NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
473151 |
2hx6   |
cing | 1-original | 4 | XPLOR/CNS | distance | general distance | simple |
!!###### Second helix (47-54)
!5717 118.279 3.939 7.011 null null 1952921 # 47HA-50N-HN 3.22459
assign (resid 47 and name HA) (resid 50 and name HN) 3.30 1.50 0.00
!d2089 0.000 3.943 1.775 null null 14016 # 47HA-50HB2 2.44041
!c8013 38.866 3.957 1.776 null null 63396 # 47HA-50CB-HB2 4.01
!c8014 38.866 3.957 1.140 null null 37123 # 47HA-50CB-HB3 4.38
!c8069 56.303 1.782 3.948 null null 387620 # 50HB2-47CA-HA 2.96
assign (resid 47 and name HA) (resid 50 and name HB2) 3.00 1.20 0.00
!c8015 23.326 3.944 0.680 null null 267670 # 47HA-50CD1-HD1 3.15
!c8082 56.392 0.695 3.947 null null 206063 # 50HD1-47CA-HA 3.29
assign (resid 47 and name HA) (resid 50 and name HD1*) 3.50 1.70 0.00
!c8016 21.421 3.947 0.254 null null 388182 # 47HA-50CD2-HD2 2.96
assign (resid 47 and name HA) (resid 50 and name HD2*) 3.00 1.20 0.00
!c8025 23.199 2.106 0.675 null null 174852 # 47HB3-50CD1-HD1 3.38
assign (resid 47 and name HB2) (resid 50 and name HD1*) 3.40 1.60 0.00
!5740 118.858 4.232 8.628 null null 2104012 # 48HA-51N-HN 3.18479
assign (resid 48 and name HA) (resid 51 and name HN) 3.30 1.50 0.00
!c8033 37.962 4.242 2.759 null null 72701 # 48HA-51CB-HB2 3.92
!c8107 52.621 2.788 4.241 null null 190351 # 51HB2-48CA-HA 3.34
!c8112 52.694 2.661 4.242 null null 210782 # 51HB3-48CA-HA 3.28
assign (resid 48 and name HA) (resid 51 and name HB1) 3.50 1.70 0.00
assign (resid 48 and name HA) (resid 51 and name HB2) 3.50 1.70 0.00
!c8124 56.152 1.856 4.065 null null 258731 # 52HB3-49CA-HA 3.17
assign (resid 49 and name HA) (resid 52 and name HB2) 3.50 1.70 0.00
!2155 0.000 1.684 3.525 null null 10521 # 53HB-50HA 2.5599
!c8068 15.970 3.538 1.688 null null 225169 # 50HA-53CB-HB 3.24
!c8131 55.584 1.698 3.531 null null 216972 # 53HB-50CA-HA 3.26
assign (resid 50 and name HA) (resid 53 and name HB*) 3.30 1.50 0.00
!c8095 15.941 0.237 1.686 null null 202789 # 50HD2-53CB-HB 3.30
assign (resid 50 and name HD2*) (resid 53 and name HB*) 3.30 1.50 0.00
!c8101 15.899 1.369 1.690 null null 285625 # 50HG-53CB-HB 3.12
assign (resid 50 and name HG) (resid 53 and name HB*) 3.20 1.40 0.00
!c8152 21.446 0.991 0.251 null null 1147665 # 54HG2-50CD2-HD2 2.47
assign (resid 50 and name HD2*) (resid 54 and name HG2*) 3.00 0.70 0.00
!c8105 35.304 4.421 2.173 null null 168403 # 51HA-54CB-HB 3.40
assign (resid 51 and name HA) (resid 54 and name HB) 3.50 1.70 0.00
!8106 11.717 4.401 0.961 null null 413541 # 51HA-54CD1-HD1 2.93
assign (resid 51 and name HA) (resid 54 and name HD1*) 3.00 1.20 0.00
