((resid 24 and name HN)) ((resid 25 and name HN)) 3.30377 1.60377 0.946226 assign ((resid 46 and name HN)) ((resid 38 and name HN)) 3.35612 1.65612 0.893882 assign ((resid 37 and name HA)) ((resid 38 and name HN)) 2.55015 0.85015 1.44985 assign ((resid 42 and name HN)) ((resid 41 and name HN)) 3.06952 1.36952 0.930483 assign ((resid 28 and name HN)) ((resid 29 and name HN)) 3.13959 1.43959 0.860406 assign ((resid 30 and name HN)) ((resid 29 and name HN)) 2.89361 1.19361 1.10639 assign ((resid 7 and name HN)) ((resid 8 and name HN)) 4.91317 3.21317 0.961835 assign ((resid 38 and name HD+)) ((resid 39 and name HN)) 3.64001 1.94001 1.85999 assign ((resid 39 and name HD+)) ((resid 39 and name HN)) 3.07827 1.37827 0.921729 assign ((resid 37 and name HA)) ((resid 37 and name HN)) 3.28118 1.58118 0.968822 assign ((resid 43 and name HN)) ((resid 44 and name HN)) 2.9588 1.2588 1.0412 assign ((resid 37 and name HA)) ((resid 48 and name HN)) 3.16847 1.46847 0.831534 assign ((resid 31 and name HD2)) ((resid 31 and name HE1)) 4.83851 3.13851 1.03649 assign ((resid 5 and name HN)) ((resid 4 and name HN)) 2.8975 1.1975 1.1025 assign ((resid 13 and name HN)) ((resid 14 and name HN)) 3.36905 1.66905 0.880951 assign ((resid 15 and name HN) OR (resid 16 and name HN)) ((resid 14 and name HN) OR (resid 14 and name HN)) 3.07448 1.37448 0.925519 assign ((resid 54 and name HN)) ((resid 53 and name HN)) 3.99455 2.29455 1.50545 assign ((resid 42 and name HN)) ((resid 43 and name HN)) 2.62648 0.926482 1.37352 assign ((resid 44 and name HD2*) OR (resid 36 and name HN) OR (resid 36 and name HN)) ((resid 44 and name HN) OR (resid 35 and name HN) OR (resid 48 and name HN)) 3.06866 1.36866 0.931343 assign ((resid 34 and name HN)) ((resid 33 and name HN)) 2.93473 1.23473 1.06527 assign ((resid 38 and name HE+) OR (resid 51 and name HD+)) ((resid 36 and name HN) OR (resid 33 and name HN)) 3.59248 1.89248 1.90752 assign ((resid 49 and name HA) OR (resid 49 and name HA)) ((resid 36 and name HN) OR (resid 33 and name HN)) 3.56508 1.86508 1.93492 assign ((resid 44 and name HD2#)) ((resid 44 and name HD2*)) 2.22556 0.525561 0.774439 assign ((resid 32 and name HN) OR (resid 27 and name HN)) ((resid 28 and name HN) OR (resid 28 and name HN)) 3.10644 1.40644 0.893563 assign ((resid 23 and name HD2#)) ((resid 24 and name HN)) 4.16601 2.46601 1.33399 assign ((resid 24 and name HD+)) ((resid 24 and name HN)) 3.43013 1.73013 0.81987 assign ((resid 42 and name HN)) ((resid 44 and name HN)) 3.23793 1.53793 0.762067 assign ((resid 23 and name HN)) ((resid 22 and name HN)) 3.21849 1.51849 0.781507 assign ((resid 24 and name HD+)) ((resid 21 and name HE2*)) 3.55041 1.85041 1.94959 assign ((resid 21 and name HE2#)) ((resid 21 and name HE2*)) 2.3107 0.610699 0.889301 assign ((resid 1 and name HN)) ((resid 2 and name HN)) 4.12966 2.42966 1.37034 assign ((resid 17 and name HN)) ((resid 16 and name HN)) 2.94341 1.24341 1.05659 assign ((resid 54 and name HD+)) ((resid 54 and name HN)) 3.06923 1.36923 0.93077 assign ((resid 20 and name HD2*)) ((resid 20 and name HD2#)) 2.20781 0.507808 0.792192 assign ((resid 10 and name HD2#)) ((resid 10 and name HD2*)) 2.16416 0.464159 0.835841 assign ((resid 21 and name HN)) ((resid 22 and name HN)) 3.2309 1.5309 0.769104 assign ((resid 23 and name HD2*) OR (resid 8 and name HD+)) ((resid 23 and name HD2#) OR (resid 11 and name HN)) 2.26197 0.561966 0.738034 assign ((resid 46 and name HE2*)) ((resid 46 and name HE2#)) 2.18734 0.487337 0.812663 assign ((resid 51 and name HE+)) ((resid 51 and name HD+)) 2.12353 0.423528 0.876472 assign ((resid 38 and name HD+)) ((resid 38 and name HE+)) 2.0212 0.321201 0.978799 assign ((resid 37 and name HA)) ((resid 38 and name HD+)) 3.78262 2.08262 1.71738 assign ((resid 24 and name HE+)) ((resid 24 and name HD+)) 1.89628 0.196281 1.10372 assign ((resid 38 and name HZ)) ((resid 38 and name HE+)) 2.41353 0.713532 0.786468 assign ((resid 31 and name HN)) ((resid 29 and name HN)) 3.7031 2.0031 1.7969 assign ((resid 25 and name HN)) ((resid 11 and name HH)) 4.17633 2.47633 1.32367 assign ((resid 8 and name HD+) OR (resid 8 and name HD+)) ((resid 26 and name HN) OR (resid 10 and name HN)) 3.87853 2.17853 1.62147 ! make sure 8 HE+, 9 HN present assign ((resid 8 and name HE+) OR (resid 8 and name HE+) OR (resid 24 and name HE+)) ((resid 25 and name HN) OR (resid 9 and name HN) OR (resid 25 and name HN)) 3.49023 1.79023 0.759768 assign ((resid 51 and name HD+)) ((resid 6 and name HN)) 3.43705 1.73705 0.812952 assign ((resid 18 and name HN)) ((resid 19 and name HN)) 3.8023 2.1023 1.6977 assign ((resid 39 and name HD+)) ((resid 43 and name HN)) 3.35708 1.65708 0.892916 assign ((resid 30 and name HN) OR (resid 30 and name HN)) ((resid 32 and name HN) OR (resid 27 and name HN)) 3.78935 2.08935 1.71065 assign ((resid 31 and name HN)) ((resid 32 and name HN)) 2.92594 1.22594 1.07406 assign ((resid 38 and name HD+)) ((resid 48 and name HN)) 3.9697 2.2697 1.5303 assign ((resid 21 and name HE2#)) ((resid 24 and name HD+)) 2.9164 1.2164 1.0836 assign ((resid 39 and name HE+)) ((resid 39 and name HD+)) 3.10258 1.40258 0.897415 assign ((resid 9 and name HG+) OR (resid 9 and name HG+) OR (resid 41 and name HG+)) ((resid 10 and name HA) OR (resid 8 and name HA) OR (resid 42 and name HA)) 3.44112 1.74112 0.808881 assign ((resid 48 and name HA)) ((resid 