Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type | subtype | subsubtype |
|
|
2109 | 1bf0 RC | cing | recoord | dress | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! peak number d 442 F1= 4.168 F2= 3.435 null null d= 2.9
assi (( resid 1 and name HA))
(( resid 1 and name HB2))
2.9 1.29 1.29
! peak number d 443 F1= 4.155 F2= 3.221 null null d= 3.1
assi (( resid 1 and name HA))
(( resid 1 and name HB3))
3.1 0.77 0.77
! peak number d 988 F1= 1.062 F2= 3.235 null null d= 4.5
assi (( resid 1 and name HB3))
(( resid 60 and name HG*))
4.5 1.13 1.13
! peak number d 1109 F1= 3.888 F2= 7.254 null null d= 3.9
assi (( resid 1 and name HD1))
(( resid 4 and name HD2))
3.9 0.96 0.96
! peak number d 753 F1= 7.248 F2= 3.687 null null d= 3.6
assi (( resid 1 and name HD1))
(( resid 4 and name HD3))
3.6 0.90 0.90
! peak number d 764 F1= 7.249 F2= 4.946 null null d= 3.6
assi (( resid 1 and name HD1))
(( resid 57 and name HA))
3.6 0.90 0.90
! peak number h 288 F1= 7.250 F2= 9.939 null null d= 2.6
assi (( resid 1 and name HE1))
(( resid 1 and name HD1))
2.6 0.65 0.65
! peak number h 248 F1= 7.260 F2= 6.921 null null d= 2.4
assi (( resid 1 and name HE3))
(( resid 1 and name HZ3))
2.4 0.60 0.60
! peak number d 1023 F1= 7.240 F2= 4.549 null null d= 4.0
assi (( resid 1 and name HE3))
(( resid 58 and name HA))
4.0 1.00 1.00
! peak number d 773 F1= 7.238 F2= 4.177 null null d= 3.5
assi (( resid 1 and name HE3) or ( resid 1 and name HD1))
(( resid 1 and name HA))
3.5 0.88 0.88
! peak number d 134 F1= 7.240 F2= 3.436 null null d= 3.2
assi (( resid 1 and name HE3) or ( resid 1 and name HD1))
(( resid 1 and name HB2))
3.2 0.81 0.81
! peak number d 146 F1= 7.237 F2= 3.219 null null d= 3.5
assi (( resid 1 and name HE3) or ( resid 1 and name HD1))
(( resid 1 and name HB3))
3.5 0.88 0.88
! peak number d 125 F1= 7.250 F2= 4.105 null null d= 3.3
assi (( resid 1 and name HE3) or ( resid 1 and name HD1))
(( resid 3 and name HA))
3.3 0.84 0.84
! peak number d 242 F1= 4.151 F2= 7.252 null null d= 3.4
assi (( resid 1 and name HE3) or ( resid 1 and name HD1))
(( resid 56 and name HA) or ( resid 1 and name HA))
3.4 0.85 0.85
! peak number d 1403 F1= 3.025 F2= 7.229 null null d= 4.1
assi (( resid 1 and name HE3) or ( resid 1 and name HD1))
(( resid 59 and name HA1))
4.1 1.02 1.02
! peak number d 162 F1= 7.241 F2= 2.479 null null d= 3.5
assi (( resid 1 and name HE3) or ( resid 1 and name HD1))
(( resid 59 and name HA2))
3.5 0.88 0.88
! peak number h 1071 F1= 1.790 F2= 6.909 null null d= 4.5
assi (( resid 1 and name HH2))
(( resid 3 and name HB3))
4.5 1.90 1.90
! peak number d 1242 F1= 6.940 F2= 3.226 null null d= 4.1
assi (( resid 1 and name HH2))
(( resid 30 and name HA) or ( resid 1 and name HB3))
4.1 1.02 1.02
! peak number d 289 F1= 2.471 F2= 6.931 null null d= 3.2
assi (( resid 1 and name HH2))
(( resid 30 and name HE3) or ( resid 3 and name HB2))
3.2 0.80 0.80
! peak number d 544 F1= 7.380 F2= 6.944 null null d= 2.5
assi (( resid 1 and name HZ2))
(( resid 1 and name HH2))
2.5 0.63 0.63
! peak number d 751 F1= 7.380 F2= 3.428 null null d= 5.0
assi (( resid 1 and name HZ2))
(( resid 27 and name HB2) or ( resid 1 and name HB2))
5.0 2.60 2.60
! peak number d 1110 F1= 3.873 F2= 7.371 null null d= 2.8
assi (( resid 1 and name HZ2))
(( resid 4 and name HD2))
2.8 0.70 0.70
! peak number d 769 F1= 6.915 F2= 4.111 null null d= 3.5
assi (( resid 1 and name HZ3) or ( resid 1 and name HH2))
(( resid 3 and name HA))
3.5 0.86 0.86
! peak number d 742 F1= 6.924 F2= 2.203 null null d= 3.3
assi (( resid 1 and name HZ3) or ( resid 1 and name HH2))
(( resid 3 and name HG2))
3.3 0.82 0.82
! peak number d 163 F1= 6.920 F2= 2.481 null null d= 3.1
assi (( resid 1 and name HZ3) or ( resid 1 and name HH2))
(( resid 30 and name HE3) or ( resid 3 and name HB2))
3.1 0.78 0.78
! peak number d 934 F1= 6.916 F2= 4.937 null null d= 3.8
assi (( resid 1 and name HZ3) or ( resid 1 and name HH2))
(( resid 57 and name HA))
3.8 0.95 0.95
! peak number h 851 F1= 6.925 F2= 1.441 null null d= 3.6
assi (( resid 1 and name HZ3) or ( resid 1 and name HH2))
(( resid 58 and name HG))
3.6 0.90 0.90
! peak number d 400 F1= 4.645 F2= 2.343 null null d= 2.5
assi (( resid 10 and name HA))
(( resid 10 and name HB*))
2.5 0.62 0.62
! peak number d 343 F1= 1.913 F2= 4.656 null null d= 3.0
assi (( resid 10 and name HA))
(( resid 10 and name HG3))
3.0 0.80 0.80
! peak number d 460 F1= 3.797 F2= 2.138 null null d= 2.9
assi (( resid 10 and name HD2))
(( resid 10 and name HG2))
2.9 0.72 0.72
! peak number d 466 F1= 3.796 F2= 1.886 null null d= 2.8
assi (( resid 10 and name HD2))
(( resid 10 and name HG3))
2.8 0.70 0.70
! peak number d 454 F1= 3.802 F2= 2.252 null null d= 3.6
assi (( resid 10 and name HD2))
(( resid 9 and name HG2))
3.6 0.91 0.91
! peak number h 1002 F1= 3.686 F2= 2.123 null null d= 3.4
assi (( resid 10 and name HD3))
(( resid 10 and name HG2))
3.4 0.84 0.84
! peak number d 523 F1= 2.248 F2= 3.688 null null d= 2.7
assi (( resid 10 and name HD3))
(( resid 9 and name HG2))
2.7 0.68 0.68
! peak number d 376 F1= 3.895 F2= 0.451 null null d= 2.7
assi (( resid 11 and name HA))
(( resid 11 and name HB))
2.7 0.68 0.68
! peak number d 372 F1= 0.319 F2= 3.904 null null d= 3.5
assi (( resid 11 and name HA))
(( resid 11 and name HG1*))
3.5 0.88 0.88
! peak number d 369 F1= -0.729 F2= 3.907 null null d= 2.6
assi (( resid 11 and name HA))
(( resid 11 and name HG2*))
2.6 0.65 0.65
! peak number d 696 F1= -0.725 F2= 0.448 null null d= 2.4
assi (( resid 11 and name HB))
(( resid 11 and name HG2*))
2.4 0.60 0.60
! peak number d 695 F1= -0.725 F2= 0.324 null null d= 2.4
assi (( resid 11 and name HG1*))
(( resid 11 and name HG2*))
2.4 0.60 0.60
! peak number h 826 F1= 7.704 F2= 2.340 null null d= 4.5
assi (( resid 11 and name HN))
(( resid 10 and name HB*))
4.5 1.13 1.13
! peak number h 390 F1= 0.449 F2= 7.705 null null d= 2.7
assi (( resid 11 and name HN))
(( resid 11 and name HB))
2.7 0.68 0.68
! peak number h 391 F1= 0.322 F2= 7.703 null null d= 2.5
assi (( resid 11 and name HN))
(( resid 11 and name HG1*))
2.5 0.62 0.62
! peak number d 1090 F1= 4.677 F2= 0.325 null null d= 3.6
assi (( resid 12 and name HA))
(( resid 11 and name HG1*))
3.6 0.90 0.90
! peak number d 1088 F1= 4.695 F2= -0.714 null null d= 4.0
assi (( resid 12 and name HA))
(( resid 11 and name HG2*))
4.0 1.00 1.00
! peak number d 344 F1= 1.841 F2= 4.703 null null d= 2.9
assi (( resid 12 and name HA))
(( resid 12 and name HB2))
2.9 0.71 0.71
! peak number d 367 F1= 1.502 F2= 4.697 null null d= 3.2
assi (( resid 12 and name HA))
(( resid 12 and name HB3))
3.2 0.80 0.80
! peak number d 339 F1= 3.194 F2= 4.699 null null d= 2.6
assi (( resid 12 and name HA))
(( resid 12 and name HD*))
2.6 0.66 0.66
! peak number d 366 F1= 1.598 F2= 4.677 null null d= 2.4
assi (( resid 12 and name HA))
(( resid 12 and name HG3))
2.4 0.60 0.60
! peak number d 1350 F1= 1.828 F2= -0.720 null null d= 3.8
assi (( resid 12 and name HB2))
(( resid 11 and name HG2*))
3.8 0.95 0.95
! peak number d 1119 F1= 3.185 F2= 1.636 null null d= 2.5
assi (( resid 12 and name HD*))
(( resid 12 and name HG2))
2.5 0.62 0.62
! peak number h 488 F1= 7.173 F2= 3.191 null null d= 3.5
assi (( resid 12 and name HE))
(( resid 12 and name HD*))
3.5 0.86 0.86
! peak number h 1074 F1= 7.170 F2= 1.613 null null d= 4.5
assi (( resid 12 and name HE))
(( resid 12 and name HG3))
4.5 1.13 1.13
! peak number h 131 F1= 7.759 F2= 3.902 null null d= 2.3
assi (( resid 12 and name HN))
(( resid 11 and name HA))
2.3 0.57 0.57
! peak number h 308 F1= 7.750 F2= -0.724 null null d= 2.8
assi (( resid 12 and name HN))
(( resid 11 and name HG2*))
2.8 0.70 0.70
! peak number h 844 F1= 7.753 F2= 1.843 null null d= 3.3
assi (( resid 12 and name HN))
(( resid 12 and name HB2))
3.3 0.84 0.84
! peak number h 658 F1= 7.750 F2= 1.525 null null d= 3.3
assi (( resid 12 and name HN))
(( resid 12 and name HB3))
3.3 0.84 0.84
! peak number d 419 F1= 4.262 F2= 1.561 null null d= 2.5
assi (( resid 13 and name HA))
(( resid 13 and name HG1*))
2.5 0.62 0.62
! peak number h 1045 F1= 8.727 F2= -0.729 null null d= 4.0
assi (( resid 13 and name HN))
(( resid 11 and name HG2*))
4.0 1.00 1.00
! peak number h 429 F1= 8.733 F2= 4.697 null null d= 2.1
assi (( resid 13 and name HN))
(( resid 12 and name HA))
2.1 0.53 0.53
! peak number h 1083 F1= 8.726 F2= 3.189 null null d= 4.6