!c8119 26.382 4.074 2.163 null null 268796 # 52HA-55CB-HB2 3.15
!c8120 26.382 4.074 2.057 null null 271200 # 52HA-55CB-HB3 3.14
assign (resid 52 and name HA) (resid 55 and name HB*) 3.50 1.70 0.00
!5786 116.361 4.096 8.106 null null 2571213 # 52HA-55N-HN 3.08011
assign (resid 52 and name HA) (resid 55 and name HN) 3.30 1.50 0.00
!5796 113.184 4.573 7.999 null null 1280609 # 53HA-56N-HN 3.45955
assign (resid 53 and name HA) (resid 56 and name HN) 3.50 1.70 0.00
!c8130 24.286 4.589 1.684 null null 182671 # 53HA-56CB-HB2 3.36
assign (resid 53 and name HA) (resid 56 and name HB*) 3.50 1.70 0.00
assign (resid 51 and name HN) (resid 47 and name O) 2.10 0.30 0.00
assign (resid 51 and name N) (resid 47 and name O) 3.10 1.30 0.00
assign (resid 52 and name HN) (resid 48 and name O) 2.10 0.30 0.00
assign (resid 52 and name N) (resid 48 and name O) 3.10 1.30 0.00
assign (resid 53 and name HN) (resid 49 and name O) 2.10 0.30 0.00
assign (resid 53 and name N) (resid 49 and name O) 3.10 1.30 0.00
assign (resid 54 and name HN) (resid 50 and name O) 2.10 0.30 0.00
assign (resid 54 and name N) (resid 50 and name O) 3.10 1.30 0.00
!!###### Third helix (60-70)
!c8244 29.400 3.702 1.851 null null 245041 # 60HA-63CB-HB 3.20
!c8285 57.468 1.851 3.717 null null 191932 # 63HB-60CA-HA 3.33
assign (resid 60 and name HA) (resid 63 and name HB) 3.50 1.70 0.00
!c8245 21.011 3.705 0.810 null null 400196 # 60HA-63CG1-HG1 2.95
!c8246 19.552 3.708 0.664 null null 72511 # 60HA-63CG2-HG2 3.92
!c8290 57.468 0.810 3.711 null null 200249 # 63HG1-60CA-HA 3.31
!c8295 57.468 0.670 3.711 null null 136132 # 63HG2-60CA-HA 3.53
assign (resid 60 and name HA) (resid 63 and name HG*) 4.00 2.80 0.00
!5901 115.749 4.049 8.357 null null 2095705 # 61HA-64N-HN 3.18689
assign (resid 61 and name HA) (resid 64 and name HN) 3.30 1.50 0.00
!c8303 64.218 3.235 4.063 null null 115703 # 64HB2-61CA-HA 3.62
assign (resid 61 and name HA) (resid 64 and name HB2) 4.00 2.20 0.00
!c8308 64.218 3.143 4.063 null null 117569 # 64HB3-61CA-HA 3.62
assign (resid 61 and name HA) (resid 64 and name HB1) 4.00 2.20 0.00
!c8312 64.208 6.920 4.065 null null 151581 # 64HD1-61CA-HA 3.47
assign (resid 61 and name HA) (resid 64 and name HD*) 3.50 1.70 0.00
!c8304 65.854 3.235 4.321 null null 156427 # 64HB2-61CB-HB 3.45
assign (resid 61 and name HB) (resid 64 and name HB1) 3.50 1.70 0.00
!5911 120.330 4.778 7.988 null null 1674843 # 62HA-65N-HN 3.30821
assign (resid 62 and name HA) (resid 65 and name HN) 3.30 1.50 0.00
!c8266 26.966 4.796 2.550 null null 175864 # 62HA-65CB-HB2 3.38
!c8266 27.122 4.797 2.409 null null 132092 # 62HA-65CB-HB3 3.55
assign (resid 62 and name HA) (resid 65 and name HB*) 3.50 1.70 0.00
