NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
515851 |
1zwm   |
cing | 1-original | 4 | XPLOR/CNS | dipolar coupling |
! HN-N RDCs, gel
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 3 and name N )
( resid 3 and name HN ) 2.878 0.297 0.297
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 4 and name N )
( resid 4 and name HN ) -0.266 0.165 0.165
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 5 and name N )
( resid 5 and name HN ) 1.148 0.098 0.098
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 6 and name N )
( resid 6 and name HN ) 10.654 0.240 0.240
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 7 and name N )
( resid 7 and name HN ) 18.141 0.341 0.341
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 8 and name N )
( resid 8 and name HN ) 11.579 0.385 0.385
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 9 and name N )
( resid 9 and name HN ) 10.883 0.358 0.358
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 10 and name N )
( resid 10 and name HN ) -7.058 0.439 0.439
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 11 and name N )
( resid 11 and name HN ) -9.507 0.345 0.345
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 12 and name N )
( resid 12 and name HN ) -2.032 0.259 0.259
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 13 and name N )
( resid 13 and name HN ) 0.561 0.209 0.209
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 14 and name N )
( resid 14 and name HN )-23.793 0.786 0.786
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 15 and name N )
( resid 15 and name HN )-17.039 0.594 0.594
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 16 and name N )
( resid 16 and name HN ) -9.549 0.237 0.237
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 17 and name N )
( resid 17 and name HN )-18.932 0.235 0.235
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 18 and name N )
( resid 18 and name HN ) 4.678 0.211 0.211
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 19 and name N )
( resid 19 and name HN )-12.810 0.252 0.252
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 20 and name N )
( resid 20 and name HN ) 4.612 0.316 0.316
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 21 and name N )
( resid 21 and name HN ) -2.422 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 22 and name N )
( resid 22 and name HN ) 17.079 0.344 0.344
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 23 and name N )
( resid 23 and name HN ) 13.800 0.769 0.769
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 24 and name N )
( resid 24 and name HN ) -1.537 0.624 0.624
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 25 and name N )
( resid 25 and name HN ) -1.961 0.211 0.211
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 26 and name N )
( resid 26 and name HN ) 6.562 0.395 0.395
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 27 and name N )
( resid 27 and name HN ) 8.822 0.493 0.493
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 28 and name N )
( resid 28 and name HN ) -0.347 0.205 0.205
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 29 and name N )
( resid 29 and name HN ) -4.594 0.390 0.390
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 30 and name N )
( resid 30 and name HN )-14.916 0.531 0.531
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 31 and name N )
( resid 31 and name HN ) -8.515 0.536 0.536
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 32 and name N )
( resid 32 and name HN )-23.340 0.514 0.514
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 33 and name N )
( resid 33 and name HN ) -7.537 0.280 0.280
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 34 and name N )
( resid 34 and name HN )-16.842 0.550 0.550
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 35 and name N )
( resid 35 and name HN ) -4.604 0.241 0.241
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 36 and name N )
( resid 36 and name HN )-11.798 0.306 0.306
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 37 and name N )
( resid 37 and name HN )-23.453 1.204 1.204
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 38 and name N )
( resid 38 and name HN ) 15.839 0.537 0.537
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 39 and name N )
( resid 39 and name HN ) 15.275 0.352 0.352
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 40 and name N )
( resid 40 and name HN ) 17.327 0.330 0.330
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 41 and name N )
( resid 41 and name HN ) 19.093 0.303 0.303
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 42 and name N )
( resid 42 and name HN ) 19.017 0.373 0.373
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 43 and name N )
( resid 43 and name HN ) 12.448 0.307 0.307
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 44 and name N )
( resid 44 and name HN ) 12.250 0.401 0.401
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 45 and name N )
( resid 45 and name HN ) 6.819 0.241 0.241
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 46 and name N )
( resid 46 and name HN ) 10.982 0.555 0.555
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 47 and name N )
( resid 47 and name HN ) 12.998 0.396 0.396
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 48 and name N )
( resid 48 and name HN ) 5.455 0.602 0.602
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 49 and name N )
( resid 49 and name HN ) -8.948 0.496 0.496
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 50 and name N )
( resid 50 and name HN )-18.789 0.954 0.954
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 51 and name N )
( resid 51 and name HN )-20.573 0.303 0.303
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 53 and name N )
( resid 53 and name HN )-15.615 0.470 0.470
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 54 and name N )
( resid 54 and name HN )-26.212 0.678 0.678
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 55 and name N )
( resid 55 and name HN )-25.951 0.373 0.373
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 56 and name N )
( resid 56 and name HN )-17.869 0.294 0.294
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 57 and name N )
( resid 57 and name HN ) -9.189 0.469 0.469
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 60 and name N )
( resid 60 and name HN ) -0.492 1.111 1.111
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 61 and name N )
( resid 61 and name HN ) 18.110 0.682 0.682
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 63 and name N )
( resid 63 and name HN ) -7.566 0.253 0.253
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 64 and name N )
( resid 64 and name HN ) 5.059 0.330 0.330
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 65 and name N )
( resid 65 and name HN ) 13.476 0.214 0.214
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 66 and name N )
( resid 66 and name HN ) 11.599 0.413 0.413
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 68 and name N )
( resid 68 and name HN )-17.471 0.338 0.338
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 69 and name N )
( resid 69 and name HN )-11.853 0.486 0.486
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 70 and name N )
( resid 70 and name HN )-18.130 0.462 0.462
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 71 and name N )
( resid 71 and name HN )-15.991 0.466 0.466
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 72 and name N )
( resid 72 and name HN ) -5.773 0.601 0.601
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 73 and name N )
( resid 73 and name HN ) -1.881 0.929 0.929
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 74 and name N )
( resid 74 and name HN ) -8.664 0.559 0.559
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 76 and name N )
( resid 76 and name HN ) 5.789 0.511 0.511
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 77 and name N )
( resid 77 and name HN ) 2.527 0.303 0.303
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 78 and name N )