assi (( resid 13 and name HN))
(( resid 12 and name HD*))
4.6 1.15 1.15
! peak number h 28 F1= 8.728 F2= 4.263 null null d= 3.1
assi (( resid 13 and name HN))
(( resid 13 and name HA))
3.1 0.78 0.78
! peak number h 37 F1= 8.732 F2= 2.041 null null d= 2.5
assi (( resid 13 and name HN))
(( resid 13 and name HB))
2.5 0.62 0.62
! peak number h 838 F1= 8.732 F2= 1.071 null null d= 4.3
assi (( resid 13 and name HN))
(( resid 13 and name HD1*))
4.3 1.30 1.30
! peak number h 41 F1= 8.728 F2= 1.558 null null d= 3.0
assi (( resid 13 and name HN))
(( resid 13 and name HG1*))
3.0 0.76 0.76
! peak number h 452 F1= 8.730 F2= 1.299 null null d= 3.6
assi (( resid 13 and name HN))
(( resid 13 and name HG2*))
3.6 1.00 1.00
! peak number h 763 F1= 8.603 F2= 8.735 null null d= 2.3
assi (( resid 13 and name HN))
(( resid 14 and name HN))
2.3 0.57 0.57
! peak number d 2 F1= 5.260 F2= 3.929 null null d= 2.2
assi (( resid 14 and name HA1))
(( resid 14 and name HA2))
2.2 0.75 0.75
! peak number d 1060 F1= 5.264 F2= 4.086 null null d= 3.5
assi (( resid 14 and name HA1))
(( resid 41 and name HA1))
3.5 0.88 0.88
! peak number h 38 F1= 8.598 F2= 2.030 null null d= 3.1
assi (( resid 14 and name HN))
(( resid 13 and name HB))
3.1 0.79 0.79
! peak number h 438 F1= 8.598 F2= 5.254 null null d= 3.3
assi (( resid 14 and name HN))
(( resid 14 and name HA1))
3.3 0.82 0.82
! peak number h 518 F1= 3.925 F2= 8.599 null null d= 2.7
assi (( resid 14 and name HN))
(( resid 14 and name HA2))
2.7 0.69 0.69
! peak number h 796 F1= 8.600 F2= 4.266 null null d= 3.4
assi (( resid 14 and name HN))
(( resid 42 and name HA1) or ( resid 13 and name HA))
3.4 0.85 0.85
! peak number d 1394 F1= 4.063 F2= 3.818 null null d= 1.8
assi (( resid 15 and name HB2))
(( resid 15 and name HB3))
1.8 0.45 0.45
! peak number h 201 F1= 7.320 F2= 5.271 null null d= 2.9
assi (( resid 15 and name HN))
(( resid 14 and name HA1))
2.9 0.72 0.72
! peak number h 753 F1= 3.926 F2= 7.324 null null d= 3.5
assi (( resid 15 and name HN))
(( resid 14 and name HA2))
3.5 0.89 0.89
! peak number d 30 F1= 4.836 F2= 2.609 null null d= 3.3
assi (( resid 16 and name HA))
(( resid 16 and name HB3))
3.3 0.82 0.82
! peak number d 1086 F1= 4.833 F2= 1.416 null null d= 3.9
assi (( resid 16 and name HA))
(( resid 17 and name HG3))
3.9 0.97 0.97
! peak number d 593 F1= 3.442 F2= 2.616 null null d= 1.8
assi (( resid 16 and name HB2))
(( resid 16 and name HB3))
1.8 0.45 0.45
! peak number h 212 F1= 8.044 F2= 7.310 null null d= 3.0
assi (( resid 16 and name HN))
(( resid 15 and name HN))
3.0 0.76 0.76
! peak number h 444 F1= 8.042 F2= 4.836 null null d= 3.0
assi (( resid 16 and name HN))
(( resid 16 and name HA))
3.0 0.75 0.75
! peak number h 347 F1= 2.615 F2= 8.038 null null d= 2.8
assi (( resid 16 and name HN))
(( resid 16 and name HB3))
2.8 0.70 0.70
! peak number h 83 F1= 8.040 F2= 3.820 null null d= 3.1
assi (( resid 16 and name HN))
(( resid 38 and name HB2))
3.1 0.78 0.78
! peak number d 401 F1= 4.633 F2= 2.125 null null d= 2.5
assi (( resid 17 and name HA))
(( resid 17 and name HD*))
2.5 0.62 0.62
! peak number d 1085 F1= 4.638 F2= 1.415 null null d= 3.2
assi (( resid 17 and name HA))
(( resid 17 and name HG3))
3.2 0.80 0.80
! peak number d 1065 F1= 4.645 F2= 3.819 null null d= 2.8
assi (( resid 17 and name HA) or ( resid 10 and name HA))
(( resid 38 and name HB2) or ( resid 10 and name HD2))
2.8 0.70 0.70
! peak number d 1122 F1= 2.949 F2= 1.597 null null d= 2.7
assi (( resid 17 and name HE*))
(( resid 17 and name HB*))
2.7 0.68 0.68
! peak number h 436 F1= 8.492 F2= 4.847 null null d= 2.7
assi (( resid 17 and name HN))
(( resid 16 and name HA))
2.7 0.68 0.68
! peak number h 326 F1= 3.464 F2= 8.478 null null d= 2.5
assi (( resid 17 and name HN))
(( resid 16 and name HB2))
2.5 0.61 0.61
! peak number h 455 F1= 8.483 F2= 2.608 null null d= 3.1
assi (( resid 17 and name HN))
(( resid 16 and name HB3))
3.1 0.79 0.79
! peak number h 631 F1= 8.478 F2= 4.635 null null d= 3.0
assi (( resid 17 and name HN))
(( resid 17 and name HA))
3.0 0.75 0.75
! peak number h 54 F1= 8.484 F2= 1.588 null null d= 2.7
assi (( resid 17 and name HN))
(( resid 17 and name HB*))
2.7 0.68 0.68
! peak number h 840 F1= 8.477 F2= 2.108 null null d= 3.8
assi (( resid 17 and name HN))
(( resid 17 and name HD*))
3.8 1.00 1.00
! peak number h 449 F1= 8.478 F2= 1.290 null null d= 3.8
assi (( resid 17 and name HN))
(( resid 17 and name HG2))
3.8 1.60 1.60
! peak number h 650 F1= 8.478 F2= 1.397 null null d= 3.4
assi (( resid 17 and name HN))
(( resid 17 and name HG3))
3.4 0.85 0.85
! peak number h 219 F1= 8.485 F2= 7.784 null null d= 3.0
assi (( resid 17 and name HN))
(( resid 18 and name HN))
3.0 0.74 0.74
! peak number d 1369 F1= 2.962 F2= 1.425 null null d= 3.5
assi (( resid 18 and name HE*) or ( resid 17 and name HE*))
(( resid 18 and name HG3) or ( resid 17 and name HG3))
3.5 0.88 0.88
! peak number h 823 F1= 7.790 F2= 4.348 null null d= 3.4
assi (( resid 18 and name HN))
(( resid 18 and name HA))
3.4 0.85 0.85
! peak number h 464 F1= 7.786 F2= 1.394 null null d= 2.9
assi (( resid 18 and name HN))
(( resid 18 and name HB*))
2.9 0.72 0.72
! peak number h 845 F1= 7.785 F2= 1.288 null null d= 3.4
assi (( resid 18 and name HN))
(( resid 18 and name HG2) or ( resid 17 and name HG2))
3.4 0.85 0.85
! peak number h 824 F1= 7.787 F2= 4.474 null null d= 3.1
assi (( resid 18 and name HN))
(( resid 38 and name HA))
3.1 0.78 0.78
! peak number d 411 F1= 4.245 F2= 1.698 null null d= 2.6
assi (( resid 19 and name HA))
(( resid 19 and name HB3))
2.6 0.65 0.65
! peak number d 382 F1= 4.246 F2= 0.956 null null d= 3.2
assi (( resid 19 and name HA))
(( resid 36 and name HB3))
3.2 0.81 0.81
! peak number d 1082 F1= 4.261 F2= 1.078 null null d= 4.0
assi (( resid 19 and name HA) or ( resid 13 and name HA))
(( resid 13 and name HD1*))
4.0 1.00 1.00
! peak number d 408 F1= 4.258 F2= 1.309 null null d= 2.5
assi (( resid 19 and name HA) or ( resid 13 and name HA))
(( resid 13 and name HG2*))
2.5 0.62 0.62
! peak number d 657 F1= 1.298 F2= 4.267 null null d= 2.7
assi (( resid 19 and name HA) or ( resid 13 and name HA))
(( resid 18 and name HG2) or ( resid 13 and name HG2*))
2.7 0.68 0.68
! peak number d 394 F1= 4.251 F2= 2.059 null null d= 2.6
assi (( resid 19 and name HA) or ( resid 13 and name HA))
(( resid 19 and name HG3) or ( resid 13 and name HB))
2.6 0.65 0.65
! peak number d 893 F1= 1.074 F2= 1.823 null null d= 2.1
assi (( resid 19 and name HB2))
(( resid 13 and name HD1*))
2.1 0.53 0.53
! peak number d 981 F1= 0.831 F2= 1.837 null null d= 2.4
assi (( resid 19 and name HB2))
(( resid 36 and name HD1*))
2.4 0.60 0.60
! peak number d 837 F1= 1.830 F2= 0.682 null null d= 3.3
assi (( resid 19 and name HB2))
(( resid 36 and name HD2*))
3.3 0.82 0.82
! peak number h 229 F1= 7.411 F2= 6.683 null null d= 1.9
assi (( resid 19 and name HE22))
(( resid 19 and name HE21))
1.9 0.46 0.46
! peak number h 696 F1= 7.410 F2= 2.066 null null d= 4.8
assi (( resid 19 and name HE22))
(( resid 19 and name HG3))
4.8 1.20 1.20
! peak number d 974 F1= 0.798 F2= 2.067 null null d= 3.4
assi (( resid 19 and name HG3))
(( resid 36 and name HD1*))
3.4 0.85 0.85
! peak number d 1354 F1= 0.684 F2= 2.077 null null d= 3.6
assi (( resid 19 and name HG3) or ( resid 19 and name HG2))
(( resid 36 and name HD2*))
3.6 0.90 0.90
! peak number h 136 F1= 7.612 F2= 4.342 null null d= 2.7
assi (( resid 19 and name HN))
(( resid 18 and name HA))
2.7 0.68 0.68
! peak number h 568 F1= 1.380 F2= 7.607 null null d= 3.3
assi (( resid 19 and name HN))
(( resid 18 and name HB*))
3.3 0.82 0.82
! peak number h 57 F1= 7.620 F2= 1.260 null null d= 2.5
assi (( resid 19 and name HN))
(( resid 18 and name HG2))
2.5 0.62 0.62
! peak number h 135 F1= 7.613 F2= 4.246 null null d= 3.6
assi (( resid 19 and name HN))
(( resid 19 and name HA))
3.6 0.90 0.90
! peak number h 47 F1= 7.609 F2= 1.821 null null d= 2.9
assi (( resid 19 and name HN))
(( resid 19 and name HB2))
2.9 0.72 0.72
! peak number h 1079 F1= 1.692 F2= 7.606 null null d= 4.3
assi (( resid 19 and name HN))
(( resid 19 and name HB3))
4.3 1.09 1.09
! peak number d 410 F1= 4.324 F2= 1.808 null null d= 2.8
assi (( resid 2 and name HA))
(( resid 2 and name HB2))
2.8 0.70 0.70
! peak number d 396 F1= 4.324 F2= 2.178 null null d= 3.4
assi (( resid 2 and name HA))
(( resid 2 and name HG*))