!c8268 34.439 4.800 2.633 null null 101659 # 62HA-65CG-HG2 3.70
assign (resid 62 and name HA) (resid 65 and name HG*) 3.70 1.90 0.00
!c8275 26.993 7.295 2.409 null null 152853 # 62HD1-65CB-HB3 3.46
assign (resid 62 and name HD*) (resid 65 and name HB*) 3.50 1.70 0.00
!5912 119.326 4.759 7.614 null null 945782 # 62HA-66N-HN 3.63879
assign (resid 62 and name HA) (resid 66 and name HN) 4.10 2.30 0.00
!5938 117.179 4.435 8.442 null null 1480684 # 64HA-67N-HN 3.37685
assign (resid 64 and name HA) (resid 67 and name HN) 3.40 1.60 0.00
!5939 114.201 4.434 8.256 null null 1204274 # 64HA-68N-HN 3.49517
assign (resid 64 and name HA) (resid 68 and name HN) 4.10 2.30 0.00
!c8327 26.231 4.198 3.599 null null 62598 # 65HA-68CB-HB2 4.02
!c8328 26.231 4.198 3.358 null null 78993 # 65HA-68CB-HB3 3.86
assign (resid 65 and name HA) (resid 68 and name HB*) 4.00 2.20 0.00
!5948 116.655 4.184 7.856 null null 1432683 # 65HA-69N-HN 3.39545
assign (resid 65 and name HA) (resid 69 and name HN) 4.10 2.30 0.00
!5961 116.655 4.237 7.857 null null 1576796 # 66HA-69N-HN 3.34164
assign (resid 66 and name HA) (resid 69 and name HN) 3.40 1.60 0.00
!c8422 59.766 1.974 4.146 null null 128485 # 70HB-67CA-HA 3.56
assign (resid 67 and name HA) (resid 70 and name HB) 3.50 1.70 0.00
assign (resid 65 and name HN) (resid 61 and name O) 2.10 0.30 0.00
assign (resid 65 and name N) (resid 61 and name O) 3.10 1.30 0.00
assign (resid 66 and name HN) (resid 62 and name O) 2.10 0.30 0.00
assign (resid 66 and name N) (resid 62 and name O) 3.10 1.30 0.00
assign (resid 67 and name HN) (resid 63 and name O) 2.10 0.30 0.00
assign (resid 67 and name N) (resid 63 and name O) 3.10 1.30 0.00
assign (resid 68 and name HN) (resid 64 and name O) 2.10 0.30 0.00
assign (resid 68 and name N) (resid 64 and name O) 3.10 1.30 0.00
assign (resid 69 and name HN) (resid 65 and name O) 2.10 0.30 0.00
assign (resid 69 and name N) (resid 65 and name O) 3.10 1.30 0.00
assign (resid 70 and name HN) (resid 66 and name O) 2.10 0.30 0.00
assign (resid 70 and name N) (resid 66 and name O) 3.10 1.30 0.00
!!###### Fourth helix (74-83)
!6030 120.150 5.304 8.612 null null 1258468 # 73HA-76N-HN 3.46962
assign (resid 73 and name HA) (resid 76 and name HN) 3.50 1.70 0.00
!6039 117.791 4.054 8.027 null null 1698059 # 74HA-78N-HN 3.30063
assign (resid 74 and name HA) (resid 78 and name HN) 4.10 2.30 0.00
!c8524 63.825 1.638 4.063 null null 73660 # 77HB-74CA-HA 3.91
assign (resid 74 and name HA) (resid 77 and name HN) 4.00 2.20 0.00
!c8462 19.051 4.063 0.612 null null 158308 # 74HA-77CG1-HG1 3.44
assign (resid 74 and name HA) (resid 77 and name HG*) 3.50 1.70 0.00
!6056 117.791 4.169 8.030 null null 2143494 # 75HA-78N-HN 3.17494