6 and name HN)) 4.37439 2.67439 1.12561 assign ((resid 22 and name HA)) ((resid 11 and name HE*)) 3.65402 1.95402 1.84598 assign ((resid 4 and name HB1)) ((resid 3 and name HA)) 4.44082 2.74082 2.83918 assign ((resid 53 and name HA)) ((resid 52 and name HN)) 4.60475 2.90475 0.895248 assign ((resid 51 and name HA)) ((resid 52 and name HN)) 3.52317 1.82317 1.97683 assign ((resid 41 and name HA)) ((resid 42 and name HN)) 3.33034 1.63034 0.919657 assign ((resid 51 and name HA)) ((resid 50 and name HA)) 3.92659 2.22659 1.57341 assign ((resid 45 and name HA)) ((resid 39 and name HA)) 2.4642 0.764197 0.735803 assign ((resid 11 and name HA)) ((resid 11 and name HD#)) 3.21969 1.51969 0.780305 assign ((resid 11 and name HA)) ((resid 11 and name HD*)) 3.18481 1.48481 0.815188 assign ((resid 33 and name HA) OR (resid 34 and name HB#)) ((resid 34 and name HA) OR (resid 34 and name HA)) 2.71811 1.01811 1.28189 assign ((resid 26 and name HA) OR (resid 33 and name HA)) ((resid 31 and name HN) OR (resid 33 and name HE)) 3.50512 1.80512 1.99488 assign ((resid 26 and name HB2)) ((resid 26 and name HA)) 2.62542 0.925423 1.37458 assign ((resid 19 and name HA) OR (resid 26 and name HA)) ((resid 20 and name HA) OR (resid 25 and name HA)) 2.79331 1.09331 1.20669 assign ((resid 34 and name HB*)) ((resid 34 and name HA)) 2.63737 0.937375 1.36263 assign ((resid 21 and name HB#) OR (resid 12 and name HB*)) ((resid 21 and name HA) OR (resid 14 and name HB#)) 2.62019 0.920193 1.37981 assign ((resid 23 and name HA) OR (resid 21 and name HA) OR (resid 21 and name HA)) ((resid 34 and name HA) OR (resid 20 and name HA) OR (resid 25 and name HA)) 2.92149 1.22149 1.07851 assign ((resid 23 and name HA)) ((resid 49 and name HA)) 4.40098 2.70098 1.09902 assign ((resid 13 and name HA) OR (resid 14 and name HB*) OR (resid 23 and name HA)) ((resid 14 and name HN) OR (resid 14 and name HN) OR (resid 22 and name HN)) 2.74636 1.04636 1.25364 assign ((resid 13 and name HA)) ((resid 11 and name HE#)) 4.19905 2.49905 1.30095 assign ((resid 13 and name HA)) ((resid 11 and name HD#)) 3.49278 1.79278 0.757223 assign ((resid 13 and name HA)) ((resid 11 and name HD*)) 3.49051 1.79051 0.759486 assign ((resid 31 and name HB#)) ((resid 31 and name HA)) 2.86806 1.16806 1.13194 assign ((resid 12 and name HD#)) ((resid 11 and name HD*)) 3.89592 2.19592 1.60408 assign ((resid 12 and name HD#)) ((resid 11 and name HD#)) 3.99274 2.29274 1.50726 assign ((resid 53 and name HB*) OR (resid 12 and name HB#) OR (resid 12 and name HG*)) ((resid 52 and name HB1) OR (resid 12 and name HD#) OR (resid 12 and name HD#)) 2.71958 1.01958 1.28042 assign ((resid 31 and name HB*)) ((resid 31 and name HA)) 2.81941 1.11941 1.18059 assign ((resid 40 and name HB2)) ((resid 40 and name HA)) 2.76293 1.06293 3.01707 assign ((resid 4 and name HB1)) ((resid 4 and name HA)) 2.87716 1.17716 2.90284 assign ((resid 16 and name HB2)) ((resid 16 and name HA)) 3.157 1.457 0.842998 assign ((resid 16 and name HB2)) ((resid 37 and name HB2)) 4.64106 2.94106 3.01394 assign ((resid 25 and name HB1) OR (resid 24 and name HB#)) ((resid 25 and name HA) OR (resid 25 and name HA)) 2.83052 1.13052 1.16948 assign ((resid 38 and name HB#)) ((resid 37 and name HA)) 4.40098 2.70098 1.09902 assign ((resid 38 and name HB#) OR (resid 38 and name HB#)) ((resid 38 and name HA) OR (resid 40 and name HA)) 2.67214 0.972141 1.32786 assign ((resid 24 and name HB*) OR (resid 50 and name HB#)) ((resid 23 and name HN) OR (resid 34 and name HN)) 3.6865 1.9865 1.8135 assign ((resid 50 and name HB#)) ((resid 49 and name HA)) 4.71559 3.01559 1.15941 assign ((resid 50 and name HB*) OR (resid 50 and name HB*) OR (resid 46 and name HB#)) ((resid 52 and name HB2) OR (resid 50 and name HB#) OR (resid 38 and name HB#)) 2.23956 0.539558 0.760442 assign ((resid 10 and name HB*)) ((resid 10 and name HD2#)) 4.20214 2.50214 1.29786 assign ((resid 43 and name HD+) OR (resid 23 and name HB2)) ((resid 44 and name HN) OR (resid 35 and name HN)) 3.61291 1.91291 1.88709 assign ((resid 10 and name HB#)) ((resid 10 and name HN)) 3.56787 1.86787 1.93213 assign ((resid 29 and name HB2)) ((resid 28 and name HN)) 3.2097 1.5097 0.790299 assign ((resid 10 and name HB#) OR (resid 23 and name HB2)) ((resid 11 and name HN) OR (resid 23 and name HD2#)) 2.94521 1.24521 2.83479 assign ((resid 10 and name HB#)) ((resid 10 and name HD2#)) 3.44806 1.74806 0.801935 assign ((resid 20 and name HB#) OR (resid 29 and name HB2) OR (resid 23 and name HB2) OR (resid 4 and name HB2)) ((resid 20 and name HA) OR (resid 25 and name HA) OR (resid 20 and name HA) OR (resid 4 and name HA)) 2.46769 0.767692 0.732308 assign ((resid 20 and name HB#) OR (resid 23 and name HB2)) ((resid 20 and name HN) OR (resid 20 and name HN)) 3.56754 1.86754 1.93246 assign ((resid 29 and name HB2)) ((resid 30 and name HN)) 2.99226 1.29226 1.00774 assign ((resid 42 and name HE+)) ((resid 43 and name HN)) 3.64324 1.94324 1.85676 ! ! manually removed, too much overlap ! 12/15/97 ! !assign ((NOT ALL) ! OR (resid 20 and name HB#)) !((NOT ALL) ! OR (resid 24 and name HD+)) ! 