( resid 78 and name HN ) -7.793 0.241 0.241
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 79 and name N )
( resid 79 and name HN )-17.277 0.400 0.400
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 80 and name N )
( resid 80 and name HN )-20.111 1.190 1.190
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 81 and name N )
( resid 81 and name HN ) 11.736 0.502 0.502
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 82 and name N )
( resid 82 and name HN ) 11.557 0.402 0.402
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 83 and name N )
( resid 83 and name HN ) 12.782 0.625 0.625
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 84 and name N )
( resid 84 and name HN ) 14.128 0.457 0.457
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 85 and name N )
( resid 85 and name HN ) -0.455 0.385 0.385
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 86 and name N )
( resid 86 and name HN ) 1.831 0.778 0.778
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 87 and name N )
( resid 87 and name HN )-14.788 0.495 0.495
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 88 and name N )
( resid 88 and name HN ) -0.104 0.294 0.294
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 89 and name N )
( resid 89 and name HN ) 3.664 0.791 0.791
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 90 and name N )
( resid 90 and name HN ) 1.196 0.245 0.245
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 91 and name N )
( resid 91 and name HN ) 1.828 0.134 0.134
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 92 and name N )
( resid 92 and name HN ) -0.007 0.106 0.106
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 93 and name N )
( resid 93 and name HN ) -0.168 0.212 0.212
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 95 and name N )
( resid 95 and name HN ) 17.793 0.427 0.427
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 97 and name N )
( resid 97 and name HN ) 6.963 1.336 1.336
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 98 and name N )
( resid 98 and name HN ) -7.673 0.393 0.393
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 99 and name N )
( resid 99 and name HN ) -8.241 0.427 0.427
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 100 and name N )
( resid 100 and name HN ) 2.107 0.231 0.231
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 101 and name N )
( resid 101 and name HN ) -1.472 0.322 0.322
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 103 and name N )
( resid 103 and name HN )-14.817 1.035 1.035
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 104 and name N )
( resid 104 and name HN ) -7.498 0.290 0.290
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 105 and name N )
( resid 105 and name HN )-13.202 0.273 0.273
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 106 and name N )
( resid 106 and name HN ) 4.840 0.224 0.224
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 107 and name N )
( resid 107 and name HN )-14.613 0.294 0.294
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 108 and name N )
( resid 108 and name HN ) 0.050 0.469 0.469
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 109 and name N )
( resid 109 and name HN ) -3.032 0.271 0.271
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 111 and name N )
( resid 111 and name HN ) 10.023 0.400 0.400
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 112 and name N )
( resid 112 and name HN )-18.370 0.562 0.562
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 113 and name N )
( resid 113 and name HN ) 3.174 0.252 0.252
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 114 and name N )
( resid 114 and name HN ) 4.565 0.433 0.433
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 116 and name N )
( resid 116 and name HN ) 2.816 0.232 0.232
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 117 and name N )
( resid 117 and name HN ) -6.314 0.801 0.801
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 118 and name N )
( resid 118 and name HN )-16.102 0.458 0.458
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 119 and name N )
( resid 119 and name HN )-22.712 0.414 0.414
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 120 and name N )
( resid 120 and name HN ) -9.228 0.283 0.283
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 121 and name N )
( resid 121 and name HN )-13.557 0.583 0.583
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 122 and name N )
( resid 122 and name HN )-10.642 0.419 0.419
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 123 and name N )
( resid 123 and name HN )-11.393 0.351 0.351
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 124 and name N )
( resid 124 and name HN )-17.152 0.343 0.343
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 125 and name N )
( resid 125 and name HN )-19.659 0.314 0.314
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 126 and name N )
( resid 126 and name HN )-10.979 0.506 0.506
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 127 and name N )
( resid 127 and name HN )-10.292 1.155 1.155
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 128 and name N )
( resid 128 and name HN ) 15.891 0.472 0.472
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 129 and name N )
( resid 129 and name HN ) 14.705 2.771 2.771
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 132 and name N )
( resid 132 and name HN ) 18.696 1.113 1.113
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 137 and name N )
( resid 137 and name HN ) 16.234 0.953 0.953
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 138 and name N )
( resid 138 and name HN ) 7.869 1.506 1.506
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 139 and name N )
( resid 139 and name HN ) -9.265 0.526 0.526
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 140 and name N )
( resid 140 and name HN )-17.408 0.559 0.559
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 141 and name N )
( resid 141 and name HN )-19.436 0.338 0.338
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 143 and name N )
( resid 143 and name HN )-18.648 0.560 0.560
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 145 and name N )
( resid 145 and name HN )-24.981 0.365 0.365
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 146 and name N )
( resid 146 and name HN )-17.224 0.355 0.355
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 147 and name N )
( resid 147 and name HN ) -7.097 0.435 0.435
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 148 and name N )
( resid 148 and name HN )-16.716 1.017 1.017
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 150 and name N )
( resid 150 and name HN ) 8.229 0.759 0.759
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 151 and name N )
( resid 151 and name HN ) 19.163 2.237 2.237
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 157 and name N )
( resid 157 and name HN ) 4.430 0.873 0.873
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 158 and name N )
( resid 158 and name HN )-16.220 1.097 1.097
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 160 and name N )
( resid 160 and name HN )-19.981 0.439 0.439
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 161 and name N )
( resid 161 and name HN )-19.752 0.481 0.481
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 162 and name N )
( resid 162 and name HN ) -8.251 0.876 0.876
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 163 and name N )
( resid 163 and name HN ) -4.025 0.502 0.502
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 164 and name N )
( resid 164 and name HN ) -9.860 0.409 0.409
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 165 and name N )
( resid 165 and name HN ) -5.786 0.377 0.377
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 166 and name N )
( resid 166 and name HN ) -7.471 0.273 0.273
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 168 and name N )
( resid 168 and name HN ) 5.312 0.254 0.254