assign (resid 75 and name HA) (resid 78 and name HN) 3.30 1.50 0.00
!c8480 36.982 4.184 3.005 null null 142203 # 75HA-78CB-HB2 3.50
!c8481 36.982 4.184 2.848 null null 96399 # 75HA-78CB-HB3 3.74
assign (resid 75 and name HA) (resid 78 and name HB*) 3.50 1.70 0.00
!6070 121.094 4.149 8.217 null null 2818917 # 76HA-79N-HN 3.03325
assign (resid 76 and name HA) (resid 79 and name HN) 3.30 1.50 0.00
!c8508 27.331 4.176 2.324 null null 306016 # 76HA-79CB-HB2 3.08
assign (resid 76 and name HA) (resid 79 and name HB*) 3.50 1.70 0.00
!3577 0.000 -0.361 7.019 null null 12972 # 77HG2-80HD1 2.69
assign (resid 77 and name HG2*)(resid 80 and name HD*) 3.00 1.20 0.00
!6099 116.924 4.322 8.403 null null 2154435 # 78HA-81N-HN 3.17224
assign (resid 78 and name HA) (resid 81 and name HN) 3.30 1.50 0.00
!c8546 40.026 4.352 1.922 null null 56995 # 78HA-81CB-HB2 4.08
assign (resid 78 and name HA) (resid 81 and name HB*) 4.00 2.20 0.00
assign (resid 77 and name HN) (resid 73 and name O) 2.10 0.30 0.00
assign (resid 77 and name N) (resid 73 and name O) 3.10 0.30 0.00
assign (resid 78 and name HN) (resid 74 and name O) 2.10 0.30 0.00
assign (resid 78 and name N) (resid 74 and name O) 3.10 0.30 0.00
assign (resid 79 and name HN) (resid 75 and name O) 2.10 0.30 0.00
assign (resid 79 and name N) (resid 75 and name O) 3.10 1.30 0.00
assign (resid 80 and name HN) (resid 76 and name O) 2.10 0.30 0.00
assign (resid 80 and name N) (resid 76 and name O) 3.10 0.30 0.00
assign (resid 81 and name HN) (resid 77 and name O) 2.10 0.30 0.00
assign (resid 81 and name N) (resid 77 and name O) 3.10 0.30 0.00
!!###################### CONSTRAINTS INVOLVING THE AROMATIC RESIDUES
!!###### F18
! L14HD1-F18HE 1.011 6.889 23558 2.23808
assign (resid 18 and name HE*) (resid 14 and name HD1*) 2.50 0.70 1.00
! L14HD2-F18HZ 1.024 6.786 6818 2.75184
assign (resid 18 and name HD) (resid 14 and name HD2*) 3.00 1.20 1.00
! F18HA-F22HD 4.006 7.437 5928 2.81675
assign (resid 18 and name HA) (resid 22 and name HD*) 3.00 1.20 1.00
! F18HD-Y45HD 6.794 6.040 4057 3.00053
assign (resid 18 and name HD*) (resid 45 and name HE*) 3.00 1.20 1.00
! F18HD-Y45HE 6.785 6.499 5746 2.83143
assign (resid 18 and name HD*) (resid 45 and name HD*) 3.00 1.20 1.00
! L50HB2-F18HE 1.752 6.892 8859 2.63432
assign (resid 18 and name HE*) (resid 50 and name HB1) 3.00 1.20 1.00
! L50HB2-F18HZ 1.752 6.779 4926 2.90503
assign (resid 18 and name HZ) (resid 50 and name HB1) 3.00 1.20 1.00
! L50HD2-F18HZ 0.233 6.787 10939 2.54333
assign (resid 18 and name HZ) (resid 50 and name HD2*) 3.00 1.20 1.00
! L50HD2-F18HE 0.231 6.891 7736 2.69451