3.26392 1.56392 0.986076 assign ((resid 16 and name HB1)) ((resid 17 and name HN)) 4.05616 2.35616 3.22384 assign ((resid 44 and name HB2)) ((resid 44 and name HA)) 2.98465 1.28465 2.79535 assign ((resid 51 and name HB2)) ((resid 52 and name HN)) 4.36217 2.66217 1.13783 assign ((resid 51 and name HB2)) ((resid 50 and name HA)) 3.387 1.687 0.862998 assign ((resid 5 and name HG#) OR (resid 6 and name HG+)) ((resid 5 and name HE+) OR (resid 51 and name HB2)) 2.81865 1.11865 1.18135 assign ((resid 39 and name HB+)) ((resid 43 and name HN)) 3.7423 2.0423 1.7577 assign ((resid 39 and name HB+)) ((resid 39 and name HA)) 2.2305 0.530502 0.769498 assign ((resid 25 and name HB2) OR (resid 22 and name HB#)) ((resid 23 and name HN) OR (resid 23 and name HN)) 3.1312 1.4312 0.868797 assign ((resid 25 and name HB2) OR (resid 11 and name HB#) OR (resid 22 and name HB#)) ((resid 11 and name HD*) OR (resid 11 and name HD*) OR (resid 11 and name HD*)) 2.89209 1.19209 1.10791 assign ((resid 25 and name HB2) OR (resid 11 and name HB#) OR (resid 22 and name HB#)) ((resid 11 and name HE#) OR (resid 11 and name HE#) OR (resid 11 and name HE#)) 3.17178 1.47178 0.828225 assign ((resid 29 and name HB1) OR (resid 25 and name HB2)) ((resid 30 and name HN) OR (resid 30 and name HN)) 3.66542 1.96542 3.61458 assign ((resid 6 and name HE*)) ((resid 51 and name HE+)) 4.73439 3.03439 1.14061 assign ((resid 42 and name HG*) OR (resid 19 and name HB+)) ((resid 40 and name HB1) OR (resid 20 and name HB*)) 3.04437 1.34437 0.955632 assign ((resid 40 and name HB1)) ((resid 40 and name HA)) 3.29286 1.59286 2.73714 assign ((resid 40 and name HB1)) ((resid 40 and name HB2)) 2.47163 0.771626 0.728374 assign ((resid 11 and name HB*) OR (resid 8 and name HB*)) ((resid 11 and name HD*) OR (resid 11 and name HD*)) 3.38177 1.68177 0.868228 assign ((resid 11 and name HB*) OR (resid 8 and name HB*)) ((resid 11 and name HD#) OR (resid 11 and name HD#)) 3.24423 1.54423 0.755768 assign ((resid 15 and name HD*)) ((resid 15 and name HE#)) 3.01201 1.31201 0.987989 assign ((resid 38 and name HB*) OR (resid 38 and name HB*)) ((resid 38 and name HA) OR (resid 40 and name HA)) 2.63793 0.937931 1.36207 assign ((resid 44 and name HB1)) ((resid 44 and name HA)) 2.75038 1.05038 1.24962 assign ((resid 15 and name HD*)) ((resid 15 and name HE*)) 2.85826 1.15826 1.14174 assign ((resid 22 and name HB*) OR (resid 47 and name HB1)) ((resid 11 and name HD#) OR (resid 11 and name HD#)) 3.57117 1.87117 1.92883 assign ((resid 22 and name HB*) OR (resid 47 and name HB1)) ((resid 11 and name HD*) OR (resid 11 and name HD*)) 3.34082 1.64082 0.909181 assign ((resid 33 and name HG*) OR (resid 45 and name HB*) OR (resid 45 and name HG)) ((resid 33 and name HD#) OR (resid 37 and name HB1) OR (resid 37 and name HB1)) 2.62267 0.922665 1.37733 assign ((resid 7 and name HG2*)) ((resid 9 and name HG+)) 2.7584 1.0584 1.2416 assign ((resid 17 and name HG*)) ((resid 17 and name HN)) 3.07663 1.37663 0.923366 assign ((resid 41 and name HB#)) ((resid 42 and name HN)) 4.33457 2.63457 1.16543 ! ! manually discarded; weak peak ! 12/15/97 ! !assign ((NOT ALL) ! OR (resid 46 and name HB#)) !((NOT ALL) ! OR (resid 40 and name HN)) ! 3.8947 2.1947 1.6053 assign ((resid 46 and name HB#)) ((resid 46 and name HA)) 2.72628 1.02628 1.27372 assign ((resid 50 and name HB*)) ((resid 51 and name HN)) 3.95768 2.25768 1.54232 assign ((resid 26 and name HB1) OR (resid 50 and name HB*)) ((resid 49 and name HA) OR (resid 49 and name HA)) 3.44035 1.74035 0.809647 assign ((resid 53 and name HG#) OR (resid 33 and name HD*)) ((resid 53 and name HN) OR (resid 53 and name HN)) 3.75439 2.05439 1.74561 assign ((resid 30 and name HB1) OR (resid 26 and name HB1)) ((resid 30 and name HN) OR (resid 30 and name HN)) 3.00178 1.30178 0.998224 assign ((resid 30 and name HG#) OR (resid 30 and name HG#) OR (resid 18 and name HD#)) ((resid 30 and name HB1) OR (resid 26 and name HB1) OR (resid 17 and name HB1)) 2.75049 1.05049 1.24951 assign ((resid 53 and name HG*)) ((resid 53 and name HN)) 3.95972 2.25972 1.54028 assign ((resid 41 and name HB*)) ((resid 40 and name HB2)) 3.55488 1.85488 1.94512 assign ((resid 12 and name HD*)) ((resid 11 and name HD*)) 3.98413 2.28413 1.51587 assign ((resid 46 and name HG+)) ((resid 46 and name HA)) 2.89399 1.19399 1.10601 assign ((resid 43 and name HB+)) ((resid 43 and name HE)) 3.2664 1.5664 0.983599 assign ((resid 43 and name HB+) OR (resid 42 and name HB#)) ((resid 44 and name HN) OR (resid 44 and name HN)) 3.34835 1.64835 0.901646 assign ((resid 43 and name HB+) OR (resid 42 and name HB#)) ((resid 43 and name HN) OR (resid 43 and name HN)) 3.05468 1.35468 0.945324 assign ((resid 43 and name HB+)) ((resid 39 and name HD+)) 3.42405 1.72405 0.825953 assign ((resid 21 and name HB#) OR (resid 1 and name HB*) OR (resid 1 and name HB*) OR (resid 12 and name HB*)) ((resid 22 and name HN) OR (resid 3 and name HN) OR (resid 2 and name HN) OR (resid 14 and name HN)) 2.93933 1.23933 1.06067 assign ((resid 36 and name HB#)) ((resid 37 and name HA)) 4.24169 2.54169 1.25831 assign ((resid 15 and name HB#)) ((resid 11 and name HE#)) 3.96521 2.26521 1.53479 assign ((resid 15 and name HB#)) ((resid 11 and name HE*)) 3.96659 2.26659 1.53341 assign ((resid 46 and name HB*) OR (resid 6 and name HB#) OR (resid 15 and name HB#)) ((resid 40 and name HA) OR (resid 6 and name HA) OR (resid 16 and name HA)) 2.70934 1.00934 1.29066 assign ((resid 6 and name HB#)) ((resid 5 and name HA)) 4.85679 3.15679 1.01821 assign ((resid 42 and name HB*) OR (resid 6 and name HB*) OR (resid 36 and name HB*)) ((resid 40 and name HA) OR (resid 6 and name HA) OR (resid 38 and name HA)) 2.88371 1.18371 1.11629 assign ((resid 42 and name HD*) OR (resid 42 and name HD#)) ((resid 44 and name HD2#) OR (resid 44 and name HD2#)) 4.20008 2.50008 1.29992 assign ((resid 18 and name HG)) ((resid 19 and name HN)) 4.41544 2.71544 1.08456 assign ((resid 18 and name HG)) ((resid 18 and name HA)) 3.30637 1.60637 0.943625 assign ((resid 47 and name HB2)) ((resid 11 and name HD*)) 3.67626 1.97626 3.60374 assign ((resid 47 and name HB2)) ((resid 8 and name HD+)) 3.44112 1.74112 0.808881 assign ((resid 28 and name HB#)) ((resid 25 and name HA)) 2.72598 1.02598 1.27402 assign ((resid 43 and name HG#)) ((resid 43 and name HN)) 3.97354 2.27354 1.52646 assign ((resid 45 and name HB#) OR (resid 43 and name HG#)) ((resid 44 and name HA) OR (resid 44 and name HA)) 3.91324 2.21324 1.58676 assign ((resid 6 and name HD*)) ((resid 51 and name HE+)) 3.28522 1.58522 0.964777 assign ((resid 5 and name HD*) OR (resid 6 and name HD*)) ((resid 6 and name HA) OR (resid 6 and name HA)) 2.81582 1.11582 1.18418 assign ((resid 28 and name HB*) OR (resid 42 and name HG#)) ((resid 29 and name HN) OR (resid 41 and name HN)) 2.96223 1.26223 1.03777 assign ((resid 28 and name HB*)) ((resid 25 and name HA)) 2.89338 1.19338 1.10662 assign ((resid 42 and name HG#)) ((resid 42 and name HN)) 3.46359 1.76359 0.786407 assign ((resid 27 and name HB2) OR (resid 33 and name HB#) OR (resid 33 and name HG#)) ((resid 34 and name HN) OR (resid 34 and name HN) OR (resid 34 and name HN)) 3.22405 1.52405 0.775955 assign ((resid 5 and name HG#) OR (resid 6 and name HG+)) ((resid 6 and name HN) OR (resid 6 and name HN)) 3.50628 1.80628 1.99372 assign ((resid 45 and name HB*) OR (resid 45 and name HG)) ((resid 37 and name HB2) OR (resid 37 and name HB2)) 3.78585 2.08585 3.49415 assign ((resid 45 and name HB*) OR (resid 45 and name HG)) ((resid 44 and name HA) OR (resid 44 and name HA)) 3.28652 1.58652 0.963482 assign ((resid 32 and name HB+) OR (resid 32 and name HB+)) ((resid 30 and name HG*) OR (resid 30 and name HD*)) 3.56787 1.86787 1.93213 assign ((resid 30 and name HG*) OR (resid 30 and name HD*)) ((resid 30 and name HB2) OR (resid 30 and name HB2)) 2.62615 0.926154 3.15385 assign ((resid 30 and name HG*) OR (resid 30 and name HG*) OR (resid 30 and name HD*)) ((resid 30 and name HB1) OR (resid 26 and name HB1) OR (resid 30 and name HB1)) 2.4659 0.765903 0.734097 assign ((resid 30 and name HG*) OR (resid 30 and name HD*)) ((resid 30 and name HE+) OR (resid 30 and name HE+)) 2.59216 0.892157 1.40784 assign ((resid 13 and name HG*)) ((resid 11 and name HD*)) 3.81032 2.11032 1.68968 assign ((resid 13 and name HG*)) ((resid 46 and name HA)) 3.28301 1.58301 0.966987 assign ((resid 13 and name HG*)) ((resid 11 and name HD#)) 4.07671 2.37671 1.42329 assign ((resid 7 and name HG1*)) ((resid 6 and name HA)) 3.15547 1.45547 0.844533 assign ((resid 7 and name HG2*)) ((resid 9 and name HN)) 3.63156 1.93156 1.86844 assign ((resid 7 and name HG2*)) ((resid 46 and name HE2#)) 3.74001 2.04001 1.75999 assign ((resid 18 and name HD#)) ((resid 18 and name HN)) 3.57084 1.87084 1.92916 assign ((resid 28 and name HD*) OR (resid 30 and name HG#)) ((resid 30 and name HN) OR (resid 30 and name HN)) 3.31989 1.61989 0.930107 assign ((resid 28 and name HD*) OR (resid 30 and name HG#)) ((resid 28 and name HN) OR (resid 28 and name HN)) 3.90513 2.20513 1.59487 assign ((resid 28 and name HD*) OR (resid 28 and name HD*)) ((resid 24 and name HD+) OR (resid 31 and name HD2)) 4.03866 2.33866 1.46134 assign ((resid 28 and name HD#)) ((resid 31 and name HD2)) 4.14309 2.44309 1.35691 assign ((resid 28 and name HD#)) ((resid 29 and name HA)) 4.09455 2.39455 1.40545 assign ((resid 28 and name HD#)) ((resid 28 and name HN)) 3.77597 2.07597 1.72403 assign ((resid 28 and name HD#)) ((resid 31 and name HA)) 4.95781 3.25781 0.917188 assign ((resid 48 and name HG2+)) ((resid 49 and name HA)) 4.30569 2.60569 1.19431 assign ((resid 32 and name HB+)) ((resid 34 and name HA)) 3.58358 1.88358 1.91642 assign ((resid 33 and name HD#) OR (resid 47 and name HB1)) ((resid 52 and name HA) OR (resid 8 and name HA)) 3.66781 1.96781 1.83219 ! !manually added 53HA-4HA !see JEC.lab5, p. 102 ! assign ((resid 53 and name HA) OR (resid 22 and name HA) OR (resid 3 and name HA)) ((resid 4 and name HA) OR (resid 25 and name HA) OR (resid 4 and name HA)) 3.47797 1.77797 0.772029 assign ((resid 41 and name HA)) ((resid 40 and name HA)) 3.30272 1.60272 0.947281 assign ((resid 45 and name HA)) ((resid 44 and name HA)) 4.63899 2.93899 1.23601 ! ! manually added 6-9, 48-45 ! 12/14/97 ! assign ((resid 6 and name HD#) OR (resid 48 and name HG1#) OR (resid 27 and name HD#)) ((resid 9 and name HA) OR (resid 45 and name HA) OR (resid 34 and name HB#)) 3.19457 1.49457 0.805425 assign ((resid 12 and name HD*)) ((resid 11 and name HA)) 2.3225 0.622498 0.877502 assign ((resid 7 and name HG1*)) ((resid 9 and name HA)) 4.11922 2.41922 1.38078 assign ((resid 30 and name HG#) OR (resid 18 and name HD#)) ((resid 26 and name HA) OR (resid 19 and name HA)) 3.32489 1.62489 0.925112 ! ! manually added 49-33 ! 