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 169 and name N )
( resid 169 and name HN )-20.363 0.676 0.676
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 171 and name N )
( resid 171 and name HN ) 13.152 0.615 0.615
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 172 and name N )
( resid 172 and name HN ) 13.449 0.382 0.382
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 173 and name N )
( resid 173 and name HN ) 13.541 0.465 0.465
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 174 and name N )
( resid 174 and name HN ) 16.799 0.452 0.452
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 175 and name N )
( resid 175 and name HN ) 6.001 0.294 0.294
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 176 and name N )
( resid 176 and name HN ) 3.897 0.173 0.173
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 177 and name N )
( resid 177 and name HN ) -2.596 0.104 0.104
! Ca-C RDCs, gel
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 2 and name C )
( resid 2 and name CA ) 0.057 0.156 0.156
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 3 and name C )
( resid 3 and name CA ) -0.176 0.110 0.110
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 4 and name C )
( resid 4 and name CA ) 0.453 0.066 0.066
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 5 and name C )
( resid 5 and name CA ) -1.705 0.189 0.189
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 6 and name C )
( resid 6 and name CA ) 2.082 0.345 0.345
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 7 and name C )
( resid 7 and name CA ) -3.386 0.342 0.342
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 8 and name C )
( resid 8 and name CA ) 1.105 0.323 0.323
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 9 and name C )
( resid 9 and name CA ) -4.091 0.389 0.389
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 10 and name C )
( resid 10 and name CA ) 0.934 0.396 0.396
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 11 and name C )
( resid 11 and name CA ) 2.989 0.233 0.233
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 12 and name C )
( resid 12 and name CA ) 1.733 0.250 0.250
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 13 and name C )
( resid 13 and name CA ) -0.578 0.673 0.673
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 14 and name C )
( resid 14 and name CA ) 0.168 0.504 0.504
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 15 and name C )
( resid 15 and name CA ) -4.338 0.225 0.225
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 16 and name C )
( resid 16 and name CA ) 3.434 0.211 0.211
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 17 and name C )
( resid 17 and name CA ) 2.188 0.188 0.188
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 18 and name C )
( resid 18 and name CA ) -3.428 0.219 0.219
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 19 and name C )
( resid 19 and name CA ) 2.392 0.311 0.311
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 20 and name C )
( resid 20 and name CA ) -0.562 0.231 0.231
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 21 and name C )
( resid 21 and name CA ) 0.975 0.417 0.417
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 22 and name C )
( resid 22 and name CA ) 0.141 0.422 0.422
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 23 and name C )
( resid 23 and name CA ) -2.709 0.385 0.385
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 24 and name C )
( resid 24 and name CA ) 0.490 0.206 0.206
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 25 and name C )
( resid 25 and name CA ) -0.560 0.484 0.484
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 26 and name C )
( resid 26 and name CA ) -0.265 0.459 0.459
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 27 and name C )
( resid 27 and name CA ) -1.311 0.269 0.269
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 28 and name C )
( resid 28 and name CA ) -3.877 0.365 0.365
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 29 and name C )
( resid 29 and name CA ) -0.978 0.327 0.327
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 30 and name C )
( resid 30 and name CA ) -4.053 0.454 0.454
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 31 and name C )
( resid 31 and name CA ) -0.076 0.405 0.405
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 32 and name C )
( resid 32 and name CA ) 2.895 0.277 0.277
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 33 and name C )
( resid 33 and name CA ) -0.096 0.437 0.437
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 34 and name C )
( resid 34 and name CA ) 0.170 0.210 0.210
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 35 and name C )
( resid 35 and name CA ) 2.053 0.375 0.375
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 36 and name C )
( resid 36 and name CA ) 3.598 0.658 0.658
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 37 and name C )
( resid 37 and name CA ) 2.389 0.611 0.611
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 38 and name C )
( resid 38 and name CA ) 1.590 0.367 0.367
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 39 and name C )
( resid 39 and name CA ) 2.284 0.396 0.396
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 40 and name C )
( resid 40 and name CA ) -0.477 0.345 0.345
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 41 and name C )
( resid 41 and name CA ) 1.232 0.418 0.418
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 42 and name C )
( resid 42 and name CA ) -2.295 0.256 0.256
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 43 and name C )
( resid 43 and name CA ) -1.777 0.279 0.279
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 44 and name C )
( resid 44 and name CA ) 0.426 0.226 0.226
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 45 and name C )
( resid 45 and name CA ) 3.224 0.428 0.428
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 46 and name C )
( resid 46 and name CA ) -0.676 0.408 0.408
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 47 and name C )
( resid 47 and name CA ) -1.205 0.419 0.419
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 48 and name C )
( resid 48 and name CA ) 0.902 0.394 0.394
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 49 and name C )
( resid 49 and name CA ) -1.638 0.857 0.857
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 50 and name C )
( resid 50 and name CA ) 2.699 0.290 0.290
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 52 and name C )
( resid 52 and name CA ) -4.618 0.466 0.466
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 53 and name C )
( resid 53 and name CA ) -1.091 0.633 0.633
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 54 and name C )
( resid 54 and name CA ) -1.824 0.402 0.402
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 55 and name C )
( resid 55 and name CA ) 2.148 0.248 0.248
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 56 and name C )
( resid 56 and name CA ) 3.784 0.386 0.386
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 59 and name C )
( resid 59 and name CA ) -0.139 0.850 0.850
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 60 and name C )
( resid 60 and name CA ) -0.983 0.621 0.621
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 62 and name C )
( resid 62 and name CA ) -4.892 0.229 0.229
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 63 and name C )
( resid 63 and name CA ) 1.668 0.305 0.305
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 64 and name C )
( resid 64 and name CA ) -2.180 0.155 0.155
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 65 and name C )
( resid 65 and name CA ) 0.754 0.405 0.405
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 67 and name C )
( resid 67 and name CA ) 1.291 0.265 0.265
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 68 and name C )
( resid 68 and name CA ) -4.579 0.474 0.474
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 69 and name C )