3.4 1.00 1.00
! peak number d 437 F1= 4.323 F2= 3.506 null null d= 2.4
assi (( resid 2 and name HA))
(( resid 3 and name HD2))
2.4 0.60 0.60
! peak number d 436 F1= 4.323 F2= 3.363 null null d= 2.7
assi (( resid 2 and name HA))
(( resid 3 and name HD3))
2.7 0.94 0.94
! peak number d 1075 F1= 4.323 F2= 2.036 null null d= 3.7
assi (( resid 2 and name HA))
(( resid 3 and name HG3))
3.7 0.93 0.93
! peak number h 230 F1= 7.690 F2= 6.897 null null d= 1.9
assi (( resid 2 and name HE21))
(( resid 2 and name HE22))
1.9 0.46 0.46
! peak number h 137 F1= 7.296 F2= 4.166 null null d= 2.9
assi (( resid 2 and name HN))
(( resid 1 and name HA))
2.9 0.71 0.71
! peak number h 504 F1= 7.297 F2= 4.333 null null d= 3.9
assi (( resid 2 and name HN))
(( resid 2 and name HA))
3.9 0.97 0.97
! peak number h 926 F1= 1.809 F2= 7.315 null null d= 3.6
assi (( resid 2 and name HN))
(( resid 2 and name HB2))
3.6 0.90 0.90
! peak number d 18 F1= 4.881 F2= 3.161 null null d= 2.4
assi (( resid 20 and name HA))
(( resid 20 and name HB2))
2.4 0.59 0.59
! peak number d 338 F1= 2.897 F2= 4.898 null null d= 3.0
assi (( resid 20 and name HA))
(( resid 20 and name HB3))
3.0 0.76 0.76
! peak number d 113 F1= 7.085 F2= 4.886 null null d= 3.0
assi (( resid 20 and name HD*))
(( resid 20 and name HA))
3.0 0.75 0.75
! peak number d 147 F1= 7.086 F2= 3.168 null null d= 3.6
assi (( resid 20 and name HD*))
(( resid 20 and name HB2))
3.6 0.89 0.89
! peak number d 763 F1= 7.088 F2= 4.535 null null d= 3.6
assi (( resid 20 and name HD*))
(( resid 39 and name HA1))
3.6 0.90 0.90
! peak number d 151 F1= 7.086 F2= 3.044 null null d= 3.6
assi (( resid 20 and name HD*))
(( resid 39 and name HA2))
3.6 1.20 1.20
! peak number h 579 F1= 1.377 F2= 7.305 null null d= 3.3
assi (( resid 20 and name HE*))
(( resid 18 and name HB*))
3.3 0.82 0.82
! peak number d 71 F1= 7.293 F2= 1.620 null null d= 3.0
assi (( resid 20 and name HE*))
(( resid 18 and name HD*) or ( resid 17 and name HB*))
3.0 0.75 0.75
! peak number d 304 F1= 1.283 F2= 7.321 null null d= 2.7
assi (( resid 20 and name HE*))
(( resid 18 and name HG2))
2.7 0.69 0.69
! peak number h 894 F1= 1.423 F2= 7.302 null null d= 3.3
assi (( resid 20 and name HE*))
(( resid 18 and name HG3))
3.3 0.82 0.82
! peak number d 108 F1= 7.298 F2= 1.404 null null d= 2.9
assi (( resid 20 and name HE*))
(( resid 18 and name HG3) or ( resid 18 and name HB*))
2.9 0.73 0.73
! peak number h 246 F1= 7.097 F2= 7.296 null null d= 1.9
assi (( resid 20 and name HE*))
(( resid 20 and name HD*))
1.9 0.47 0.47
! peak number d 119 F1= 7.296 F2= 4.529 null null d= 3.2
assi (( resid 20 and name HE*))
(( resid 39 and name HA1))
3.2 0.79 0.79
! peak number d 1032 F1= 7.297 F2= 3.060 null null d= 3.4
assi (( resid 20 and name HE*))
(( resid 39 and name HA2))
3.4 0.84 0.84
! peak number h 140 F1= 7.304 F2= 1.586 null null d= 2.9
assi (( resid 20 and name HE*) or ( resid 2 and name HN))
(( resid 2 and name HB3) or ( resid 17 and name HB*))
2.9 0.71 0.71
! peak number h 29 F1= 8.937 F2= 4.245 null null d= 2.8
assi (( resid 20 and name HN))
(( resid 19 and name HA))
2.8 0.80 0.80
! peak number h 426 F1= 8.933 F2= 4.878 null null d= 3.1
assi (( resid 20 and name HN))
(( resid 20 and name HA))
3.1 0.78 0.78
! peak number h 706 F1= 3.172 F2= 8.931 null null d= 3.7
assi (( resid 20 and name HN))
(( resid 20 and name HB2))
3.7 0.93 0.93
! peak number h 19 F1= 8.937 F2= 2.890 null null d= 2.8
assi (( resid 20 and name HN))
(( resid 20 and name HB3))
2.8 0.70 0.70
! peak number h 622 F1= 7.095 F2= 8.931 null null d= 3.8
assi (( resid 20 and name HN))
(( resid 20 and name HD*))
3.8 0.96 0.96
! peak number h 511 F1= 8.157 F2= 8.934 null null d= 3.2
assi (( resid 20 and name HN))
(( resid 37 and name HN))
3.2 0.81 0.81
! peak number d 847 F1= 4.269 F2= 3.988 null null d= 2.7
assi (( resid 21 and name HA))
(( resid 21 and name HB3))
2.7 0.66 0.66
! peak number d 378 F1= 4.270 F2= 0.680 null null d= 2.6
assi (( resid 21 and name HA))
(( resid 36 and name HD2*))
2.6 0.65 0.65
! peak number d 1002 F1= 3.860 F2= 0.680 null null d= 3.9
assi (( resid 21 and name HB2))
(( resid 36 and name HD2*))
3.9 0.97 0.97
! peak number h 415 F1= 9.173 F2= 4.881 null null d= 2.3
assi (( resid 21 and name HN))
(( resid 20 and name HA))
2.3 0.57 0.57
! peak number h 793 F1= 9.171 F2= 3.164 null null d= 3.7
assi (( resid 21 and name HN))
(( resid 20 and name HB2))
3.7 0.93 0.93
! peak number h 27 F1= 9.173 F2= 4.277 null null d= 3.0
assi (( resid 21 and name HN))
(( resid 21 and name HA))
3.0 0.75 0.75
! peak number h 33 F1= 9.172 F2= 3.868 null null d= 3.0
assi (( resid 21 and name HN))
(( resid 21 and name HB2))
3.0 0.75 0.75
! peak number h 31 F1= 9.173 F2= 3.988 null null d= 3.4
assi (( resid 21 and name HN))
(( resid 21 and name HB3))
3.4 0.84 0.84
! peak number h 1046 F1= 9.169 F2= 0.673 null null d= 3.9
assi (( resid 21 and name HN))
(( resid 36 and name HD2*))
3.9 0.97 0.97
! peak number d 325 F1= 3.547 F2= 5.041 null null d= 2.7
assi (( resid 22 and name HA))
(( resid 22 and name HB2))
2.7 0.69 0.69
! peak number d 28 F1= 5.023 F2= 2.729 null null d= 3.1
assi (( resid 22 and name HA))
(( resid 22 and name HB3))
3.1 0.79 0.79
! peak number d 989 F1= 1.154 F2= 3.556 null null d= 3.8
assi (( resid 22 and name HB2))
(( resid 46 and name HG*))
3.8 0.95 0.95
! peak number h 1020 F1= 3.728 F2= 2.742 null null d= 3.0
assi (( resid 22 and name HG))
(( resid 22 and name HB3))
3.0 0.74 0.74
! peak number h 315 F1= 4.278 F2= 8.486 null null d= 2.5
assi (( resid 22 and name HN))
(( resid 21 and name HA))
2.5 0.90 0.90
! peak number h 76 F1= 8.486 F2= 2.748 null null d= 3.0
assi (( resid 22 and name HN))
(( resid 22 and name HB3))
3.0 0.75 0.75
! peak number h 642 F1= 8.477 F2= 0.676 null null d= 3.0
assi (( resid 22 and name HN))
(( resid 36 and name HD2*))
3.0 0.75 0.75
! peak number d 19 F1= 5.857 F2= 2.931 null null d= 2.7
assi (( resid 23 and name HA))
(( resid 23 and name HB2))
2.7 0.69 0.69
! peak number d 29 F1= 5.859 F2= 2.712 null null d= 3.4
assi (( resid 23 and name HA))
(( resid 23 and name HB3))
3.4 0.86 0.86
! peak number d 174 F1= 5.860 F2= 4.916 null null d= 2.4
assi (( resid 23 and name HA))
(( resid 34 and name HA))
2.4 0.60 0.60
! peak number d 602 F1= 2.925 F2= 2.710 null null d= 1.9
assi (( resid 23 and name HB2))
(( resid 23 and name HB3))
1.9 0.46 0.46
! peak number d 555 F1= 2.922 F2= 2.571 null null d= 2.4
assi (( resid 23 and name HB2))
(( resid 47 and name HB3))
2.4 0.60 0.60
! peak number d 212 F1= 5.026 F2= 6.791 null null d= 3.1
assi (( resid 23 and name HD*))
(( resid 22 and name HA))
3.1 0.79 0.79
! peak number d 180 F1= 6.790 F2= 5.870 null null d= 3.1
assi (( resid 23 and name HD*))
(( resid 23 and name HA))
3.1 0.78 0.78
! peak number d 153 F1= 6.782 F2= 2.931 null null d= 2.5
assi (( resid 23 and name HD*))
(( resid 23 and name HB2))
2.5 0.63 0.63
! peak number d 159 F1= 6.782 F2= 2.717 null null d= 2.6
assi (( resid 23 and name HD*))
(( resid 23 and name HB3))
2.6 0.64 0.64
! peak number d 1039 F1= 6.782 F2= 3.393 null null d= 4.5
assi (( resid 23 and name HD*))
(( resid 32 and name HB2))
4.5 1.11 1.11
! peak number d 1100 F1= 5.092 F2= 6.792 null null d= 4.0
assi (( resid 23 and name HD*))
(( resid 33 and name HA))
4.0 1.00 1.00
! peak number d 111 F1= 6.780 F2= 4.917 null null d= 3.0
assi (( resid 23 and name HD*))
(( resid 34 and name HA))
3.0 0.76 0.76
! peak number d 1038 F1= 6.783 F2= 3.962 null null d= 4.1
assi (( resid 23 and name HD*))
(( resid 34 and name HD2))
4.1 1.02 1.02
! peak number d 160 F1= 6.782 F2= 2.589 null null d= 3.2
assi (( resid 23 and name HD*))
(( resid 47 and name HB3) or ( resid 32 and name HB3))
3.2 0.80 0.80
! peak number d 1102 F1= 4.566 F2= 6.792 null null d= 4.2
assi (( resid 23 and name HD*))
(( resid 48 and name HA))
4.2 1.04 1.04
! peak number d 116 F1= 6.780 F2= 4.830 null null d= 3.0
assi (( resid 23 and name HD*))
(( resid 49 and name HA))
3.0 0.74 0.74
! peak number d 1316 F1= 1.272 F2= 6.796 null null d= 4.8
assi (( resid 23 and name HD*))
(( resid 49 and name HG2*) or ( resid 33 and name HG))
4.8 1.19 1.19
! peak number d 148 F1= 6.782 F2= 3.081 null null d= 3.4
assi (( resid 23 and name HD*))
(( resid 50 and name HA))
3.4 0.86 0.86
! peak number d 104 F1= 6.783 F2= 0.668 null null d= 3.6
assi (( resid 23 and name HD*))
(( resid 50 and name HB))
3.6 0.90 0.90