12/14/97 ! assign ((resid 49 and name HB*) OR (resid 49 and name HB*)) ((resid 33 and name HA) OR (resid 26 and name HA)) 3.2893 1.5893 0.960696 assign ((resid 19 and name HA)) ((resid 18 and name HA)) 3.74553 2.04553 1.75447 assign ((resid 51 and name HB1)) ((resid 32 and name HA)) 5.02328 3.32328 0.5 assign ((resid 32 and name HA) OR (resid 19 and name HA)) ((resid 34 and name HN) OR (resid 23 and name HN)) 3.92788 2.22788 1.57212 assign ((resid 28 and name HA) OR (resid 27 and name HA) OR (resid 27 and name HA)) ((resid 31 and name HA) OR (resid 31 and name HA) OR (resid 34 and name HA)) 3.33442 1.63442 0.915577 assign ((resid 28 and name HA) OR (resid 27 and name HA)) ((resid 30 and name HN) OR (resid 30 and name HN)) 4.13842 2.43842 1.36158 assign ((resid 7 and name HB) OR (resid 46 and name HG+)) ((resid 7 and name HA) OR (resid 7 and name HA)) 2.99255 1.29255 1.00745 assign ((resid 7 and name HA)) ((resid 6 and name HA)) 3.81188 2.11188 1.68812 assign ((resid 24 and name HA)) ((resid 23 and name HD2#)) 4.14874 2.44874 1.35126 assign ((resid 23 and name HA)) ((resid 23 and name HD2*)) 4.06429 2.36429 1.43571 assign ((resid 23 and name HA)) ((resid 23 and name HD2#)) 3.80824 2.10824 1.69176 assign ((resid 13 and name HA)) ((resid 11 and name HE*)) 4.10062 2.40062 1.39938 assign ((resid 43 and name HA)) ((resid 40 and name HN)) 4.17287 2.47287 1.32713 assign ((resid 24 and name HB#)) ((resid 21 and name HE2*)) 3.98555 2.28555 1.51445 assign ((resid 10 and name HB*) OR (resid 8 and name HB#)) ((resid 11 and name HN) OR (resid 11 and name HN)) 4.29838 2.59838 1.20162 assign ((resid 43 and name HD+)) ((resid 43 and name HE)) 3.01231 1.31231 0.987687 assign ((resid 42 and name HG*) OR (resid 19 and name HB+)) ((resid 42 and name HE+) OR (resid 20 and name HB#)) 3.05125 1.35125 0.948751 assign ((resid 16 and name HB1)) ((resid 37 and name HB2)) 4.3131 2.6131 1.1869 assign ((resid 44 and name HB2) OR (resid 27 and name HE*)) ((resid 46 and name HE2#) OR (resid 23 and name HD2#)) 3.79693 2.09693 1.70307 assign ((resid 26 and name HB2) OR (resid 51 and name HB2)) ((resid 51 and name HE+) OR (resid 51 and name HE+)) 3.63831 1.93831 3.64169 assign ((resid 26 and name HB2)) ((resid 35 and name HA#)) 3.36905 1.66905 0.880951 assign ((resid 39 and name HB+)) ((resid 44 and name HN)) 3.75392 2.05392 1.74608 ! !manually added 45-39, 33-26, 12/3/97 ! assign ((resid 45 and name HB*) OR (resid 45 and name HG) OR (resid 33 and name HB*) OR (resid 33 and name HB*)) ((resid 39 and name HB+) OR (resid 39 and name HB+) OR (resid 26 and name HB2) OR (resid 51 and name HB2)) 2.86785 1.16785 1.13215 assign ((resid 48 and name HG2+) OR (resid 48 and name HD1+)) ((resid 5 and name HE+) OR (resid 5 and name HE+)) 3.30657 1.60657 0.943432 assign ((resid 45 and name HD*)) ((resid 39 and name HB+)) 4.62064 2.92064 0.879355 assign ((resid 29 and name HB1) OR (resid 25 and name HB2) OR (resid 11 and name HB#) OR (resid 22 and name HB#)) ((resid 26 and name HN) OR (resid 26 and name HN) OR (resid 10 and name HN) OR (resid 26 and name HN)) 3.27626 1.57626 0.973739 assign ((resid 40 and name HB1) OR (resid 22 and name HB#)) ((resid 40 and name HA) OR (resid 16 and name HA)) 2.40669 0.706689 0.793311 assign ((resid 20 and name HB*)) ((resid 24 and name HD+)) 3.67262 1.97262 1.82738 assign ((resid 20 and name HB*)) ((resid 19 and name HN)) 3.51957 1.81957 1.98043 assign ((resid 11 and name HB*)) ((resid 11 and name HE*)) 3.9002 2.2002 1.5998 assign ((resid 23 and name HB1) OR (resid 11 and name HB*) OR (resid 8 and name HB*)) ((resid 25 and name HN) OR (resid 9 and name HN) OR (resid 9 and name HN)) 3.52528 1.82528 1.97472 assign ((resid 15 and name HG#)) ((resid 15 and name HE#)) 2.99486 1.29486 1.00514 assign ((resid 22 and name HB*) OR (resid 47 and name HB1)) ((resid 11 and name HE*) OR (resid 11 and name HE*)) 3.694 1.994 1.806 assign ((resid 22 and name HB*) OR (resid 47 and name HB1)) ((resid 11 and name HE#) OR (resid 11 and name HE#)) 4.36487 2.66487 1.13513 assign ((resid 41 and name HG+)) ((resid 42 and name HN)) 4.57034 2.87034 0.92966 ! ! manually added 19-17 ! 12/14/97 ! ! manually removed; weak, probably noise ! 12/15/97 ! !assign ((NOT ALL) ! OR (resid 19 and name HB+) ! OR (resid 42 and name HG*)) !((NOT ALL) ! OR (resid 17 and name HG#) ! OR (resid 41 and name HG+)) ! 3.29173 1.59173 0.958268 ! ! manually added 7-41 ! 12/11/97 ! assign ((resid 7 and name HG2*) OR (resid 7 and name HG2*)) ((resid 41 and name HB#) OR (resid 46 and name HB#)) 2.99923 1.29923 1.00077 assign ((resid 30 and name HB2)) ((resid 31 and name HN)) 4.38684 2.68684 1.11316 assign ((resid 33 and name HD*) OR (resid 26 and name HB1) OR (resid 26 and name HB1) OR (resid 50 and name HB*) OR (resid 50 and name HB*)) ((resid 33 and name HN) OR (resid 36 and name HN) OR (resid 33 and name HN) OR (resid 36 and name HN) OR (resid 33 and name HN)) 3.64286 1.94286 1.85714 assign ((resid 17 and name HB1)) ((resid 16 and name HN)) 3.81136 2.11136 3.46864 assign ((resid 53 and name HG#)) ((resid 54 and name HD+)) 4.5219 2.8219 0.978097 assign ((resid 53 and name HG#)) ((resid 54 and name HD+)) 4.5219 2.8219 0.978097 assign ((resid 30 and name HG#)) ((resid 30 and name HE+)) 3.16121 1.46121 0.838786 assign ((resid 9 and name HB#)) ((resid 9 and name HA)) 2.73157 1.03157 1.26843 assign ((resid 13 and name HG*)) ((resid 46 and name HG+)) 3.26181 1.56181 0.988188 assign ((resid 36 and name HB#) OR (resid 7 and name HB) OR (resid 21 and name HB#)) ((resid 38 and name HA) OR (resid 6 and name HA) OR (resid 16 and name HA)) 2.85903 1.15903 1.14097 assign ((resid 36 and name HB#)) ((resid 37 and name HB2)) 4.15158 2.45158 1.34842 assign ((resid 46 and name HB*)) ((resid 46 and name HA)) 3.2173 1.5173 0.782705 assign ((resid 5 and name HB+)) ((resid 6 and name HN)) 4.34625 2.64625 1.15375 assign ((resid 18 and name HG)) ((resid 17 and name HN)) 4.35682 2.65682 1.14318 assign ((resid 27 and name HD#) OR (resid 47 and name HB2)) ((resid 23 and name HD2#) OR (resid 11 and name HN)) 3.84977 2.14977 1.65023 assign ((resid 12 and name HG#)) ((resid 13 and name HN)) 4.1709 2.4709 1.3291 assign ((resid 6 and name HD*)) ((resid 51 and name HD+)) 3.60048 1.90048 1.89952 ! ! manually added 3-3 and 6- ! 