( resid 69 and name CA ) -2.205 0.441 0.441
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 70 and name C )
( resid 70 and name CA ) 0.666 0.534 0.534
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 71 and name C )
( resid 71 and name CA ) -1.233 0.485 0.485
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 72 and name C )
( resid 72 and name CA ) -3.329 1.138 1.138
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 73 and name C )
( resid 73 and name CA ) 3.101 0.564 0.564
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 74 and name C )
( resid 74 and name CA ) -0.437 1.344 1.344
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 75 and name C )
( resid 75 and name CA ) -3.737 0.372 0.372
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 76 and name C )
( resid 76 and name CA ) -0.391 0.270 0.270
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 77 and name C )
( resid 77 and name CA ) 3.684 0.221 0.221
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 78 and name C )
( resid 78 and name CA ) 0.193 0.473 0.473
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 79 and name C )
( resid 79 and name CA ) 3.359 1.159 1.159
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 80 and name C )
( resid 80 and name CA ) 1.277 0.539 0.539
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 81 and name C )
( resid 81 and name CA ) 2.458 0.457 0.457
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 82 and name C )
( resid 82 and name CA ) 0.353 0.497 0.497
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 83 and name C )
( resid 83 and name CA ) 3.188 0.416 0.416
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 84 and name C )
( resid 84 and name CA ) -5.424 0.303 0.303
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 85 and name C )
( resid 85 and name CA ) 0.887 0.488 0.488
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 86 and name C )
( resid 86 and name CA ) -1.734 0.328 0.328
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 87 and name C )
( resid 87 and name CA ) 0.120 0.205 0.205
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 88 and name C )
( resid 88 and name CA ) 1.391 0.358 0.358
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 89 and name C )
( resid 89 and name CA ) 0.009 0.235 0.235
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 90 and name C )
( resid 90 and name CA ) -1.011 0.084 0.084
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 91 and name C )
( resid 91 and name CA ) -0.025 0.071 0.071
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 92 and name C )
( resid 92 and name CA ) 1.445 0.122 0.122
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 93 and name C )
( resid 93 and name CA ) -3.873 0.952 0.952
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 94 and name C )
( resid 94 and name CA ) 1.826 0.412 0.412
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 95 and name C )
( resid 95 and name CA ) -5.053 0.675 0.675
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 96 and name C )
( resid 96 and name CA ) 0.103 1.091 1.091
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 97 and name C )
( resid 97 and name CA ) -4.787 0.381 0.381
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 98 and name C )
( resid 98 and name CA ) 0.603 0.578 0.578
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 99 and name C )
( resid 99 and name CA ) 3.177 0.214 0.214
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 100 and name C )
( resid 100 and name CA ) 0.864 0.282 0.282
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 101 and name C )
( resid 101 and name CA ) -0.392 1.340 1.340
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 102 and name C )
( resid 102 and name CA ) 0.268 0.714 0.714
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 103 and name C )
( resid 103 and name CA ) -4.685 0.248 0.248
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 104 and name C )
( resid 104 and name CA ) 3.560 0.255 0.255
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 105 and name C )
( resid 105 and name CA ) 1.939 0.164 0.164
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 106 and name C )
( resid 106 and name CA ) -3.859 0.191 0.191
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 107 and name C )
( resid 107 and name CA ) 3.286 0.360 0.360
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 108 and name C )
( resid 108 and name CA ) -1.968 0.202 0.202
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 110 and name C )
( resid 110 and name CA ) -3.086 0.333 0.333
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 111 and name C )
( resid 111 and name CA ) -1.585 0.424 0.424
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 112 and name C )
( resid 112 and name CA ) 0.536 0.217 0.217
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 113 and name C )
( resid 113 and name CA ) -1.076 0.382 0.382
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 115 and name C )
( resid 115 and name CA ) -0.826 0.225 0.225
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 116 and name C )
( resid 116 and name CA ) -3.377 0.458 0.458
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 117 and name C )
( resid 117 and name CA ) -2.311 0.451 0.451
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 118 and name C )
( resid 118 and name CA ) 2.754 0.489 0.489
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 119 and name C )
( resid 119 and name CA ) 0.049 0.275 0.275
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 120 and name C )
( resid 120 and name CA ) -2.859 0.441 0.441
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 121 and name C )
( resid 121 and name CA ) -1.105 0.456 0.456
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 122 and name C )
( resid 122 and name CA ) 3.179 0.275 0.275
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 123 and name C )
( resid 123 and name CA ) -2.193 0.302 0.302
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 124 and name C )
( resid 124 and name CA ) 0.361 0.252 0.252
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 125 and name C )
( resid 125 and name CA ) 1.296 0.346 0.346
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 126 and name C )
( resid 126 and name CA ) 5.218 1.265 1.265
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 127 and name C )
( resid 127 and name CA ) 2.459 1.458 1.458
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 128 and name C )
( resid 128 and name CA ) 1.933 1.307 1.307
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 131 and name C )
( resid 131 and name CA ) -0.340 8.298 8.298
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 132 and name C )
( resid 132 and name CA ) 0.996 4.288 4.288
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 133 and name C )
( resid 133 and name CA ) -1.823 2.553 2.553
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 136 and name C )
( resid 136 and name CA ) 0.020 0.727 0.727
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 137 and name C )
( resid 137 and name CA ) -1.545 1.333 1.333
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 138 and name C )
( resid 138 and name CA ) -0.690 0.375 0.375
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 139 and name C )
( resid 139 and name CA ) -2.214 0.661 0.661
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 140 and name C )
( resid 140 and name CA ) 3.159 0.306 0.306
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 142 and name C )
( resid 142 and name CA ) -4.110 0.457 0.457
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 143 and name C )
( resid 143 and name CA ) -1.277 0.707 0.707
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 144 and name C )
( resid 144 and name CA ) -1.020 0.465 0.465
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 145 and name C )
( resid 145 and name CA ) 2.467 0.321 0.321
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 147 and name C )