assign (resid 18 and name HE*) (resid 50 and name HD2*) 3.00 1.20 1.00
! A53HB-F18HE 1.682 6.892 16820 2.36735
assign (resid 18 and name HE*) (resid 53 and name HB*) 2.50 0.70 1.00
! A53HB-F18HZ 1.683 6.777 22804 2.25025
assign (resid 18 and name HZ) (resid 53 and name HB*) 2.50 0.70 1.00
! F18HA-F64HE 4.006 6.223 4623 2.93593
assign (resid 18 and name HA) (resid 64 and name HE*) 3.00 1.20 1.00
! F18HA-F64HZ 4.009 5.652 11159 2.53491
assign (resid 18 and name HA) (resid 64 and name HZ) 3.00 1.20 1.00
! F18HD-F64HZ 6.783 5.652 6938 2.74385
assign (resid 18 and name HD*) (resid 64 and name HZ) 3.00 1.20 1.00
!!###### F22
! I25HD1-F22HD -0.261 7.438 6830 2.75103
assign (resid 22 and name HD*) (resid 25 and name HD*) 3.00 1.20 1.00
! F22HD-Y45HE 7.441 6.501 2486 3.25574
assign (resid 22 and name HD*) (resid 25 and name HE*) 3.50 1.70 1.00
! Y45HD-F22HD 6.037 7.441 4426 2.95732
assign (resid 22 and name HD*) (resid 25 and name HD*) 3.00 1.20 1.00
! F22HE-Y45HD 6.725 6.040 3072 3.14289
assign (resid 22 and name HE*) (resid 25 and name HD*) 3.20 1.40 1.00
! F22HZ-Y45HD 6.187 6.040 5248 2.87453
assign (resid 22 and name HZ) (resid 25 and name HD*) 3.00 1.20 1.00
! F22HD-F64HE 7.443 6.217 3162 3.1278
assign (resid 22 and name HD*) (resid 64 and name HE*) 3.20 1.40 1.00
! F22HE-F64HE 6.726 6.220 10172 2.57434
assign (resid 22 and name HE*) (resid 64 and name HE*) 3.00 1.20 1.00
! F22HE-F64HZ 6.718 5.652 4961 2.9016
assign (resid 22 and name HE*) (resid 64 and name HZ) 3.00 1.20 1.00
!!###### F41
! I29HD1-F41HE 0.708 7.010 14086 2.43838
assign (resid 41 and name HE*) (resid 29 and name HD1*) 2.50 0.70 1.00
! I29HD1-F41HZ 0.711 6.836 7447 2.71166
assign (resid 41 and name HZ) (resid 29 and name HD1*) 3.00 1.20 1.00
! I29HG2-F41HE 0.071 7.012 10281 2.56977
assign (resid 41 and name HE*) (resid 29 and name HG2*) 3.00 1.20 1.00
! I29HG2-F41HZ 0.066 6.837 8103 2.67378
assign (resid 41 and name HZ) (resid 29 and name HG2*) 3.00 1.20 1.00
! L43HD2-F41HE 0.997 7.008 12908 2.47413
assign (resid 41 and name HE*) (resid 43 and name HD2*) 2.50 0.70 1.00
! V74HA-F41HE 4.074 7.010 16576 2.37312
assign (resid 41 and name HE*) (resid 74 and name HA) 2.50 0.70 1.00
! V74HA-F41HZ 4.073 6.836 13398 2.45882
assign (resid 41 and name HZ) (resid 74 and name HA) 2.50 0.70 1.00
! V77HG1-F41HE 0.602 7.013 11814 2.51092
assign (resid 41 and name HE*) (resid 77 and name HG1*) 3.00 1.20 1.00
! V77HG1-F41HZ 0.594 6.836 10276 2.56997
assign (resid 41 and name HZ) (resid 77 and name HG1*) 3.00 1.20 1.00
! V77HG2-F41HD -0.356 6.883 9539 2.60205
assign (resid 41 and name HD*) (resid 77 and name HG2*) 3.00 1.20 1.00
! V77HG2-F41HE -0.361 7.017 12972 2.47209