10/10/97 ! assign ((resid 3 and name HG+) OR (resid 6 and name HD*) OR (resid 5 and name HD*)) ((resid 3 and name HN) OR (resid 3 and name HN) OR (resid 49 and name HN)) 2.93561 1.23561 1.06439 assign ((resid 42 and name HG#) OR (resid 43 and name HG*)) ((resid 43 and name HN) OR (resid 43 and name HN)) 3.52137 1.82137 1.97863 assign ((resid 43 and name HG*)) ((resid 43 and name HE)) 3.2165 1.5165 0.783502 assign ((resid 28 and name HB*)) ((resid 30 and name HN)) 4.1818 2.4818 1.3182 assign ((resid 27 and name HB2) OR (resid 33 and name HB#)) ((resid 34 and name HA) OR (resid 34 and name HA)) 3.49963 1.79963 0.750371 assign ((resid 6 and name HG+) OR (resid 19 and name HB+)) ((resid 4 and name HA) OR (resid 20 and name HA)) 3.72069 2.02069 1.77931 assign ((resid 45 and name HB*) OR (resid 45 and name HG)) ((resid 46 and name HN) OR (resid 46 and name HN)) 3.24576 1.54576 0.754243 assign ((resid 30 and name HG*) OR (resid 30 and name HD*)) ((resid 31 and name HN) OR (resid 31 and name HN)) 4.04893 2.34893 1.45107 assign ((resid 7 and name HG2*)) ((resid 46 and name HE2*)) 3.53076 1.83076 1.96924 ! ! upper bound needs to be lengthened; other ! restraint 7 HG2* to 6 HA exists and is a ! shorter distance ! changed upper bound from 0.76 to 1.76 ! 12/10/97 ! assign ((resid 7 and name HG2*)) ((resid 6 and name HA)) 3.4891 1.7891 1.760896 assign ((resid 18 and name HD#)) ((resid 17 and name HN)) 4.58351 2.88351 0.916492 assign ((resid 48 and name HG2+) OR (resid 48 and name HG2+) OR (resid 48 and name HD1+)) ((resid 8 and name HN) OR (resid 47 and name HN) OR (resid 8 and name HN)) 4.51674 2.81674 0.983262 assign ((resid 48 and name HG2+) OR (resid 48 and name HG2+) OR (resid 48 and name HD1+) OR (resid 48 and name HD1+)) ((resid 6 and name HA) OR (resid 38 and name HA) OR (resid 6 and name HA) OR (resid 38 and name HA)) 2.99952 1.29952 1.00048 assign ((resid 45 and name HD*) OR (resid 45 and name HD*)) ((resid 38 and name HA) OR (resid 16 and name HA)) 3.60648 1.90648 1.89352 assign ((resid 45 and name HD*)) ((resid 17 and name HG#)) 3.84143 2.14143 1.65857 assign ((resid 45 and name HD#) OR (resid 45 and name HD#)) ((resid 38 and name HA) OR (resid 16 and name HA)) 3.46279 1.76279 0.787208 assign ((resid 41 and name HA)) ((resid 43 and name HN)) 3.56952 1.86952 1.93048 assign ((resid 40 and name HB2) OR (resid 40 and name HB2)) ((resid 45 and name HA) OR (resid 41 and name HA)) 3.81767 2.11767 1.68233 assign ((resid 45 and name HA)) ((resid 46 and name HA)) 4.17981 2.47981 1.32019 ! ! added manually 23-26 ! 10/9/97 ! added manually 23-33 ! 12/14/97 ! assign ((resid 23 and name HB2) OR (resid 23 and name HB2) OR (resid 23 and name HB2)) ((resid 33 and name HA) OR (resid 26 and name HA) OR (resid 19 and name HA)) 2.49996 0.799965 0.700035 assign ((resid 15 and name HB*)) ((resid 14 and name HB*)) 4.30081 2.60081 1.19919 assign ((resid 51 and name HB1)) ((resid 4 and name HA)) 3.50658 1.80658 1.99342 assign ((resid 43 and name HD+) OR (resid 23 and name HB2)) ((resid 39 and name HD+) OR (resid 23 and name HD2*)) 3.6079 1.9079 1.8921 assign ((resid 42 and name HE+)) ((resid 42 and name HN)) 3.50687 1.80687 1.99313 assign ((resid 45 and name HB*) OR (resid 45 and name HG)) ((resid 16 and name HB1) OR (resid 16 and name HB1)) 2.88938 1.18938 1.11062 assign ((resid 39 and name HB+)) ((resid 38 and name HD+)) 3.90389 2.20389 1.59611 assign ((resid 30 and name HG*) OR (resid 30 and name HG*) OR (resid 30 and name HD*)) ((resid 29 and name HB1) OR (resid 25 and name HB2) OR (resid 29 and name HB1)) 3.14664 1.44664 0.853359 assign ((resid 15 and name HG#) OR (resid 15 and name HG#)) ((resid 15 and name HE*) OR (resid 21 and name HG*)) 3.17395 1.47395 0.826054 ! ! manually added 13-22 ! 12/14/97 ! ! manually removed; weak peak, poss. noise ! 12/15/97 ! !assign ((NOT ALL) ! OR (resid 13 and name HG*) ! OR (resid 13 and name HG*)) !((NOT ALL) ! OR (resid 22 and name HB*) ! OR (resid 47 and name HB1)) ! 