( resid 147 and name CA ) 0.086 0.560 0.560
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 149 and name C )
( resid 149 and name CA ) -0.862 1.520 1.520
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 150 and name C )
( resid 150 and name CA ) -1.451 1.392 1.392
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 156 and name C )
( resid 156 and name CA ) -3.529 0.541 0.541
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 157 and name C )
( resid 157 and name CA ) 1.149 0.823 0.823
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 159 and name C )
( resid 159 and name CA ) -1.412 0.335 0.335
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 160 and name C )
( resid 160 and name CA ) 0.372 0.517 0.517
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 161 and name C )
( resid 161 and name CA ) -1.441 1.090 1.090
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 162 and name C )
( resid 162 and name CA ) -2.158 0.363 0.363
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 163 and name C )
( resid 163 and name CA ) 1.649 0.283 0.283
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 164 and name C )
( resid 164 and name CA ) -0.045 0.256 0.256
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 165 and name C )
( resid 165 and name CA ) -2.210 0.157 0.157
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 167 and name C )
( resid 167 and name CA ) 3.181 0.163 0.163
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 168 and name C )
( resid 168 and name CA ) -1.627 0.688 0.688
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 169 and name C )
( resid 169 and name CA ) 2.485 0.916 0.916
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 170 and name C )
( resid 170 and name CA ) 0.253 0.581 0.581
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 171 and name C )
( resid 171 and name CA ) 2.262 0.374 0.374
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 172 and name C )
( resid 172 and name CA ) 0.490 0.468 0.468
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 174 and name C )
( resid 174 and name CA ) -5.620 0.256 0.256
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 175 and name C )
( resid 175 and name CA ) 1.216 0.166 0.166
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 176 and name C )
( resid 176 and name CA ) -4.046 0.077 0.077
! N-C RDCs, gel
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 3 and name N )
( resid 2 and name C ) 0.001 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 4 and name N )
( resid 3 and name C ) -0.177 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 5 and name N )
( resid 4 and name C ) -0.553 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 6 and name N )
( resid 5 and name C ) 0.414 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 7 and name N )
( resid 6 and name C ) 0.887 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 8 and name N )
( resid 7 and name C ) 0.653 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 9 and name N )
( resid 8 and name C ) 1.319 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 10 and name N )
( resid 9 and name C ) 1.360 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 11 and name N )
( resid 10 and name C ) -1.077 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 12 and name N )
( resid 11 and name C ) 0.341 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 13 and name N )
( resid 12 and name C ) 1.803 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 14 and name N )
( resid 13 and name C ) 0.490 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 15 and name N )
( resid 14 and name C ) 0.681 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 16 and name N )
( resid 15 and name C ) 0.754 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 17 and name N )
( resid 16 and name C ) -1.251 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 18 and name N )
( resid 17 and name C ) 1.832 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 19 and name N )
( resid 18 and name C ) 0.832 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 20 and name N )
( resid 19 and name C ) -2.471 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 21 and name N )
( resid 20 and name C ) 0.868 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 22 and name N )
( resid 21 and name C ) -1.993 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 23 and name N )
( resid 22 and name C ) 1.049 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 24 and name N )
( resid 23 and name C ) 0.752 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 25 and name N )
( resid 24 and name C ) -1.647 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 26 and name N )
( resid 25 and name C ) 0.644 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 27 and name N )
( resid 26 and name C ) 2.086 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 28 and name N )
( resid 27 and name C ) -2.643 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 29 and name N )
( resid 28 and name C ) 1.603 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 30 and name N )
( resid 29 and name C ) 0.730 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 31 and name N )
( resid 30 and name C ) 1.006 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 32 and name N )
( resid 31 and name C ) 1.121 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 33 and name N )
( resid 32 and name C ) -1.012 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 34 and name N )
( resid 33 and name C ) -0.142 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 35 and name N )
( resid 34 and name C ) 1.693 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 36 and name N )
( resid 35 and name C ) 0.009 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 38 and name N )
( resid 37 and name C ) 0.591 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 39 and name N )
( resid 38 and name C ) 0.188 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 40 and name N )
( resid 39 and name C ) 0.501 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 41 and name N )
( resid 40 and name C ) -1.066 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 42 and name N )
( resid 41 and name C ) 0.439 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 43 and name N )
( resid 42 and name C ) -0.295 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 44 and name N )
( resid 43 and name C ) -1.952 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 45 and name N )
( resid 44 and name C ) -1.509 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 46 and name N )
( resid 45 and name C ) 0.346 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 47 and name N )
( resid 46 and name C ) 1.487 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 48 and name N )
( resid 47 and name C ) 0.666 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 49 and name N )
( resid 48 and name C ) 1.531 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 50 and name N )
( resid 49 and name C ) 0.058 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 51 and name N )
( resid 50 and name C ) 0.223 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 53 and name N )
( resid 52 and name C ) 0.802 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 54 and name N )
( resid 53 and name C ) 1.564 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 55 and name N )
( resid 54 and name C ) 0.101 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 56 and name N )
( resid 55 and name C ) -0.667 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 57 and name N )
( resid 56 and name C ) 1.110 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 60 and name N )
( resid 59 and name C ) 0.885 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 61 and name N )
( resid 60 and name C ) -1.031 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 63 and name N )
( resid 62 and name C ) 0.486 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 64 and name N )