! peak number d 312 F1= 0.748 F2= 6.793 null null d= 3.0
assi (( resid 23 and name HD*))
(( resid 50 and name HD1*))
3.0 0.75 0.75
! peak number d 1053 F1= 6.783 F2= 2.184 null null d= 4.4
assi (( resid 23 and name HD*))
(( resid 53 and name HA) or ( resid 34 and name HG*))
4.4 1.09 1.09
! peak number d 1322 F1= 2.167 F2= 6.790 null null d= 4.3
assi (( resid 23 and name HD*))
(( resid 53 and name HA) or ( resid 52 and name HB*) or ( resid 34 and name HG*))
4.3 1.07 1.07
! peak number d 1251 F1= 6.783 F2= 3.189 null null d= 4.6
assi (( resid 23 and name HD*))
(( resid 53 and name HB2))
4.6 1.15 1.15
! peak number h 941 F1= 3.005 F2= 6.780 null null d= 4.9
assi (( resid 23 and name HD*))
(( resid 53 and name HB3))
4.9 1.23 1.23
! peak number d 1033 F1= 7.403 F2= 2.935 null null d= 4.8
assi (( resid 23 and name HE*))
(( resid 23 and name HB2))
4.8 1.20 1.20
! peak number d 1040 F1= 7.404 F2= 2.718 null null d= 5.1
assi (( resid 23 and name HE*))
(( resid 23 and name HB3))
5.1 1.26 1.26
! peak number d 185 F1= 6.790 F2= 7.426 null null d= 2.1
assi (( resid 23 and name HE*))
(( resid 23 and name HD*))
2.1 0.53 0.53
! peak number d 918 F1= 4.907 F2= 7.414 null null d= 3.9
assi (( resid 23 and name HE*))
(( resid 34 and name HA))
3.9 0.97 0.97
! peak number d 293 F1= 1.981 F2= 7.420 null null d= 3.0
assi (( resid 23 and name HE*))
(( resid 34 and name HB2))
3.0 0.75 0.75
! peak number d 967 F1= 1.879 F2= 7.416 null null d= 3.8
assi (( resid 23 and name HE*))
(( resid 34 and name HB3))
3.8 0.95 0.95
! peak number d 1108 F1= 3.947 F2= 7.420 null null d= 3.5
assi (( resid 23 and name HE*))
(( resid 34 and name HD2))
3.5 0.86 0.86
! peak number d 941 F1= 7.402 F2= 3.965 null null d= 4.1
assi (( resid 23 and name HE*))
(( resid 34 and name HD2) or ( resid 21 and name HB3))
4.1 1.02 1.02
! peak number h 807 F1= 7.410 F2= 3.867 null null d= 4.8
assi (( resid 23 and name HE*))
(( resid 34 and name HD3) or ( resid 21 and name HB2))
4.8 1.20 1.20
! peak number d 795 F1= 2.169 F2= 7.420 null null d= 3.2
assi (( resid 23 and name HE*))
(( resid 34 and name HG*))
3.2 0.81 0.81
! peak number d 115 F1= 7.405 F2= 4.828 null null d= 2.8
assi (( resid 23 and name HE*))
(( resid 49 and name HA))
2.8 0.71 0.71
! peak number d 1396 F1= 4.441 F2= 7.409 null null d= 4.8
assi (( resid 23 and name HE*))
(( resid 49 and name HB))
4.8 1.20 1.20
! peak number d 1146 F1= 3.069 F2= 7.418 null null d= 4.3
assi (( resid 23 and name HE*))
(( resid 50 and name HA))
4.3 1.06 1.06
! peak number d 301 F1= 0.654 F2= 7.416 null null d= 3.0
assi (( resid 23 and name HE*))
(( resid 50 and name HB))
3.0 0.74 0.74
! peak number d 300 F1= 0.766 F2= 7.415 null null d= 2.9
assi (( resid 23 and name HE*))
(( resid 50 and name HD1*))
2.9 0.72 0.72
! peak number d 736 F1= 7.411 F2= 0.877 null null d= 3.6
assi (( resid 23 and name HE*))
(( resid 50 and name HG1*))
3.6 0.91 0.91
! peak number d 62 F1= 7.405 F2= 2.178 null null d= 3.3
assi (( resid 23 and name HE*) or ( resid 1 and name HZ2))
(( resid 34 and name HG*) or ( resid 3 and name HG2))
3.3 0.82 0.82
! peak number d 955 F1= 7.403 F2= 1.886 null null d= 4.2
assi (( resid 23 and name HE*) or ( resid 1 and name HZ2))
(( resid 4 and name HG2) or ( resid 34 and name HB3))
4.2 1.05 1.05
! peak number d 1045 F1= 7.402 F2= 1.285 null null d= 4.1
assi (( resid 23 and name HE*) or ( resid 1 and name HZ2))
(( resid 49 and name HG2*) or ( resid 30 and name HG2))
4.1 1.02 1.02
! peak number h 927 F1= 1.880 F2= 7.403 null null d= 4.1
assi (( resid 23 and name HE*) or ( resid 1 and name HZ2))
(( resid 57 and name HB2) or ( resid 4 and name HG2) or ( resid 34 and name HB3))
4.1 1.02 1.02
! peak number h 599 F1= 7.404 F2= 0.865 null null d= 3.6
assi (( resid 23 and name HE*) or ( resid 1 and name HZ2))
(( resid 6 and name HB3) or ( resid 50 and name HG1*))
3.6 0.90 0.90
! peak number h 414 F1= 9.138 F2= 5.013 null null d= 2.5
assi (( resid 23 and name HN))
(( resid 22 and name HA))
2.5 0.62 0.62
! peak number h 16 F1= 9.140 F2= 3.549 null null d= 2.6
assi (( resid 23 and name HN))
(( resid 22 and name HB2))
2.6 0.65 0.65
! peak number h 21 F1= 9.140 F2= 2.712 null null d= 2.7
assi (( resid 23 and name HN))
(( resid 22 and name HB3))
2.7 0.68 0.68
! peak number h 756 F1= 2.930 F2= 9.148 null null d= 3.9
assi (( resid 23 and name HN))
(( resid 23 and name HB2))
3.9 0.96 0.96
! peak number h 300 F1= 6.788 F2= 9.136 null null d= 3.1
assi (( resid 23 and name HN))
(( resid 23 and name HD*))
3.1 0.78 0.78
! peak number d 1087 F1= 5.316 F2= -0.716 null null d= 4.6
assi (( resid 24 and name HA))
(( resid 11 and name HG2*))
4.6 1.15 1.15
! peak number d 22 F1= 5.318 F2= 2.851 null null d= 2.4
assi (( resid 24 and name HA))
(( resid 24 and name HB*))
2.4 0.61 0.61
! peak number d 1382 F1= 5.319 F2= 3.194 null null d= 4.5
assi (( resid 24 and name HA))
(( resid 53 and name HB2) or ( resid 25 and name HB3))
4.5 1.14 1.14
! peak number d 1004 F1= 2.842 F2= 0.445 null null d= 3.6
assi (( resid 24 and name HB*))
(( resid 11 and name HB))
3.6 0.91 0.91
! peak number d 535 F1= 2.841 F2= -0.719 null null d= 3.0
assi (( resid 24 and name HB*))
(( resid 11 and name HG2*))
3.0 0.75 0.75
! peak number d 311 F1= 0.431 F2= 6.947 null null d= 3.0
assi (( resid 24 and name HD*))
(( resid 11 and name HB))
3.0 0.76 0.76
! peak number d 1028 F1= 6.938 F2= 5.871 null null d= 4.0
assi (( resid 24 and name HD*))
(( resid 23 and name HA))
4.0 1.00 1.00
! peak number d 211 F1= 5.320 F2= 6.948 null null d= 3.8
assi (( resid 24 and name HD*))
(( resid 24 and name HA))
3.8 0.95 0.95
! peak number d 157 F1= 6.938 F2= 2.842 null null d= 2.2
assi (( resid 24 and name HD*))
(( resid 24 and name HB*))
2.2 0.55 0.55
! peak number d 184 F1= 6.564 F2= 6.949 null null d= 2.2
assi (( resid 24 and name HD*))
(( resid 24 and name HE*))
2.2 0.54 0.54
! peak number d 1312 F1= 6.935 F2= 0.833 null null d= 5.2
assi (( resid 24 and name HD*))
(( resid 33 and name HD2*))
5.2 1.30 1.30
! peak number d 139 F1= 6.934 F2= 3.357 null null d= 2.7
assi (( resid 24 and name HD*))
(( resid 35 and name HB2))
2.7 0.68 0.68
! peak number d 285 F1= 2.952 F2= 6.952 null null d= 3.3
assi (( resid 24 and name HD*))
(( resid 35 and name HB3))
3.3 0.82 0.82
! peak number d 782 F1= 4.926 F2= 6.929 null null d= 3.8
assi (( resid 24 and name HD*) or ( resid 1 and name HH2))
(( resid 57 and name HA) or ( resid 34 and name HA))
3.8 0.95 0.95
! peak number d 745 F1= 6.946 F2= 1.186 null null d= 3.4
assi (( resid 24 and name HD*) or ( resid 1 and name HH2))
(( resid 57 and name HB3) or ( resid 33 and name HB3) or ( resid 30 and name HG3))
3.4 0.84 0.84
! peak number d 117 F1= 6.929 F2= 4.549 null null d= 2.9
assi (( resid 24 and name HD*) or ( resid 1 and name HH2))
(( resid 58 and name HA) or ( resid 26 and name HA))
2.9 0.72 0.72
! peak number d 1260 F1= 3.679 F2= 6.921 null null d= 4.3
assi (( resid 24 and name HD*) or ( resid 1 and name HZ3) or ( resid 1 and name HH2))
(( resid 4 and name HD3) or ( resid 10 and name HD3))
4.3 1.07 1.07
! peak number d 807 F1= 0.433 F2= 6.574 null null d= 3.3
assi (( resid 24 and name HE*))
(( resid 11 and name HB))
3.3 0.82 0.82
! peak number d 316 F1= 0.313 F2= 6.571 null null d= 3.4
assi (( resid 24 and name HE*))
(( resid 11 and name HG1*))
3.4 0.84 0.84
! peak number d 103 F1= 6.564 F2= -0.719 null null d= 3.8
assi (( resid 24 and name HE*))
(( resid 11 and name HG2*))
3.8 0.94 0.94
! peak number d 760 F1= 6.569 F2= 2.854 null null d= 3.7
assi (( resid 24 and name HE*))
(( resid 24 and name HB*))
3.7 0.93 0.93
! peak number d 118 F1= 6.564 F2= 4.557 null null d= 2.6
assi (( resid 24 and name HE*))
(( resid 26 and name HA))
2.6 0.66 0.66
! peak number d 69 F1= 6.565 F2= 1.824 null null d= 3.4
assi (( resid 24 and name HE*))
(( resid 26 and name HB*))
3.4 0.85 0.85
! peak number d 75 F1= 6.565 F2= 1.551 null null d= 3.1
assi (( resid 24 and name HE*))
(( resid 26 and name HD*))
3.1 0.77 0.77
! peak number d 1054 F1= 6.565 F2= 1.116 null null d= 3.9
assi (( resid 24 and name HE*))
(( resid 26 and name HG2))
3.9 0.98 0.98
! peak number d 313 F1= 1.379 F2= 6.571 null null d= 2.8
assi (( resid 24 and name HE*))
(( resid 26 and name HG3))
2.8 0.70 0.70
! peak number d 1233 F1= 6.564 F2= 3.899 null null d= 4.7
assi (( resid 24 and name HE*))
(( resid 27 and name HB3) or ( resid 11 and name HA))
4.7 1.18 1.18