3.76868 2.06868 1.73132 assign ((resid 33 and name HD*) OR (resid 26 and name HB1) OR (resid 26 and name HB1) OR (resid 50 and name HB*)) ((resid 34 and name HN) OR (resid 34 and name HN) OR (resid 23 and name HN) OR (resid 34 and name HN)) 4.12646 2.42646 1.37354 assign ((resid 33 and name HD*)) ((resid 52 and name HA)) 3.76916 2.06916 1.73084 assign ((resid 1 and name HB*)) ((resid 1 and name HN)) 4.29717 2.59717 1.20283 assign ((resid 43 and name HB+) OR (resid 46 and name HG+)) ((resid 39 and name HE+) OR (resid 46 and name HE2*)) 3.48239 1.78239 0.767605 assign ((resid 5 and name HD*) OR (resid 6 and name HD*)) ((resid 7 and name HN) OR (resid 7 and name HN)) 3.76627 2.06627 1.73373 assign ((resid 5 and name HG#) OR (resid 6 and name HG+)) ((resid 6 and name HA) OR (resid 6 and name HA)) 3.22388 1.52388 0.776117 assign ((resid 5 and name HG*)) ((resid 5 and name HN)) 3.7634 2.0634 1.7366 assign ((resid 30 and name HG*) OR (resid 30 and name HD*)) ((resid 51 and name HE+) OR (resid 51 and name HE+)) 4.49317 2.79317 1.00683 assign ((resid 30 and name HG*) OR (resid 30 and name HD*)) ((resid 8 and name HA) OR (resid 8 and name HA)) 3.88685 2.18685 1.61315 assign ((resid 13 and name HG*) OR (resid 27 and name HG+)) ((resid 11 and name HN) OR (resid 23 and name HD2#)) 4.71791 3.01791 1.15709 assign ((resid 7 and name HG1*)) ((resid 48 and name HB)) 4.50992 2.80992 0.990085 assign ((resid 33 and name HG*)) ((resid 52 and name HA)) 3.65518 1.95518 1.84482 ! ! manually added 4-53 ! 12/14/97 ! assign ((resid 4 and name HB2) OR (resid 23 and name HB2) OR (resid 4 and name HB2)) ((resid 53 and name HA) OR (resid 22 and name HA) OR (resid 3 and name HA)) 2.62076 0.920762 1.37924 assign ((resid 26 and name HB2)) ((resid 35 and name HA#)) 2.91528 1.21528 1.08472 ! ! manually added 33-23,28-23,33-23 ! 12/14/97 ! ! manually removed, T1 noise ! 12/15/97 ! !assign ((NOT ALL) ! OR (resid 33 and name HB#) ! OR (resid 28 and name HB*) ! OR (resid 33 and name HG#) ! OR (resid 27 and name HB2)) !((NOT ALL) ! OR (resid 23 and name HA) ! OR (resid 23 and name HA) ! OR (resid 23 and name HA) ! OR (resid 23 and name HA)) ! 3.1712 1.4712 0.828802 ! ! added 45 HG# ! see JEC.lab5, p 112 ! also 27-23 ! assign ((resid 45 and name HB#) OR (resid 45 and name HG#) OR (resid 27 and name HD*)) ((resid 13 and name HA) OR (resid 13 and name HA) OR (resid 23 and name HA)) 3.46681 1.76681 0.783188 assign ((resid 12 and name HB*)) ((resid 12 and name HD#)) 3.37727 1.67727 0.87273 ! ! manually added : 36-50, 36-38 ! 12/10/97 ! very weak, manually removed ! 12/15/97 ! !assign ((NOT ALL) ! OR (resid 21 and name HB#) ! OR (resid 36 and name HG+) ! OR (resid 36 and name HG+)) !((NOT ALL) ! OR (resid 24 and name HB*) ! OR (resid 50 and name HB#) ! OR (resid 38 and name HB#)) ! 3.19625 1.49625 0.803752 assign ((resid 46 and name HA)) ((resid 47 and name HN)) 2.54305 0.843054 1.45695 assign ((resid 20 and name HA)) ((resid 20 and name HN)) 2.5277 0.827698 1.4723 assign ((resid 25 and name HA)) ((resid 25 and name HN)) 3.20053 1.50053 0.799466 assign ((resid 24 and name HD+)) ((resid 25 and name HN)) 3.70161 2.00161 1.79839 assign ((resid 38 and name HD+)) ((resid 38 and name HN)) 3.48073 1.78073 0.769269 assign ((resid 37 and name HN) OR (resid 39 and name HN)) ((resid 38 and name HN) OR (resid 38 and name HN)) 4.52018 2.82018 0.979823 assign ((resid 40 and name HA)) ((resid 41 and name HN)) 2.47808 0.778084 0.721916 assign ((resid 25 and name HA)) ((resid 29 and name HN)) 3.36773 1.66773 0.88227 assign ((resid 6 and name HA)) ((resid 7 and name HN)) 2.43687 0.73687 0.76313 assign ((resid 38 and name HA) OR (resid 38 and name HA) OR (resid 40 and name HA)) ((resid 37 and name HN) OR (resid 39 and name HN) OR (resid 39 and name HN)) 2.48198 0.78198 0.71802 assign ((resid 34 and name HA)) ((resid 35 and name HN)) 2.82419 1.12419 1.17581 assign ((resid 39 and name HD+)) ((resid 45 and name HN)) 3.54314 1.84314 1.95686 assign ((resid 44 and name HA)) ((resid 45 and name HN)) 2.41428 0.714279 0.785721 assign ((resid 4 and name HA)) ((resid 4 and name HN)) 2.91898 1.21898 1.08102 assign ((resid 3 and name HA)) ((resid 4 and name HN)) 2.96465 1.26465 1.03535 assign ((resid 2 and name HA) OR (resid 2 and name HA)) ((resid 3 and name HN) OR (resid 2 and name HN)) 2.54782 0.847821 1.45218 assign ((resid 25 and name HA)) ((resid 28 and name HN)) 3.06093 1.36093 0.939066 assign ((resid 34 and name HA)) ((resid 34 and name HN)) 2.88541 1.18541 1.11459 assign ((resid 16 and name HA)) ((resid 18 and name HN)) 3.00612 1.30612 0.993881 assign ((resid 38 and name HA)) ((resid 38 and name HD+)) 2.85507 1.15507 1.14493 assign ((resid 31 and name HA)) ((resid 31 and name HD2)) 3.90948 2.20948 1.59052 assign ((resid 30 and name HA)) ((resid 31 and name HD2)) 4.16407 2.46407 1.33593 assign ((resid 25 and name HA)) ((resid 24 and name HD+)) 3.24848 1.54848 0.75152 assign ((resid 54 and name HE+)) ((resid 54 and name HD+)) 2.28787 0.587873 0.712127 assign ((resid 31 and name HA)) ((resid 31 and name HN)) 2.45743 0.757429 0.742571 assign ((resid 38 and name HA)) ((resid 39 and name HD+)) 2.78474 1.08474 1.21526 assign ((resid 39 and name HB+) OR (resid 26 and name HB2)) ((resid 39 and name HD+) OR (resid 23 and name HD2*)) 2.36101 0.661015 0.838985 assign ((resid 25 and name HA) OR (resid 25 and name HA)) ((resid 8 and name HE+) OR (resid 24 and name HE+)) 2.81213 1.11213 1.18787 assign ((resid 39 and name HB+)) ((resid 39 and name HE+)) 3.00821 1.30821 0.991793 assign ((resid 31 and name HA)) ((resid 30 and name HN)) 3.56329 1.86329 1.93671 assign ((resid 30 and name HA)) ((resid 30 and name HN)) 2.96348 1.26348 1.03652 assign ((resid 50 and name HA)) ((resid 51 and name HD+)) 3.02539 1.32539 0.97461 assign ((resid 28 and name HN)) ((resid 26 and name HN)) 3.94824 2.24824 1.55176 assign ((resid 11 and name HD*)) ((resid 47 and name HN)) 4.33715 2.63715 1.16285 assign ((resid 37 and name HA)) ((resid 47 and name HN)) 4.41107 2.71107 1.08893 assign ((resid 9 and name HN)) ((resid 8 and name HN)) 