( resid 63 and name C ) -2.603 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 65 and name N )
( resid 64 and name C ) 0.740 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 66 and name N )
( resid 65 and name C ) 1.033 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 68 and name N )
( resid 67 and name C ) -2.419 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 69 and name N )
( resid 68 and name C ) 1.249 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 70 and name N )
( resid 69 and name C ) 1.668 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 71 and name N )
( resid 70 and name C ) -0.817 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 72 and name N )
( resid 71 and name C ) 1.849 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 74 and name N )
( resid 73 and name C ) -1.832 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 76 and name N )
( resid 75 and name C ) -0.262 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 77 and name N )
( resid 76 and name C ) -1.665 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 78 and name N )
( resid 77 and name C ) -1.684 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 79 and name N )
( resid 78 and name C ) 0.426 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 80 and name N )
( resid 79 and name C ) -0.260 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 81 and name N )
( resid 80 and name C ) -0.382 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 82 and name N )
( resid 81 and name C ) 0.564 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 83 and name N )
( resid 82 and name C ) -0.485 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 84 and name N )
( resid 83 and name C ) 0.695 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 85 and name N )
( resid 84 and name C ) 1.658 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 86 and name N )
( resid 85 and name C ) -0.185 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 87 and name N )
( resid 86 and name C ) 1.395 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 88 and name N )
( resid 87 and name C ) -1.724 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 89 and name N )
( resid 88 and name C ) 0.514 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 90 and name N )
( resid 89 and name C ) 0.170 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 91 and name N )
( resid 90 and name C ) -0.156 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 92 and name N )
( resid 91 and name C ) -0.848 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 93 and name N )
( resid 92 and name C ) -0.541 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 95 and name N )
( resid 94 and name C ) 0.024 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 96 and name N )
( resid 95 and name C ) 0.979 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 98 and name N )
( resid 97 and name C ) 1.192 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 99 and name N )
( resid 98 and name C ) -1.915 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 100 and name N )
( resid 99 and name C ) 1.197 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 101 and name N )
( resid 100 and name C ) 1.785 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 103 and name N )
( resid 102 and name C ) 1.348 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 104 and name N )
( resid 103 and name C ) 0.246 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 105 and name N )
( resid 104 and name C ) -1.703 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 106 and name N )
( resid 105 and name C ) 2.015 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 107 and name N )
( resid 106 and name C ) 0.706 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 108 and name N )
( resid 107 and name C ) -2.407 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 109 and name N )
( resid 108 and name C ) 0.960 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 111 and name N )
( resid 110 and name C ) 0.950 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 112 and name N )
( resid 111 and name C ) 0.635 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 113 and name N )
( resid 112 and name C ) -1.655 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 114 and name N )
( resid 113 and name C ) 0.904 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 116 and name N )
( resid 115 and name C ) -3.064 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 117 and name N )
( resid 116 and name C ) 2.061 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 118 and name N )
( resid 117 and name C ) 0.783 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 119 and name N )
( resid 118 and name C ) -0.729 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 120 and name N )
( resid 119 and name C ) 0.998 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 121 and name N )
( resid 120 and name C ) 1.645 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 122 and name N )
( resid 121 and name C ) 0.706 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 123 and name N )
( resid 122 and name C ) -1.158 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 124 and name N )
( resid 123 and name C ) 0.856 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 125 and name N )
( resid 124 and name C ) 1.042 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 126 and name N )
( resid 125 and name C ) -0.134 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 128 and name N )
( resid 127 and name C ) 0.782 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 137 and name N )
( resid 136 and name C ) 0.724 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 139 and name N )
( resid 138 and name C ) 1.416 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 140 and name N )
( resid 139 and name C ) 0.350 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 141 and name N )
( resid 140 and name C ) 0.073 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 143 and name N )
( resid 142 and name C ) 0.828 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 144 and name N )
( resid 143 and name C ) 2.129 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 145 and name N )
( resid 144 and name C ) 0.057 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 146 and name N )
( resid 145 and name C ) -0.467 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 147 and name N )
( resid 146 and name C ) 1.167 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 148 and name N )
( resid 147 and name C ) -0.394 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 157 and name N )
( resid 156 and name C ) 1.674 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 160 and name N )
( resid 159 and name C ) 1.568 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 161 and name N )
( resid 160 and name C ) -0.685 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 162 and name N )
( resid 161 and name C ) 2.133 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 163 and name N )
( resid 162 and name C ) 1.299 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 164 and name N )
( resid 163 and name C ) -1.761 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 165 and name N )
( resid 164 and name C ) 0.611 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 166 and name N )
( resid 165 and name C ) 1.566 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 168 and name N )
( resid 167 and name C ) -0.983 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 170 and name N )
( resid 169 and name C ) 0.057 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 171 and name N )
( resid 170 and name C ) -0.826 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 172 and name N )
( resid 171 and name C ) 0.759 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 173 and name N )
( resid 172 and name C ) -0.798 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 174 and name N )