assign (resid 41 and name HE*) (resid 77 and name HG2*) 2.50 0.70 1.00
! V77HG2-F41HZ -0.359 6.839 8383 2.65868
assign (resid 41 and name HZ) (resid 77 and name HG2*) 3.00 1.20 1.00
! L129HD2-F41HD 0.504 6.883 11561 2.52
assign (resid 41 and name HD*) (resid 129 and name HD2*) 2.50 0.70 1.00
! L129HD2-F41HE 0.502 7.006 7182 2.72809
assign (resid 41 and name HE*) (resid 129 and name HD2*) 3.00 1.20 1.00
!!###### Y45
! E19HA-Y45HE 4.279 6.499 8909 2.63185
assign (resid 45 and name HE*) (resid 19 and name HA) 3.00 1.20 1.00
! L50HB3-Y45HD 1.111 6.040 4885 2.90908
assign (resid 45 and name HD*) (resid 50 and name HB2) 3.00 1.20 1.00
! L50HB3-Y45HE 1.120 6.500 5860 2.82217
assign (resid 45 and name HE*) (resid 50 and name HB2) 3.00 1.20 1.00
! L50HD1-Y45HE 0.669 6.499 15203 2.40756
assign (resid 45 and name HE*) (resid 50 and name HD1*) 2.50 0.70 1.00
! L50HD2-Y45HD 0.231 6.040 3437 3.08463
assign (resid 45 and name HD*) (resid 50 and name HD2*) 3.20 1.40 1.00
! L50HD2-Y45HE 0.236 6.500 7989 2.6801
assign (resid 45 and name HE*) (resid 50 and name HD2*) 3.00 1.20 1.00
! Q47HA-Y45HE 3.940 6.500 3447 3.08314
assign (resid 45 and name HE*) (resid 47 and name HA) 3.20 1.40 1.00
!!###### Y62
! L66HG-Y62HE 1.382 6.714 5448 2.85667
assign (resid 62 and name HE*) (resid 66 and name HG) 3.00 1.20 1.00
! L111HD1-Y62HD 0.108 7.290 9853 2.58804
assign (resid 62 and name HD*) (resid 111 and name HD2*) 2.70 0.90 1.00
! L111HD1-Y62HE 0.105 6.715 9311 2.61256
assign (resid 62 and name HE*) (resid 111 and name HD2*) 2.80 1.00 1.00
! L111HD2-Y62HD 0.581 7.289 9261 2.61491
assign (resid 62 and name HD*) (resid 111 and name HD1*) 2.80 1.00 1.00
! L111HD2-Y62HE 0.583 6.713 5892 2.81961
assign (resid 62 and name HE*) (resid 111 and name HD1*) 3.00 1.20 1.00
! I136HD1-Y62HD 1.048 7.285 14471 2.42745
assign (resid 62 and name HD*) (resid 136 and name HD1*) 2.50 0.70 1.00
! I136HD1-Y62HE 1.049 6.716 22151 2.26117
assign (resid 62 and name HE*) (resid 136 and name HD1*) 2.50 0.70 1.00
! I136HG12-Y62HE 1.139 6.719 8658 2.64442
assign (resid 62 and name HE*) (resid 136 and name HG1*) 3.00 1.20 1.00
!!###### F64
! F64HA-F67HD 4.437 7.174 6868 2.74849
assign (resid 64 and name HA) (resid 67 and name HD*) 3.00 1.20 1.00
! F64HB2-F67HE 3.241 7.319 14363 2.43048
assign (resid 64 and name HB1) (resid 67 and name HE*) 2.50 1.20 1.00
! F64HB2-H68HD2 3.238 7.457 12021 2.50366
assign (resid 64 and name HB1) (resid 68 and name HD2) 2.60 0.80 1.00
! F64HB1-H68HD2 3.130 7.455 9903 2.58586
assign (resid 64 and name HB2) (resid 68 and name HD2) 2.60 0.80 1.00
! Q24HB3-F64HD 2.312 6.920 5379 2.86274
assign (resid 64 and name HD*) (resid 24 and name HB*) 3.00 1.20 1.00