4.56109 2.86109 0.938907 assign ((resid 43 and name HN)) ((resid 41 and name HN)) 4.50316 2.80316 0.996836 assign ((resid 6 and name HA)) ((resid 6 and name HN)) 3.41963 1.71963 0.830374 assign ((resid 39 and name HD+) OR (resid 23 and name HD2*)) ((resid 44 and name HN) OR (resid 35 and name HN)) 3.83484 2.13484 1.66516 assign ((resid 40 and name HN)) ((resid 44 and name HN)) 4.17583 2.47583 1.32417 assign ((resid 30 and name HA)) ((resid 31 and name HE1)) 4.59501 2.89501 0.90499 assign ((resid 30 and name HA)) ((resid 31 and name HE1)) 4.59501 2.89501 0.90499 assign ((resid 49 and name HA)) ((resid 49 and name HN)) 3.53691 1.83691 1.96309 assign ((resid 21 and name HB*)) ((resid 22 and name HN)) 3.44858 1.74858 0.801417 assign ((resid 43 and name HN)) ((resid 40 and name HN)) 5.22589 3.52589 0.5 assign ((resid 36 and name HN) OR (resid 33 and name HN)) ((resid 50 and name HN) OR (resid 50 and name HN)) 3.68403 1.98403 1.81597 assign ((resid 21 and name HG*) OR (resid 49 and name HB#)) ((resid 21 and name HN) OR (resid 27 and name HN)) 3.58188 1.88188 1.91812 assign ((resid 12 and name HD*)) ((resid 11 and name HN)) 3.91261 2.21261 1.58739 assign ((resid 16 and name HA)) ((resid 17 and name HN)) 2.83438 1.13438 1.16562 assign ((resid 4 and name HA)) ((resid 51 and name HD+)) 3.51067 1.81067 1.98933 assign ((resid 38 and name HB*)) ((resid 38 and name HE+)) 3.35026 1.65026 0.899743 ! ! manually added 19-18 ! 12/14/97 ! assign ((resid 19 and name HB+) OR (resid 6 and name HG+)) ((resid 18 and name HN) OR (resid 51 and name HD+)) 3.15338 1.45338 0.846617 assign ((resid 38 and name HB#)) ((resid 38 and name HE+)) 3.6832 1.9832 1.8168 assign ((resid 48 and name HA)) ((resid 38 and name HD+)) 4.07254 2.37254 1.42746 assign ((resid 31 and name HN)) ((resid 31 and name HD2)) 3.25553 1.55553 0.994469 assign ((resid 28 and name HA)) ((resid 31 and name HD2)) 4.22642 2.52642 1.27358 assign ((resid 10 and name HD2#)) ((resid 10 and name HN)) 4.97447 3.27447 0.900534 assign ((resid 44 and name HA)) ((resid 39 and name HD+)) 3.03345 1.33345 0.966548 assign ((resid 8 and name HB#) OR (resid 52 and name HB2)) ((resid 8 and name HE+) OR (resid 54 and name HE+)) 3.67545 1.97545 1.82455 assign ((resid 30 and name HE+)) ((resid 8 and name HE+)) 3.35451 1.65451 0.895488 assign ((resid 9 and name HG+)) ((resid 8 and name HE+)) 3.52107 1.82107 1.97893 assign ((resid 39 and name HE+)) ((resid 39 and name HN)) 3.70589 2.00589 1.79411 assign ((resid 43 and name HA)) ((resid 39 and name HE+)) 3.72069 2.02069 1.77931 assign ((resid 25 and name HA)) ((resid 26 and name HN)) 3.82512 2.12512 1.67488 assign ((resid 46 and name HB*)) ((resid 38 and name HN)) 4.04101 2.34101 1.45899 assign ((resid 40 and name HN)) ((resid 41 and name HN)) 4.26764 2.56764 1.23236 assign ((resid 49 and name HA) OR (resid 49 and name HA)) ((resid 35 and name HN) OR (resid 48 and name HN)) 4.31186 2.61186 1.18814 assign ((resid 49 and name HN)) ((resid 6 and name HN)) 4.02015 2.32015 1.47985 assign ((resid 46 and name HN) OR (resid 49 and name HN)) ((resid 47 and name HN) OR (resid 8 and name HN)) 3.6787 1.9787 1.8213 assign ((resid 37 and name HA)) ((resid 46 and name HN)) 3.85824 2.15824 1.64176 assign ((resid 11 and name HE*) OR (resid 11 and name HE*)) ((resid 15 and name HN) OR (resid 16 and name HN)) 3.84253 2.14253 1.65747 assign ((resid 27 and name HN) OR (resid 21 and name HN)) ((resid 23 and name HN) OR (resid 23 and name HN)) 5.10335 3.40335 0.5 assign ((resid 24 and name HD+) OR (resid 24 and name HD+)) ((resid 27 and name HN) OR (resid 21 and name HN)) 3.49136 1.79136 0.758639 assign ((resid 17 and name HG#) OR (resid 21 and name HB*)) ((resid 18 and name HN) OR (resid 18 and name HN)) 3.4588 1.7588 0.791196 assign ((resid 51 and name HD+)) ((resid 52 and name HN)) 3.83648 2.13648 1.66352 ! ! manually added 12-20 ! 12/14/97 ! ! manually removed, weak peak, maybe noise ! 12/15/97 ! !assign ((NOT ALL) ! OR (resid 12 and name HD#) ! OR (resid 52 and name HB1)) !((NOT ALL) ! OR (resid 20 and name HD2*) ! OR (resid 54 and name HD+)) ! 4.37989 2.67989 1.12011 assign ((resid 8 and name HE+)) ((resid 8 and name HD+)) 1.61838 -0.0616246 0.601625 assign ((resid 28 and name HG)) ((resid 24 and name HE+)) 3.89106 2.19106 1.60894 assign ((resid 54 and name HB#)) ((resid 54 and name HE+)) 3.39368 1.69368 0.856321 ! ! check for 8-29, 10/9/97 ! assign ((resid 8 and name HE+) OR (resid 24 and name HE+)) ((resid 29 and name HN) OR (resid 29 and name HN)) 3.84865 2.14865 1.65135 assign ((resid 12 and name HD#) OR (resid 52 and name HB1)) ((resid 8 and name HE+) OR (resid 54 and name HE+)) 3.80358 2.10358 3.47642 assign ((resid 46 and name HB*)) ((resid 46 and name HE2*)) 3.85202 2.15202 1.64798 assign ((resid 21 and name HE2*)) ((resid 25 and name HN)) 4.1808 2.4808 1.3192 assign ((resid 36 and name HA) OR (resid 36 and name HA)) ((resid 35 and name HN) OR (resid 48 and name HN)) 4.02243 2.32243 1.47757 assign ((resid 39 and name HD+)) ((resid 46 and name HN)) 4.08684 2.38684 1.41316 assign ((resid 49 and name HB*) OR (resid 49 and name HB*)) ((resid 32 and name HN) OR (resid 27 and name HN)) 4.11385 2.41385 1.38615 assign ((resid 31 and name HA) OR (resid 34 and name HA)) ((resid 32 and name HN) OR (resid 27 and name HN)) 3.92595 2.22595 1.57405
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