! peak number d 105 F1= 6.566 F2= 1.639 null null d= 3.5
assi (( resid 24 and name HE*))
(( resid 33 and name HB2))
3.5 0.88 0.88
! peak number d 314 F1= 1.203 F2= 6.571 null null d= 2.8
assi (( resid 24 and name HE*))
(( resid 33 and name HB3))
2.8 0.70 0.70
! peak number d 315 F1= 0.824 F2= 6.575 null null d= 3.5
assi (( resid 24 and name HE*))
(( resid 33 and name HD2*))
3.5 0.86 0.86
! peak number d 140 F1= 6.564 F2= 3.351 null null d= 3.0
assi (( resid 24 and name HE*))
(( resid 35 and name HB2))
3.0 0.74 0.74
! peak number d 775 F1= 6.565 F2= 2.968 null null d= 3.6
assi (( resid 24 and name HE*))
(( resid 35 and name HB3) or ( resid 26 and name HE2))
3.6 0.90 0.90
! peak number h 306 F1= 5.864 F2= 10.049 null null d= 2.5
assi (( resid 24 and name HN))
(( resid 23 and name HA))
2.5 0.62 0.62
! peak number h 15 F1= 10.049 F2= 2.920 null null d= 3.0
assi (( resid 24 and name HN))
(( resid 23 and name HB2))
3.0 0.76 0.76
! peak number h 411 F1= 10.047 F2= 5.323 null null d= 3.3
assi (( resid 24 and name HN))
(( resid 24 and name HA))
3.3 0.82 0.82
! peak number h 603 F1= 10.044 F2= 2.833 null null d= 3.5
assi (( resid 24 and name HN))
(( resid 24 and name HB*))
3.5 0.86 0.86
! peak number h 287 F1= 6.934 F2= 10.042 null null d= 2.7
assi (( resid 24 and name HN))
(( resid 24 and name HD*))
2.7 0.68 0.68
! peak number h 107 F1= 10.045 F2= 9.306 null null d= 3.0
assi (( resid 24 and name HN))
(( resid 33 and name HN))
3.0 0.74 0.74
! peak number h 410 F1= 10.047 F2= 7.030 null null d= 3.3
assi (( resid 24 and name HN))
(( resid 35 and name HD*))
3.3 0.84 0.84
! peak number d 327 F1= 3.827 F2= 4.850 null null d= 2.6
assi (( resid 25 and name HA))
(( resid 25 and name HB2))
2.6 0.65 0.65
! peak number d 17 F1= 4.834 F2= 3.204 null null d= 2.8
assi (( resid 25 and name HA))
(( resid 25 and name HB3))
2.8 0.70 0.70
! peak number h 736 F1= 3.180 F2= 4.859 null null d= 2.2
assi (( resid 25 and name HA) or ( resid 20 and name HA))
(( resid 25 and name HB3) or ( resid 20 and name HB2))
2.2 0.55 0.55
! peak number d 501 F1= 3.200 F2= 3.837 null null d= 1.9
assi (( resid 25 and name HB2))
(( resid 25 and name HB3))
1.9 0.46 0.46
! peak number d 639 F1= 1.875 F2= 3.818 null null d= 2.8
assi (( resid 25 and name HB2) or ( resid 10 and name HD2))
(( resid 57 and name HB2) or ( resid 10 and name HG3))
2.8 0.70 0.70
! peak number d 619 F1= 1.860 F2= 3.197 null null d= 2.6
assi (( resid 25 and name HB3))
(( resid 57 and name HB2))
2.6 0.65 0.65
! peak number d 114 F1= 7.786 F2= 4.858 null null d= 2.5
assi (( resid 25 and name HD*))
(( resid 25 and name HA))
2.5 0.62 0.62
! peak number d 129 F1= 7.782 F2= 3.843 null null d= 2.8
assi (( resid 25 and name HD*))
(( resid 25 and name HB2))
2.8 0.75 0.75
! peak number d 132 F1= 7.788 F2= 3.205 null null d= 2.8
assi (( resid 25 and name HD*))
(( resid 25 and name HB3))
2.8 0.69 0.69
! peak number h 789 F1= 7.019 F2= 7.782 null null d= 2.8
assi (( resid 25 and name HD*))
(( resid 25 and name HE1))
2.8 0.70 0.70
! peak number d 192 F1= 7.783 F2= 7.093 null null d= 2.3
assi (( resid 25 and name HD*))
(( resid 25 and name HE2))
2.3 0.57 0.57
! peak number d 791 F1= 4.044 F2= 7.795 null null d= 3.5
assi (( resid 25 and name HD*))
(( resid 27 and name HA))
3.5 0.88 0.88
! peak number d 1236 F1= 7.785 F2= 3.421 null null d= 3.8
assi (( resid 25 and name HD*))
(( resid 27 and name HB2))
3.8 0.94 0.94
! peak number d 1020 F1= 7.786 F2= 5.400 null null d= 3.5
assi (( resid 25 and name HD*))
(( resid 32 and name HA))
3.5 0.88 0.88
! peak number d 1158 F1= 1.861 F2= 7.796 null null d= 3.5
assi (( resid 25 and name HD*))
(( resid 57 and name HB2))
3.5 0.89 0.89
! peak number d 1042 F1= 7.787 F2= 1.194 null null d= 3.7
assi (( resid 25 and name HD*))
(( resid 57 and name HB3))
3.7 0.93 0.93
! peak number d 1287 F1= 7.778 F2= 0.994 null null d= 4.3
assi (( resid 25 and name HD*))
(( resid 58 and name HD2*) or ( resid 58 and name HD1*))
4.3 1.07 1.07
! peak number d 1283 F1= 7.780 F2= 1.436 null null d= 4.8
assi (( resid 25 and name HD*))
(( resid 58 and name HG))
4.8 1.21 1.21
! peak number d 1288 F1= 7.778 F2= 1.069 null null d= 4.8
assi (( resid 25 and name HD*))
(( resid 60 and name HG*))
4.8 1.20 1.20
! peak number d 130 F1= 7.789 F2= 3.310 null null d= 2.8
assi (( resid 25 and name HD*))
(( resid 7 and name HB2))
2.8 0.71 0.71
! peak number d 1029 F1= 7.790 F2= 2.907 null null d= 3.6
assi (( resid 25 and name HD*))
(( resid 7 and name HB3))
3.6 0.91 0.91
! peak number h 130 F1= 7.774 F2= 3.816 null null d= 3.0
assi (( resid 25 and name HD*) or ( resid 18 and name HN))
(( resid 38 and name HB2) or ( resid 25 and name HB2))
3.0 0.74 0.74
! peak number d 1252 F1= 3.061 F2= 7.006 null null d= 4.1
assi (( resid 25 and name HE1))
(( resid 54 and name HD2))
4.1 1.02 1.02
! peak number d 744 F1= 7.019 F2= 1.197 null null d= 3.1
assi (( resid 25 and name HE1))
(( resid 57 and name HB3) or ( resid 30 and name HG3))
3.1 0.78 0.78
! peak number d 89 F1= 7.020 F2= 0.993 null null d= 3.5
assi (( resid 25 and name HE1))
(( resid 58 and name HD2*) or ( resid 58 and name HD1*))
3.5 0.87 0.87
! peak number d 77 F1= 7.021 F2= 1.441 null null d= 3.1
assi (( resid 25 and name HE1))
(( resid 58 and name HG))
3.1 0.77 0.77
! peak number d 127 F1= 7.087 F2= 4.055 null null d= 3.3
assi (( resid 25 and name HE2))
(( resid 27 and name HA))
3.3 0.83 0.83
! peak number d 142 F1= 7.080 F2= 3.241 null null d= 3.2
assi (( resid 25 and name HE2))
(( resid 30 and name HA))
3.2 0.80 0.80
! peak number d 959 F1= 7.083 F2= 1.565 null null d= 3.4
assi (( resid 25 and name HE2))
(( resid 30 and name HD2))
3.4 0.85 0.85
! peak number d 960 F1= 7.086 F2= 1.307 null null d= 3.9
assi (( resid 25 and name HE2))
(( resid 30 and name HG2))
3.9 0.97 0.97
! peak number d 1266 F1= 7.088 F2= 4.674 null null d= 3.7
assi (( resid 25 and name HE2))
(( resid 45 and name HA) or ( resid 31 and name HA))
3.7 0.93 0.93
! peak number d 1052 F1= 7.084 F2= 1.210 null null d= 3.5
assi (( resid 25 and name HE2))
(( resid 57 and name HB3))
3.5 0.88 0.88
! peak number d 88 F1= 7.079 F2= 0.992 null null d= 2.9
assi (( resid 25 and name HE2))
(( resid 58 and name HD2*) or ( resid 58 and name HD1*))
2.9 0.72 0.72
! peak number d 919 F1= 4.664 F2= 7.088 null null d= 3.9
assi (( resid 25 and name HE2) or ( resid 20 and name HD*))
(( resid 45 and name HA) or ( resid 31 and name HA) or ( resid 17 and name HA))
3.9 0.97 0.97
! peak number d 306 F1= 1.431 F2= 7.067 null null d= 2.7
assi (( resid 25 and name HE2) or ( resid 20 and name HD*))
(( resid 58 and name HG) or ( resid 18 and name HG3))
2.7 0.69 0.69
! peak number d 920 F1= 4.523 F2= 7.098 null null d= 3.6
assi (( resid 25 and name HE2) or ( resid 20 and name HD*))
(( resid 7 and name HA) or ( resid 39 and name HA1))
3.6 0.90 0.90
! peak number d 154 F1= 7.088 F2= 2.906 null null d= 3.0
assi (( resid 25 and name HE2) or ( resid 20 and name HD*))
(( resid 7 and name HB3) or ( resid 20 and name HB3))
3.0 0.74 0.74
! peak number h 10 F1= 10.564 F2= 5.317 null null d= 2.9
assi (( resid 25 and name HN))
(( resid 24 and name HA))
2.9 0.73 0.73
! peak number h 14 F1= 10.564 F2= 2.836 null null d= 2.7
assi (( resid 25 and name HN))
(( resid 24 and name HB*))
2.7 0.69 0.69
! peak number h 750 F1= 10.564 F2= 6.936 null null d= 3.8
assi (( resid 25 and name HN))
(( resid 24 and name HD*))
3.8 0.94 0.94
! peak number h 11 F1= 10.564 F2= 4.853 null null d= 3.5
assi (( resid 25 and name HN))
(( resid 25 and name HA))
3.5 0.88 0.88
! peak number h 12 F1= 10.565 F2= 3.822 null null d= 2.9
assi (( resid 25 and name HN))
(( resid 25 and name HB2))
2.9 0.73 0.73
! peak number h 13 F1= 10.565 F2= 3.193 null null d= 2.9
assi (( resid 25 and name HN))
(( resid 25 and name HB3))
2.9 0.72 0.72
! peak number h 1 F1= 10.564 F2= 8.341 null null d= 3.0
assi (( resid 25 and name HN))
(( resid 45 and name HD21))
3.0 0.3 0.3
! peak number h 751 F1= 10.564 F2= 7.962 null null d= 4.0
assi (( resid 25 and name HN))
(( resid 45 and name HD22))
4.0 0.4 0.4
! peak number d 342 F1= 1.801 F2= 4.544 null null d= 2.4
assi (( resid 26 and name HA))
(( resid 26 and name HB*))
2.4 0.60 0.60
! peak number d 364 F1= 1.550 F2= 4.554 null null d= 2.5
assi (( resid 26 and name HA))
(( resid 26 and name HD*))
2.5 0.61 0.61
! peak number d 721 F1= 1.797 F2= 0.823 null null d= 2.2