! I25HD1-F64HD -0.259 6.919 9683 2.59556
assign (resid 64 and name HD*) (resid 25 and name HD*) 2.80 1.00 1.00
! I25HD1-F64HE -0.268 6.219 5195 2.8794
assign (resid 64 and name HE*) (resid 25 and name HD2*) 3.00 1.20 1.00
! T61HA-F64HD 4.056 6.918 9401 2.60838
assign (resid 64 and name HD*) (resid 61 and name HA) 3.00 1.20 1.00
! F64HD-F67HD 6.917 7.175 8200 2.66848
assign (resid 64 and name HD*) (resid 67 and name HD*) 3.00 1.20 1.00
! F64HD-H68HD2 6.919 7.456 4892 2.90838
assign (resid 64 and name HD*) (resid 68 and name HD2) 3.00 1.20 1.00
!!###### F67
! I25HD1-F67HD -0.263 7.175 6937 2.74392
assign (resid 67 and name HD*) (resid 25 and name HD1*) 3.00 1.20 1.00
! V63HG2-F67HE 0.655 7.322 18666 2.32661
assign (resid 67 and name HE*) (resid 63 and name HG2*) 2.50 0.70 1.00
! L113HD1-F67HD 0.821 7.175 14406 2.42927
! L113HD2-F67HD 0.387 7.170 7540 2.70606
assign (resid 67 and name HD*) (resid 113 and name HD*) 3.00 1.20 1.00
! L113HD2-F67HE 0.389 7.320 10385 2.56546
assign (resid 67 and name HE*) (resid 113 and name HD*) 3.00 1.20 1.00
!!###### H68
! Q24HB3-H68HE1 2.316 7.904 12569 2.48513
assign (resid 68 and name HE1) (resid 24 and name HB*) 2.50 0.70 1.00
! Q24HG3-H68HE1 2.528 7.905 14050 2.43942
assign (resid 68 and name HE1) (resid 24 and name HG*) 2.50 0.70 1.00
! I25HA-H68HE1 3.628 7.904 7186 2.72784
assign (resid 68 and name HE1) (resid 25 and name HA) 3.00 1.20 1.00
! I25HD1-H68HE1 -0.260 7.904 4751 2.9226
assign (resid 68 and name HE1) (resid 25 and name HD1*) 3.00 1.20 1.00
! I25HG11-H68HE1 1.119 7.906 4477 2.95167
assign (resid 68 and name HE1) (resid 25 and name HG11) 3.00 1.20 1.00
! I25HG12-H68HE1 -0.105 7.904 7601 2.70243
assign (resid 68 and name HE1) (resid 25 and name HG12) 2.80 1.00 1.00
! E65HA-H68HD2 4.177 7.457 11288 2.53006
assign (resid 68 and name HD2) (resid 25 and name HA) 2.70 0.90 1.00
!!###### H73
! D72HB2-H73HD2 2.654 7.507 9193 2.61812
assign (resid 73 and name HD2) (resid 72 and name HB2) 3.00 1.20 1.00
! I150HD1-H73HD2 0.374 7.505 3568 3.06546
assign (resid 73 and name HD2) (resid 150 and name HD1*) 3.50 1.70 1.00
! I150HD1-H73HE1 0.369 8.571 4312 2.9702
assign (resid 73 and name HE1) (resid 150 and name HD1*) 3.00 1.20 1.00
! T152HG2-H73HD2 0.626 7.507 10018 2.58089
assign (resid 73 and name HD2) (resid 152 and name HG2*) 3.00 1.20 1.00
!!###### F80
! L104HD1-F80HD 0.240 7.029 8135 2.67202
assign (resid 80 and name HD*) (resid 104 and name HD2*) 3.00 1.20 1.00
! L104HD1-F80HEZ 0.238 7.089 5740 2.83192
assign (resid 80 and name HE*) (resid 104 and name HD2*) 3.00 1.20 1.00
! L104HD2-F80HD 0.163 7.023 10398 2.56492
assign (resid 80 and name HD*) (resid 104 and name HD1*) 2.70 0.90 1.00