( resid 173 and name C ) 0.718 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 175 and name N )
( resid 174 and name C ) 1.086 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 176 and name N )
( resid 175 and name C ) 0.235 0.300 0.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 177 and name N )
( resid 176 and name C ) -0.064 0.300 0.300
! Ca-Cb RDCs, gel
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 2 and name CA )
( resid 2 and name CB ) -0.541 1.043 1.043
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 3 and name CA )
( resid 3 and name CB ) 0.235 0.540 0.540
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 6 and name CA )
( resid 6 and name CB ) -3.565 1.225 1.225
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 7 and name CA )
( resid 7 and name CB ) -2.948 1.643 1.643
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 8 and name CA )
( resid 8 and name CB ) -1.531 0.881 0.881
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 9 and name CA )
( resid 9 and name CB ) 1.520 1.064 1.064
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 10 and name CA )
( resid 10 and name CB ) 2.464 1.038 1.038
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 11 and name CA )
( resid 11 and name CB ) -0.753 0.907 0.907
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 12 and name CA )
( resid 12 and name CB ) -3.506 0.912 0.912
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 13 and name CA )
( resid 13 and name CB ) 2.068 1.318 1.318
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 14 and name CA )
( resid 14 and name CB ) 0.251 0.873 0.873
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 15 and name CA )
( resid 15 and name CB ) 1.979 0.776 0.776
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 16 and name CA )
( resid 16 and name CB ) 1.510 0.833 0.833
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 18 and name CA )
( resid 18 and name CB ) 2.788 1.145 1.145
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 19 and name CA )
( resid 19 and name CB ) 0.881 1.355 1.355
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 20 and name CA )
( resid 20 and name CB ) 0.283 0.892 0.892
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 21 and name CA )
( resid 21 and name CB ) -1.875 0.778 0.778
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 22 and name CA )
( resid 22 and name CB ) -1.125 0.980 0.980
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 23 and name CA )
( resid 23 and name CB ) -1.530 0.676 0.676
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 24 and name CA )
( resid 24 and name CB ) 2.873 0.855 0.855
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 25 and name CA )
( resid 25 and name CB ) -2.559 0.833 0.833
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 26 and name CA )
( resid 26 and name CB ) -2.649 0.880 0.880
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 27 and name CA )
( resid 27 and name CB ) 2.229 0.753 0.753
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 28 and name CA )
( resid 28 and name CB ) 3.458 0.685 0.685
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 29 and name CA )
( resid 29 and name CB ) 2.123 0.770 0.770
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 30 and name CA )
( resid 30 and name CB ) 0.269 1.250 1.250
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 31 and name CA )
( resid 31 and name CB ) 2.495 0.801 0.801
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 32 and name CA )
( resid 32 and name CB ) -0.228 1.020 1.020
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 33 and name CA )
( resid 33 and name CB ) -0.300 1.019 1.019
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 34 and name CA )
( resid 34 and name CB ) -1.824 0.752 0.752
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 35 and name CA )
( resid 35 and name CB ) 1.294 1.512 1.512
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 36 and name CA )
( resid 36 and name CB ) -0.865 1.012 1.012
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 37 and name CA )
( resid 37 and name CB ) -0.003 1.440 1.440
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 38 and name CA )
( resid 38 and name CB ) -1.389 1.056 1.056
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 39 and name CA )
( resid 39 and name CB ) -4.021 1.251 1.251
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 40 and name CA )
( resid 40 and name CB ) -3.005 1.434 1.434
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 41 and name CA )
( resid 41 and name CB ) -4.419 0.919 0.919
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 42 and name CA )
( resid 42 and name CB ) -1.862 1.106 1.106
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 45 and name CA )
( resid 45 and name CB ) -3.555 0.907 0.907
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 46 and name CA )
( resid 46 and name CB ) -4.306 1.302 1.302
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 47 and name CA )
( resid 47 and name CB ) -2.458 0.760 0.760
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 48 and name CA )
( resid 48 and name CB ) -1.760 1.068 1.068
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 49 and name CA )
( resid 49 and name CB ) 1.758 1.046 1.046
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 50 and name CA )
( resid 50 and name CB ) -1.082 1.092 1.092
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 52 and name CA )
( resid 52 and name CB ) 0.828 1.419 1.419
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 53 and name CA )
( resid 53 and name CB ) 2.625 0.902 0.902
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 54 and name CA )
( resid 54 and name CB ) 0.414 0.825 0.825
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 55 and name CA )
( resid 55 and name CB ) 3.090 0.819 0.819
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 59 and name CA )
( resid 59 and name CB ) -1.889 1.500 1.500
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 60 and name CA )
( resid 60 and name CB ) -2.923 2.753 2.753
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 62 and name CA )
( resid 62 and name CB ) 0.900 1.183 1.183
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 63 and name CA )
( resid 63 and name CB ) 1.525 1.300 1.300
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 65 and name CA )
( resid 65 and name CB ) -1.596 0.926 0.926
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 67 and name CA )
( resid 67 and name CB ) 2.305 1.190 1.190
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 68 and name CA )
( resid 68 and name CB ) 1.743 0.893 0.893
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 69 and name CA )
( resid 69 and name CB ) 2.722 0.869 0.869
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 70 and name CA )
( resid 70 and name CB ) 1.730 0.858 0.858
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 71 and name CA )
( resid 71 and name CB ) -2.664 1.043 1.043
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 73 and name CA )
( resid 73 and name CB ) -3.356 1.255 1.255
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 75 and name CA )
( resid 75 and name CB ) -1.590 1.168 1.168
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 76 and name CA )
( resid 76 and name CB ) 2.486 0.741 0.741
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 77 and name CA )
( resid 77 and name CB ) -4.605 0.653 0.653
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 78 and name CA )
( resid 78 and name CB ) 0.490 0.948 0.948
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 79 and name CA )
( resid 79 and name CB ) 0.434 1.191 1.191
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 81 and name CA )
( resid 81 and name CB ) -0.750 0.990 0.990
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 82 and name CA )
( resid 82 and name CB ) -1.494 1.212 1.212
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 83 and name CA )
( resid 83 and name CB ) -4.014 1.353 1.353