assi (( resid 26 and name HB*))
(( resid 33 and name HD2*))
2.2 0.55 0.55
! peak number d 622 F1= 1.828 F2= 2.991 null null d= 2.4
assi (( resid 26 and name HE2))
(( resid 26 and name HB*))
2.4 0.60 0.60
! peak number d 985 F1= 1.103 F2= 2.983 null null d= 3.4
assi (( resid 26 and name HE2))
(( resid 26 and name HG2))
3.4 0.85 0.85
! peak number d 986 F1= 1.202 F2= 2.971 null null d= 3.5
assi (( resid 26 and name HE2))
(( resid 29 and name HB*))
3.5 0.88 0.88
! peak number d 676 F1= 1.109 F2= 2.886 null null d= 2.9
assi (( resid 26 and name HE3))
(( resid 26 and name HG2))
2.9 0.72 0.72
! peak number d 979 F1= 0.827 F2= 1.400 null null d= 2.7
assi (( resid 26 and name HG3))
(( resid 33 and name HD2*))
2.7 0.68 0.68
! peak number h 431 F1= 8.590 F2= 4.846 null null d= 2.3
assi (( resid 26 and name HN))
(( resid 25 and name HA))
2.3 0.57 0.57
! peak number h 597 F1= 8.586 F2= 4.549 null null d= 3.3
assi (( resid 26 and name HN))
(( resid 26 and name HA))
3.3 0.82 0.82
! peak number h 384 F1= 1.819 F2= 8.591 null null d= 2.7
assi (( resid 26 and name HN))
(( resid 26 and name HB*))
2.7 0.68 0.68
! peak number h 42 F1= 8.590 F2= 1.389 null null d= 3.0
assi (( resid 26 and name HN))
(( resid 26 and name HG3))
3.0 0.75 0.75
! peak number h 611 F1= 8.587 F2= 6.270 null null d= 3.5
assi (( resid 26 and name HN))
(( resid 31 and name HN))
3.5 0.88 0.88
! peak number h 629 F1= 8.586 F2= 5.386 null null d= 3.4
assi (( resid 26 and name HN))
(( resid 32 and name HA))
3.4 0.85 0.85
! peak number h 1089 F1= 8.590 F2= 3.189 null null d= 3.9
assi (( resid 26 and name HN) or ( resid 14 and name HN))
(( resid 25 and name HB3) or ( resid 12 and name HD*))
3.9 0.97 0.97
! peak number h 839 F1= 8.595 F2= 1.574 null null d= 3.3
assi (( resid 26 and name HN) or ( resid 14 and name HN))
(( resid 31 and name HB*) or ( resid 26 and name HD*) or ( resid 13 and name HG1*) or ( resid 12 and name HG3))
3.3 0.82 0.82
! peak number h 649 F1= 8.595 F2= 1.297 null null d= 3.5
assi (( resid 26 and name HN) or ( resid 14 and name HN))
(( resid 33 and name HG) or ( resid 13 and name HG2*))
3.5 0.86 0.86
! peak number d 446 F1= 4.046 F2= 3.446 null null d= 3.0
assi (( resid 27 and name HA))
(( resid 27 and name HB2))
3.0 0.94 0.94
! peak number d 1297 F1= 1.118 F2= 4.025 null null d= 4.9
assi (( resid 27 and name HA))
(( resid 28 and name HG2*) or ( resid 26 and name HG2))
4.9 1.23 1.23
! peak number d 1112 F1= 4.048 F2= 1.563 null null d= 3.5
assi (( resid 27 and name HA))
(( resid 30 and name HD2))
3.5 0.88 0.88
! peak number d 503 F1= 3.425 F2= 3.894 null null d= 1.9
assi (( resid 27 and name HB3))
(( resid 27 and name HB2))
1.9 0.47 0.47
! peak number d 1399 F1= 4.044 F2= 7.349 null null d= 4.8
assi (( resid 27 and name HD1))
(( resid 27 and name HA))
4.8 1.70 1.70
! peak number d 133 F1= 7.338 F2= 3.430 null null d= 3.1
assi (( resid 27 and name HD1))
(( resid 27 and name HB2))
3.1 0.77 0.77
! peak number d 238 F1= 3.740 F2= 7.349 null null d= 3.9
assi (( resid 27 and name HD1))
(( resid 28 and name HA))
3.9 0.97 0.97
! peak number d 303 F1= 1.136 F2= 7.345 null null d= 3.5
assi (( resid 27 and name HD1))
(( resid 28 and name HG2*))
3.5 0.86 0.86
! peak number d 124 F1= 7.338 F2= 4.183 null null d= 3.9
assi (( resid 27 and name HD1))
(( resid 8 and name HA) or ( resid 28 and name HB))
3.9 0.98 0.98
! peak number h 286 F1= 7.344 F2= 10.270 null null d= 2.7
assi (( resid 27 and name HE1))
(( resid 27 and name HD1))
2.7 0.68 0.68
! peak number h 285 F1= 7.597 F2= 10.274 null null d= 3.1
assi (( resid 27 and name HE1))
(( resid 27 and name HZ2))
3.1 0.78 0.78
! peak number d 749 F1= 7.692 F2= 3.435 null null d= 3.7
assi (( resid 27 and name HE3))
(( resid 27 and name HB2))
3.7 0.93 0.93
! peak number d 128 F1= 7.692 F2= 3.885 null null d= 3.1
assi (( resid 27 and name HE3))
(( resid 27 and name HB3))
3.1 0.85 0.85
! peak number d 131 F1= 7.693 F2= 3.302 null null d= 3.5
assi (( resid 27 and name HE3))
(( resid 7 and name HB2))
3.5 0.96 0.96
! peak number d 1030 F1= 7.693 F2= 2.907 null null d= 3.9
assi (( resid 27 and name HE3))
(( resid 7 and name HB3))
3.9 0.96 0.96
! peak number d 1106 F1= 4.183 F2= 7.702 null null d= 3.5
assi (( resid 27 and name HE3))
(( resid 8 and name HA))
3.5 0.90 0.90
! peak number d 1244 F1= 7.691 F2= 2.201 null null d= 4.8
assi (( resid 27 and name HE3))
(( resid 8 and name HE*) or ( resid 3 and name HG2))
4.8 1.19 1.19
! peak number h 132 F1= 7.692 F2= 3.885 null null d= 2.8
assi (( resid 27 and name HE3) or ( resid 11 and name HN))
(( resid 27 and name HB3) or ( resid 11 and name HA))
2.8 0.70 0.70
! peak number d 196 F1= 7.087 F2= 7.707 null null d= 2.5
assi (( resid 27 and name HE3) or ( resid 25 and name HZ))
(( resid 25 and name HE2))
2.5 0.62 0.62
! peak number d 126 F1= 7.692 F2= 4.053 null null d= 3.0
assi (( resid 27 and name HE3) or ( resid 25 and name HZ))
(( resid 27 and name HA))
3.0 0.76 0.76
! peak number d 190 F1= 6.984 F2= 7.697 null null d= 2.4
assi (( resid 27 and name HE3) or ( resid 25 and name HZ))
(( resid 27 and name HZ3) or ( resid 25 and name HE1))
2.4 0.61 0.61
! peak number d 1234 F1= 7.692 F2= 3.751 null null d= 4.3
assi (( resid 27 and name HE3) or ( resid 25 and name HZ))
(( resid 28 and name HA))
4.3 1.09 1.09
! peak number d 1043 F1= 7.691 F2= 1.158 null null d= 4.3
assi (( resid 27 and name HE3) or ( resid 25 and name HZ))
(( resid 28 and name HG2*))
4.3 1.07 1.07
! peak number d 1285 F1= 7.692 F2= 1.780 null null d= 4.3
assi (( resid 27 and name HE3) or ( resid 25 and name HZ))
(( resid 30 and name HB3) or ( resid 3 and name HB3))
4.3 1.06 1.06
! peak number h 925 F1= 2.016 F2= 7.224 null null d= 3.9
assi (( resid 27 and name HH2))
(( resid 3 and name HG3))
3.9 0.97 0.97
! peak number h 250 F1= 6.984 F2= 7.230 null null d= 2.2
assi (( resid 27 and name HH2) or ( resid 1 and name HD1))
(( resid 59 and name HN) or ( resid 27 and name HZ3))
2.2 0.55 0.55
! peak number d 64 F1= 7.229 F2= 2.031 null null d= 3.5
assi (( resid 27 and name HH2) or ( resid 1 and name HE3))
(( resid 3 and name HG3))
3.5 0.88 0.88
! peak number d 966 F1= 2.020 F2= 7.241 null null d= 3.9
assi (( resid 27 and name HH2) or ( resid 1 and name HE3))
(( resid 58 and name HB*) or ( resid 3 and name HG3))
3.9 0.96 0.96
! peak number d 1156 F1= 1.782 F2= 7.246 null null d= 3.6
assi (( resid 27 and name HH2) or ( resid 1 and name HE3) or ( resid 1 and name HD1))
(( resid 3 and name HB3) or ( resid 2 and name HB2))
3.6 0.90 0.90
! peak number h 1044 F1= 1.546 F2= 8.294 null null d= 5.0
assi (( resid 27 and name HN))
(( resid 26 and name HD*))
5.0 1.26 1.26
! peak number h 1064 F1= 8.292 F2= 1.114 null null d= 4.0
assi (( resid 27 and name HN))
(( resid 26 and name HG2))
4.0 1.00 1.00
! peak number h 1065 F1= 8.292 F2= 1.378 null null d= 4.3
assi (( resid 27 and name HN))
(( resid 26 and name HG3))
4.3 1.07 1.07
! peak number h 78 F1= 8.297 F2= 4.045 null null d= 2.8
assi (( resid 27 and name HN))
(( resid 27 and name HA))
2.8 0.70 0.70
! peak number h 323 F1= 3.428 F2= 8.302 null null d= 2.8
assi (( resid 27 and name HN))
(( resid 27 and name HB2))
2.8 0.70 0.70
! peak number h 520 F1= 3.876 F2= 8.294 null null d= 2.9
assi (( resid 27 and name HN))
(( resid 27 and name HB3))
2.9 0.71 0.71
! peak number h 786 F1= 8.290 F2= 7.329 null null d= 3.7
assi (( resid 27 and name HN))
(( resid 27 and name HD1))
3.7 0.93 0.93
! peak number d 194 F1= 7.233 F2= 7.597 null null d= 2.4
assi (( resid 27 and name HZ2))
(( resid 27 and name HH2))
2.4 0.61 0.61
! peak number d 1309 F1= 2.198 F2= 7.594 null null d= 4.3
assi (( resid 27 and name HZ2))
(( resid 8 and name HE*) or ( resid 3 and name HG2))
4.3 1.06 1.06
! peak number d 1327 F1= 2.474 F2= 7.000 null null d= 3.8
assi (( resid 27 and name HZ3))
(( resid 3 and name HB2))
3.8 0.95 0.95
! peak number d 741 F1= 6.982 F2= 2.202 null null d= 3.5
assi (( resid 27 and name HZ3))
(( resid 3 and name HG2))
3.5 1.00 1.00
! peak number d 743 F1= 6.983 F2= 2.033 null null d= 3.6
assi (( resid 27 and name HZ3))
(( resid 3 and name HG3))
3.6 0.90 0.90
! peak number d 109 F1= 6.977 F2= 1.791 null null d= 3.3
assi (( resid 27 and name HZ3) or ( resid 25 and name HE1))
(( resid 30 and name HB3) or ( resid 3 and name HB3))
3.3 0.84 0.84
! peak number d 1257 F1= 6.983 F2= 3.312 null null d= 3.7
assi (( resid 27 and name HZ3) or ( resid 25 and name HE1))