! V117HG1-F80HD 1.081 7.028 17948 2.34187
assign (resid 80 and name HD*) (resid 117 and name HG1*) 2.50 0.70 1.00
! V117HG1-F80HEZ 1.087 7.086 24286 2.22676
assign (resid 80 and name HE*) (resid 117 and name HG1*) 2.50 0.70 1.00
!!###### W112
! T107HG2-W112HH2 0.041 6.925 8781 2.63821
assign (resid 112 and name HH2) (resid 107 and name HG2*) 3.00 1.20 1.00
! T107HG2-W112HZ2 0.039 7.404 7998 2.6796
assign (resid 112 and name HZ2) (resid 107 and name HG2*) 3.00 1.20 1.00
!!###### F115
! V77HB-F115HE 1.609 7.261 12509 2.48711
assign (resid 115 and name HE*) (resid 77 and name HB) 2.50 0.70 1.00
! L104HD2-F115HD 0.162 7.111 8510 2.65203
assign (resid 115 and name HD*) (resid 104 and name HD1*) 3.00 1.20 1.00
! I106HD1-F115HD 0.421 7.122 8024 2.67815
assign (resid 115 and name HD*) (resid 106 and name HD1*) 3.00 1.20 1.00
! I106HD1-F115HE 0.417 7.262 15654 2.39586
assign (resid 115 and name HE*) (resid 106 and name HD1*) 2.50 0.70 1.00
! I106HG11-F115HE 1.438 7.263 7305 2.72038
assign (resid 115 and name HE*) (resid 106 and name HG11) 3.00 1.20 1.00
! I106HG12-F115HD 1.003 7.116 7436 2.71233
assign (resid 115 and name HD*) (resid 106 and name HG12) 3.00 1.20 1.00
! I106HG12-F115HE 0.999 7.261 7909 2.6846
assign (resid 115 and name HE*) (resid 106 and name HG12) 3.00 1.20 1.00
! L113HB2-F115HE 1.916 7.260 6456 2.77698
assign (resid 115 and name HE*) (resid 113 and name HB*) 3.00 1.20 1.00
! L113HD1-F115HE 0.824 7.262 7176 2.72847
assign (resid 115 and name HE*) (resid 113 and name HD1*) 3.00 1.20 1.00
! L113HD2-F115HE 0.387 7.263 13224 2.46418
assign (resid 115 and name HE*) (resid 113 and name HD2*) 2.50 0.70 1.00
! L113HD2-F115HZ 0.392 6.992 9696 2.59498
assign (resid 115 and name HZ) (resid 113 and name HD2*) 3.00 1.20 1.00
! L129HD2-F115HD 0.503 7.121 5369 2.86363
assign (resid 115 and name HD*) (resid 129 and name HD2*) 3.00 1.20 1.00
!!###### Supplementary effects
! I136HD1-A53CB-HB 0.994 15.860 1.631 379748
assign (resid 53 and name HB*) (resid 136 and name HD*) 3.00 1.20 0.00
! I135HD1-A53CB-HB 0.761 15.932 1.633 155629
assign (resid 53 and name HB*) (resid 135 and name HD*) 4.00 2.20 0.00
R140HD-I58CD1-HD1 2.343 11.629 0.753 141487
assign (resid 58 and name HD*) (resid 140 and name HD*) 4.00 2.20 0.00
! E60HB1-L141CD1-HD1 2.093 21.212 0.882 163294
assign (resid 60 and name HB1) (resid 141 and name HD1*) 4.00 2.20 0.00
! E60HB2-L141CD1-HD1 1.665 21.212 0.892 369197
assign (resid 60 and name HB2) (resid 141 and name HD1*) 3.00 1.20 0.00
! L50HD1-A134CB-HB 0.610 19.224 1.048 403228
assign (resid 134 and name HB*) (resid 50 and name HD*) 3.00 1.20 1.00
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