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 84 and name CA )
( resid 84 and name CB ) 0.017 0.754 0.754
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 85 and name CA )
( resid 85 and name CB ) 2.306 0.791 0.791
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 86 and name CA )
( resid 86 and name CB ) 2.233 0.775 0.775
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 87 and name CA )
( resid 87 and name CB ) 1.377 0.962 0.962
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 88 and name CA )
( resid 88 and name CB ) -1.205 1.442 1.442
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 89 and name CA )
( resid 89 and name CB ) -0.543 0.986 0.986
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 92 and name CA )
( resid 92 and name CB ) -1.451 0.672 0.672
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 93 and name CA )
( resid 93 and name CB ) -1.597 1.430 1.430
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 94 and name CA )
( resid 94 and name CB ) -1.662 1.434 1.434
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 95 and name CA )
( resid 95 and name CB ) -1.132 1.500 1.500
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 96 and name CA )
( resid 96 and name CB ) -0.205 0.840 0.840
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 97 and name CA )
( resid 97 and name CB ) 0.531 1.500 1.500
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 98 and name CA )
( resid 98 and name CB ) 3.030 1.032 1.032
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 99 and name CA )
( resid 99 and name CB ) -2.487 0.931 0.931
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 100 and name CA )
( resid 100 and name CB ) -3.804 1.100 1.100
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 102 and name CA )
( resid 102 and name CB ) 0.148 0.927 0.927
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 103 and name CA )
( resid 103 and name CB ) 1.046 1.473 1.473
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 104 and name CA )
( resid 104 and name CB ) 0.930 0.746 0.746
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 106 and name CA )
( resid 106 and name CB ) 2.638 0.744 0.744
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 107 and name CA )
( resid 107 and name CB ) 2.407 0.838 0.838
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 108 and name CA )
( resid 108 and name CB ) 1.296 1.418 1.418
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 109 and name CA )
( resid 109 and name CB ) -0.490 1.128 1.128
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 110 and name CA )
( resid 110 and name CB ) 1.403 0.955 0.955
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 111 and name CA )
( resid 111 and name CB ) 0.893 0.795 0.795
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 112 and name CA )
( resid 112 and name CB ) 2.527 1.086 1.086
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 113 and name CA )
( resid 113 and name CB ) -3.059 1.141 1.141
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 115 and name CA )
( resid 115 and name CB ) 2.538 0.940 0.940
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 116 and name CA )
( resid 116 and name CB ) 3.498 0.856 0.856
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 117 and name CA )
( resid 117 and name CB ) 3.393 1.500 1.500
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 118 and name CA )
( resid 118 and name CB ) 2.112 1.140 1.140
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 119 and name CA )
( resid 119 and name CB ) -2.084 0.914 0.914
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 120 and name CA )
( resid 120 and name CB ) -1.349 1.115 1.115
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 121 and name CA )
( resid 121 and name CB ) 2.453 0.905 0.905
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 122 and name CA )
( resid 122 and name CB ) -2.620 0.756 0.756
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 123 and name CA )
( resid 123 and name CB ) 2.130 0.951 0.951
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 124 and name CA )
( resid 124 and name CB ) 0.189 1.086 1.086
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 125 and name CA )
( resid 125 and name CB ) 1.680 0.858 0.858
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 126 and name CA )
( resid 126 and name CB ) -2.182 1.084 1.084
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 127 and name CA )
( resid 127 and name CB ) -2.318 3.194 3.194
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 136 and name CA )
( resid 136 and name CB ) -4.527 1.547 1.547
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 137 and name CA )
( resid 137 and name CB ) -2.694 1.500 1.500
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 138 and name CA )
( resid 138 and name CB ) -0.330 1.500 1.500
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 139 and name CA )
( resid 139 and name CB ) 2.247 1.124 1.124
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 140 and name CA )
( resid 140 and name CB ) -0.325 0.979 0.979
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 142 and name CA )
( resid 142 and name CB ) 0.958 1.442 1.442
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 144 and name CA )
( resid 144 and name CB ) -0.801 1.098 1.098
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 145 and name CA )
( resid 145 and name CB ) 1.890 0.955 0.955
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 147 and name CA )
( resid 147 and name CB ) 1.579 1.288 1.288
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 148 and name CA )
( resid 148 and name CB ) -1.793 1.312 1.312
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 149 and name CA )
( resid 149 and name CB ) -3.225 1.297 1.297
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 150 and name CA )
( resid 150 and name CB ) -4.123 2.348 2.348
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 156 and name CA )
( resid 156 and name CB ) 0.400 0.888 0.888
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 159 and name CA )
( resid 159 and name CB ) 1.120 0.896 0.896
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 160 and name CA )
( resid 160 and name CB ) 2.056 0.885 0.885
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 161 and name CA )
( resid 161 and name CB ) -1.244 0.837 0.837
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 162 and name CA )
( resid 162 and name CB ) 3.466 1.219 1.219
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 164 and name CA )
( resid 164 and name CB ) -0.350 1.130 1.130
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 165 and name CA )
( resid 165 and name CB ) -0.203 0.743 0.743
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 167 and name CA )
( resid 167 and name CB ) -4.950 0.987 0.987
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 168 and name CA )
( resid 168 and name CB ) 0.402 0.632 0.632
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 169 and name CA )
( resid 169 and name CB ) 2.464 0.957 0.957
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 170 and name CA )
( resid 170 and name CB ) 1.638 0.791 0.791
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 171 and name CA )
( resid 171 and name CB ) -0.594 0.991 0.991
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 172 and name CA )
( resid 172 and name CB ) -0.555 1.577 1.577
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 173 and name CA )
( resid 173 and name CB ) -2.369 1.423 1.423
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 174 and name CA )
( resid 174 and name CB ) 0.340 1.248 1.248
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 175 and name CA )
( resid 175 and name CB ) 1.851 0.808 0.808
assign ( resid 501 and name OO )
( resid 501 and name Z )
( resid 501 and name X )
( resid 501 and name Y )
( resid 176 and name CA )
( resid 176 and name CB ) 1.974 0.741 0.741
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