(( resid 7 and name HB2))
3.7 0.93 0.93
! peak number d 390 F1= 3.743 F2= 1.149 null null d= 2.9
assi (( resid 28 and name HA))
(( resid 28 and name HG2*))
2.9 0.71 0.71
! peak number d 487 F1= 3.741 F2= 4.185 null null d= 2.4
assi (( resid 28 and name HB))
(( resid 28 and name HA))
2.4 0.60 0.60
! peak number d 668 F1= 1.136 F2= 4.184 null null d= 2.9
assi (( resid 28 and name HB))
(( resid 28 and name HG2*))
2.9 0.90 0.90
! peak number h 704 F1= 3.420 F2= 8.100 null null d= 3.2
assi (( resid 28 and name HN))
(( resid 27 and name HB2))
3.2 0.80 0.80
! peak number h 320 F1= 3.746 F2= 8.101 null null d= 3.1
assi (( resid 28 and name HN))
(( resid 28 and name HA))
3.1 0.78 0.78
! peak number h 482 F1= 8.104 F2= 4.184 null null d= 3.6
assi (( resid 28 and name HN))
(( resid 28 and name HB))
3.6 0.90 0.90
! peak number h 388 F1= 1.143 F2= 8.102 null null d= 2.9
assi (( resid 28 and name HN))
(( resid 28 and name HG2*))
2.9 0.72 0.72
! peak number h 58 F1= 8.106 F2= 1.132 null null d= 2.6
assi (( resid 28 and name HN))
(( resid 28 and name HG2*) or ( resid 26 and name HG2))
2.6 0.65 0.65
! peak number h 218 F1= 8.106 F2= 6.649 null null d= 3.0
assi (( resid 28 and name HN))
(( resid 29 and name HN))
3.0 0.74 0.74
! peak number d 673 F1= 1.204 F2= 4.400 null null d= 2.3
assi (( resid 29 and name HA))
(( resid 29 and name HB*))
2.3 0.56 0.56
! peak number h 593 F1= 1.551 F2= 6.659 null null d= 3.2
assi (( resid 29 and name HN))
(( resid 26 and name HD*))
3.2 0.80 0.80
! peak number h 190 F1= 6.651 F2= 1.098 null null d= 2.6
assi (( resid 29 and name HN))
(( resid 26 and name HG2))
2.6 0.65 0.65
! peak number h 1085 F1= 3.744 F2= 6.648 null null d= 4.0
assi (( resid 29 and name HN))
(( resid 28 and name HA))
4.0 1.01 1.01
! peak number h 198 F1= 6.657 F2= 4.399 null null d= 2.8
assi (( resid 29 and name HN))
(( resid 29 and name HA))
2.8 0.70 0.70
! peak number h 187 F1= 6.650 F2= 1.209 null null d= 2.5
assi (( resid 29 and name HN))
(( resid 29 and name HB*))
2.5 0.64 0.64
! peak number h 1092 F1= 6.653 F2= 3.230 null null d= 4.1
assi (( resid 29 and name HN))
(( resid 30 and name HA))
4.1 1.02 1.02
! peak number d 392 F1= 4.103 F2= 2.486 null null d= 2.8
assi (( resid 3 and name HA))
(( resid 3 and name HB2))
2.8 0.70 0.70
! peak number d 1072 F1= 4.097 F2= 1.791 null null d= 3.0
assi (( resid 3 and name HA))
(( resid 3 and name HB3))
3.0 0.75 0.75
! peak number d 1012 F1= 4.097 F2= 2.199 null null d= 3.6
assi (( resid 3 and name HA))
(( resid 3 and name HG2))
3.6 0.90 0.90
! peak number d 486 F1= 3.682 F2= 4.108 null null d= 2.3
assi (( resid 3 and name HA))
(( resid 4 and name HD3))
2.3 0.57 0.57
! peak number d 1073 F1= 4.104 F2= 1.899 null null d= 3.8
assi (( resid 3 and name HA))
(( resid 4 and name HG2))
3.8 0.95 0.95
! peak number d 898 F1= 2.023 F2= 2.480 null null d= 3.0
assi (( resid 3 and name HB2))
(( resid 3 and name HG3))
3.0 0.75 0.75
! peak number d 473 F1= 3.499 F2= 1.590 null null d= 3.3
assi (( resid 3 and name HD2))
(( resid 2 and name HB3))
3.3 0.84 0.84
! peak number d 1371 F1= 3.494 F2= 2.478 null null d= 3.3
assi (( resid 3 and name HD2))
(( resid 3 and name HB2))
3.3 0.82 0.82
! peak number d 615 F1= 1.788 F2= 3.493 null null d= 2.8
assi (( resid 3 and name HD2))
(( resid 3 and name HB3) or ( resid 2 and name HB2))
2.8 0.70 0.70
! peak number d 608 F1= 2.021 F2= 3.500 null null d= 2.9
assi (( resid 3 and name HD2))
(( resid 3 and name HG3))
2.9 0.72 0.72
! peak number d 1377 F1= 1.572 F2= 3.358 null null d= 3.9
assi (( resid 3 and name HD3))
(( resid 2 and name HB3))
3.9 0.97 0.97
! peak number d 869 F1= 1.787 F2= 3.361 null null d= 3.0
assi (( resid 3 and name HD3))
(( resid 3 and name HB3) or ( resid 2 and name HB2))
3.0 0.75 0.75
! peak number d 471 F1= 3.357 F2= 2.029 null null d= 3.1
assi (( resid 3 and name HD3))
(( resid 3 and name HG3))
3.1 0.78 0.78
! peak number d 606 F1= 2.047 F2= 3.229 null null d= 3.3
assi (( resid 30 and name HA))
(( resid 30 and name HB2))
3.3 0.82 0.82
! peak number d 567 F1= 3.232 F2= 1.804 null null d= 2.4
assi (( resid 30 and name HA))
(( resid 30 and name HB3))
2.4 0.60 0.60
! peak number d 675 F1= 1.189 F2= 3.235 null null d= 2.8
assi (( resid 30 and name HA))
(( resid 30 and name HG3))
2.8 0.70 0.70
! peak number d 891 F1= 1.191 F2= 2.067 null null d= 2.7
assi (( resid 30 and name HB2))
(( resid 30 and name HG3))
2.7 0.68 0.68
! peak number d 685 F1= 1.014 F2= 2.491 null null d= 2.7
assi (( resid 30 and name HE3) or ( resid 3 and name HB2))
(( resid 8 and name HD*) or ( resid 58 and name HD2*))
2.7 0.68 0.68
! peak number h 806 F1= 7.582 F2= 4.046 null null d= 3.6
assi (( resid 30 and name HN))
(( resid 27 and name HA))
3.6 0.90 0.90
! peak number h 228 F1= 7.582 F2= 6.657 null null d= 2.3
assi (( resid 30 and name HN))
(( resid 29 and name HN))
2.3 0.59 0.59
! peak number h 116 F1= 7.580 F2= 3.238 null null d= 2.4
assi (( resid 30 and name HN))
(( resid 30 and name HA))
2.4 0.60 0.60
! peak number h 857 F1= 7.585 F2= 1.555 null null d= 3.8
assi (( resid 30 and name HN))
(( resid 30 and name HD2))
3.8 0.95 0.95
! peak number h 65 F1= 7.575 F2= 1.201 null null d= 3.0
assi (( resid 30 and name HN))
(( resid 30 and name HG3) or ( resid 29 and name HB*))
3.0 0.76 0.76
! peak number h 226 F1= 7.581 F2= 6.277 null null d= 3.0
assi (( resid 30 and name HN))
(( resid 31 and name HN))
3.0 0.75 0.75
! peak number h 1069 F1= 2.066 F2= 7.596 null null d= 4.1
assi (( resid 30 and name HN) or ( resid 19 and name HN))
(( resid 30 and name HB2) or ( resid 19 and name HG3))
4.1 1.02 1.02
! peak number h 386 F1= 1.285 F2= 7.605 null null d= 2.5
assi (( resid 30 and name HN) or ( resid 19 and name HN))
(( resid 30 and name HG2) or ( resid 18 and name HG2))
2.5 0.62 0.62
! peak number d 363 F1= 1.296 F2= 4.671 null null d= 2.6
assi (( resid 31 and name HA))
(( resid 31 and name HG*))
2.6 0.65 0.65
! peak number d 415 F1= 4.659 F2= 1.584 null null d= 2.1
assi (( resid 31 and name HA) or ( resid 17 and name HA))
(( resid 31 and name HB*) or ( resid 17 and name HB*))
2.1 0.53 0.53
! peak number d 420 F1= 4.658 F2= 1.296 null null d= 2.4
assi (( resid 31 and name HA) or ( resid 17 and name HA))
(( resid 31 and name HG*) or ( resid 17 and name HG2))
2.4 0.60 0.60
! peak number d 1008 F1= 1.592 F2= 2.961 null null d= 2.7
assi (( resid 31 and name HE*) or ( resid 17 and name HE*))
(( resid 31 and name HB*) or ( resid 17 and name HB*))
2.7 0.68 0.68
! peak number h 848 F1= 6.276 F2= 1.804 null null d= 3.5
assi (( resid 31 and name HN))
(( resid 26 and name HB*))
3.5 0.89 0.89
! peak number h 399 F1= 1.214 F2= 6.274 null null d= 3.3
assi (( resid 31 and name HN))
(( resid 29 and name HB*))
3.3 0.82 0.82
! peak number h 194 F1= 6.277 F2= 3.233 null null d= 2.7
assi (( resid 31 and name HN))
(( resid 30 and name HA))
2.7 0.69 0.69
! peak number h 1073 F1= 1.563 F2= 6.268 null null d= 5.2
assi (( resid 31 and name HN))
(( resid 31 and name HB*))
5.2 3.10 3.10
! peak number h 474 F1= 6.276 F2= 1.301 null null d= 3.1
assi (( resid 31 and name HN))
(( resid 33 and name HG) or ( resid 31 and name HG*) or ( resid 30 and name HG2))
3.1 0.79 0.79
! peak number d 177 F1= 4.844 F2= 5.398 null null d= 2.4
assi (( resid 32 and name HA))
(( resid 25 and name HA))
2.4 0.60 0.60
! peak number d 1059 F1= 5.389 F2= 3.207 null null d= 3.8
assi (( resid 32 and name HA))
(( resid 25 and name HB3))
3.8 0.95 0.95
! peak number d 14 F1= 5.388 F2= 3.397 null null d= 3.3
assi (( resid 32 and name HA))
(( resid 32 and name HB2))
3.3 0.84 0.84
! peak number d 31 F1= 5.403 F2= 2.602 null null d= 3.1
assi (( resid 32 and name HA))
(( resid 32 and name HB3))
3.1 0.77 0.77
! peak number d 1066 F1= 5.391 F2= 1.308 null null d= 3.6
assi (( resid 32 and name HA))
(( resid 33 and name HG))
3.6 0.90 0.90
! peak number d 1381 F1= 3.191 F2= 5.395 null null d= 4.2
assi (( resid 32 and name HA))
(( resid 53 and name HB2) or ( resid 25 and name HB3))
4.2 1.05 1.05
! peak number d 1334 F1= 1.198 F2= 5.395 null null d= 4.2
assi (( resid 32 and name HA))
(( resid 57 and name HB3) or ( resid 33 and name HB3))
4.2 1.04 1.04
! peak number d 681 F1= 0.771 F2= 3.398 null null d= 3.6
assi (( resid 32 and name HB2))
(( resid 50 and name HD1*))
3.6 0.90 0.90
! peak number d 682 F1= 0.870 F2= 3.400 null null d= 3.0
assi (( resid 32 and name HB2))
(( resid 50 and name HG1*))
3.0 0.75 0.75
! peak number d 993 F1= 0.769 F2= 2.599 null null d= 4.6
assi (( resid 32 and name HB3))
(( resid 50 and name HD1*))
4.6 1.15 1.15
! peak number d 687 F1= 0.869 F2= 2.601 null null d= 2.7
assi (( resid 32 and name HB3))
(( resid 50 and name HG1*))
2.7 0.68 0.68
! peak number h 451 F1= 8.640 F2= 1.570 null null d= 3.3
assi (( resid 32 and name HN))
(( resid 31 and name HB*))
3.3 0.82 0.82
! peak number h 648 F1= 8.644 F2= 1.302 null null d= 3.2
assi (( resid 32 and name HN))
(( resid 31 and name HG*))
3.2 0.80 0.80
! peak number h 439 F1= 8.642 F2= 5.385 null null d= 3.2
assi (( resid 32 and name HN))
(( resid 32 and name HA))
3.2 0.80 0.80
! peak number h 327 F1= 3.378 F2= 8.646 null null d= 2.7
assi (( resid 32 and name HN))
(( resid 32 and name HB2))
2.7 0.66 0.66
! peak number h 636 F1= 8.643 F2= 2.586 null null d= 3.8
assi (( resid 32 and name HN))
(( resid 32 and name HB3))
3.8 0.94 0.94
! peak number h 1057 F1= 0.982 F2= 8.638 null null d= 5.2
assi (( resid 32 and name HN))
(( resid 58 and name HD2*) or ( resid 58 and name HD1*))
5.2 1.90 1.90
! peak number d 1207 F1= 1.620 F2= 5.108 null null d= 2.6
assi (( resid 33 and name HA))
(( resid 33 and name HB2))
2.6 0.66 0.66
! peak number d 351 F1= 1.206 F2= 5.102 null null d= 3.0
assi (( resid 33 and name HA))
(( resid 33 and name HB3))
3.0 0.74 0.74
! peak number d 352 F1= 0.942 F2= 5.098 null null d= 2.7
assi (( resid 33 and name HA))
(( resid 33 and name HD1*))
2.7 0.67 0.67
! peak number d 900 F1= 5.094 F2= 0.831 null null d= 3.8
assi (( resid 33 and name HA))
(( resid 33 and name HD2*))
3.8 0.95 0.95
! peak number d 350 F1= 1.295 F2= 5.103 null null d= 3.0
assi (( resid 33 and name HA))
(( resid 33 and name HG))
3.0 0.75 0.75
! peak number d 1 F1= 5.093 F2= 3.971 null null d= 2.3
assi (( resid 33 and name HA))
(( resid 34 and name HD2))
2.3 0.57 0.57
! peak number d 323 F1= 3.861 F2= 5.103 null null d= 2.4
assi (( resid 33 and name HA))
(( resid 34 and name HD3))
2.4 0.60 0.60
! peak number d 905 F1= 5.088 F2= 2.183 null null d= 3.6
assi (( resid 33 and name HA))
(( resid 34 and name HG*))
3.6 0.91 0.91
! peak number d 1423 F1= 0.939 F2= 1.612 null null d= 2.3
assi (( resid 33 and name HB2))
(( resid 33 and name HD1*))
2.3 0.57 0.57
! peak number d 980 F1= 0.831 F2= 1.605 null null d= 2.3
assi (( resid 33 and name HB2))
(( resid 33 and name HD2*))
2.3 0.57 0.57
! peak number d 851 F1= 1.205 F2= 0.835 null null d= 2.4
assi (( resid 33 and name HB3))
(( resid 33 and name HD2*))
2.4 0.60 0.60
! peak number d 977 F1= 0.829 F2= 1.310 null null d= 2.3
assi (( resid 33 and name HG))
(( resid 33 and name HD2*))
2.3 0.57 0.57
! peak number d 1426 F1= 0.942 F2= 1.305 null null d= 2.2
assi (( resid 33 and name HG) or ( resid 31 and name HG*))
(( resid 33 and name HD1*))
2.2 0.54 0.54
! peak number h 311 F1= 5.396 F2= 9.310 null null d= 2.5
assi (( resid 33 and name HN))
(( resid 32 and name HA))
2.5 0.61 0.61
! peak number h 944 F1= 9.303 F2= 2.589 null null d= 3.8
assi (( resid 33 and name HN))
(( resid 32 and name HB3))
3.8 0.95 0.95
! peak number h 413 F1= 9.312 F2= 5.092 null null d= 2.8
assi (( resid 33 and name HN))
(( resid 33 and name HA))
2.8 0.70 0.70
! peak number h 1043 F1= 1.622 F2= 9.301 null null d= 4.0
assi (( resid 33 and name HN))
(( resid 33 and name HB2))
4.0 0.99 0.99
! peak number h 25 F1= 9.305 F2= 1.197 null null d= 2.9
assi (( resid 33 and name HN))
(( resid 33 and name HB3))
2.9 0.71 0.71
! peak number h 1050 F1= 9.303 F2= 0.939 null null d= 4.4
assi (( resid 33 and name HN))
(( resid 33 and name HD1*))
4.4 1.10 1.10
! peak number h 1049 F1= 9.305 F2= 0.823 null null d= 3.8
assi (( resid 33 and name HN))
(( resid 33 and name HD2*))
3.8 0.95 0.95
! peak number h 835 F1= 9.307 F2= 1.300 null null d= 3.4
assi (( resid 33 and name HN))
(( resid 33 and name HG))
3.4 0.85 0.85
! peak number d 7 F1= 4.891 F2= 3.765 null null d= 3.0
assi (( resid 34 and name HA))
(( resid 22 and name HG))
3.0 0.75 0.75
! peak number d 345 F1= 1.978 F2= 4.914 null null d= 2.6
assi (( resid 34 and name HA))
(( resid 34 and name HB2))
2.6 0.65 0.65
! peak number d 38 F1= 4.907 F2= 2.179 null null d= 3.5
assi (( resid 34 and name HA))
(( resid 34 and name HG*))
3.5 0.86 0.86
! peak number d 1384 F1= 4.263 F2= 4.889 null null d= 3.4
assi (( resid 34 and name HA) or ( resid 20 and name HA))
(( resid 21 and name HA) or ( resid 19 and name HA))
3.4 0.85 0.85
! peak number d 1015 F1= 3.943 F2= 1.622 null null d= 3.0
assi (( resid 34 and name HD2))
(( resid 33 and name HB2))
3.0 0.75 0.75
! peak number d 1098 F1= 3.942 F2= 1.214 null null d= 4.1
assi (( resid 34 and name HD2))
(( resid 33 and name HB3))
4.1 1.02 1.02
! peak number d 388 F1= 3.943 F2= 0.953 null null d= 3.4
assi (( resid 34 and name HD2))
(( resid 33 and name HD1*))
3.4 0.85 0.85
! peak number d 1006 F1= 1.980 F2= 3.957 null null d= 3.3
assi (( resid 34 and name HD2))
(( resid 34 and name HB2))
3.3 0.84 0.84
! peak number h 1015 F1= 2.170 F2= 3.957 null null d= 2.7
assi (( resid 34 and name HD2))
(( resid 34 and name HG*))
2.7 0.70 0.70
! peak number d 389 F1= 3.867 F2= 1.206 null null d= 3.1
assi (( resid 34 and name HD3))
(( resid 33 and name HB3))
3.1 0.79 0.79
! peak number d 386 F1= 3.868 F2= 0.949 null null d= 3.2
assi (( resid 34 and name HD3))
(( resid 33 and name HD1*))
3.2 0.81 0.81
! peak number d 459 F1= 3.863 F2= 2.167 null null d= 2.5
assi (( resid 34 and name HD3))
(( resid 34 and name HG*))
2.5 0.63 0.63
! peak number d 1097 F1= 3.862 F2= 0.828 null null d= 4.3
assi (( resid 34 and name HD3) or ( resid 21 and name HB2))
(( resid 36 and name HD1*) or ( resid 33 and name HD2*))
4.3 1.07 1.07
! peak number d 329 F1= 3.347 F2= 4.797 null null d= 2.7
assi (( resid 35 and name HA))
(( resid 35 and name HB2))
2.7 0.69 0.69
! peak number d 781 F1= 3.345 F2= -0.719 null null d= 3.6
assi (( resid 35 and name HB2))
(( resid 11 and name HG2*))
3.6 0.90 0.90
! peak number d 971 F1= 2.947 F2= -0.717 null null d= 3.6
assi (( resid 35 and name HB3))
(( resid 11 and name HG2*))
3.6 0.90 0.90
! peak number d 1223 F1= 0.828 F2= 2.972 null null d= 4.1
assi (( resid 35 and name HB3) or ( resid 26 and name HE2))
(( resid 36 and name HD1*) or ( resid 33 and name HD2*))
4.1 1.02 1.02
! peak number d 992 F1= 0.941 F2= 2.952 null null d= 4.3
assi (( resid 35 and name HB3) or ( resid 31 and name HE*))
(( resid 36 and name HB3) or ( resid 33 and name HD1*))
4.3 1.07 1.07
! peak number d 101 F1= 7.035 F2= -0.719 null null d= 3.0
assi (( resid 35 and name HD*))
(( resid 11 and name HG2*))
3.0 0.76 0.76
! peak number d 122 F1= 7.036 F2= 4.266 null null d= 3.4
assi (( resid 35 and name HD*))
(( resid 13 and name HA))
3.4 0.86 0.86
! peak number d 957 F1= 7.035 F2= 2.049 null null d= 3.6
assi (( resid 35 and name HD*))
(( resid 13 and name HB))
3.6 0.90 0.90
! peak number d 106 F1= 7.016 F2= 1.070 null null d= 2.5
assi (( resid 35 and name HD*))
(( resid 13 and name HD1*))
2.5 0.64 0.64
! peak number d 296 F1= 1.547 F2= 7.048 null null d= 2.6
assi (( resid 35 and name HD*))
(( resid 13 and name HG1*))
2.6 0.66 0.66
! peak number d 754 F1= 7.039 F2= 2.737 null null d= 3.5
assi (( resid 35 and name HD*))
(( resid 22 and name HB3))
3.5 0.89 0.89
! peak number d 179 F1= 7.038 F2= 5.875 null null d= 3.1
assi (( resid 35 and name HD*))
(( resid 23 and name HA))
3.1 0.77 0.77
! peak number d 796 F1= 2.727 F2= 7.048 null null d= 3.5
assi (( resid 35 and name HD*))
(( resid 23 and name HB3) or ( resid 22 and name HB3))
3.5 0.86 0.86
! peak number d 1027 F1= 7.044 F2= 5.330 null null d= 4.1
assi (( resid 35 and name HD*))
(( resid 24 and name HA))
4.1 1.02 1.02
! peak number d 156 F1= 7.036 F2= 2.843 null null d= 2.9
assi (( resid 35 and name HD*))
(( resid 24 and name HB*))
2.9 0.72 0.72
! peak number d 1055 F1= 6.566 F2= 7.057 null null d= 3.3
assi (( resid 35 and name HD*))
(( resid 24 and name HE*))
3.3 0.82 0.82
! peak number d 933 F1= 7.038 F2= 4.915 null null d= 4.0
assi (( resid 35 and name HD*))
(( resid 34 and name HA))
4.0 1.00 1.00
! peak number d 138 F1= 7.037 F2= 3.350 null null d= 2.6
assi (( resid 35 and name HD*))
(( resid 35 and name HB2))
2.6 0.65 0.65
! peak number d 152 F1= 7.037 F2= 2.961 null null d= 2.4
assi (( resid 35 and name HD*))
(( resid 35 and name HB3))
2.4 0.61 0.61
! peak number d 1025 F1= 7.029 F2= 4.549 null null d= 4.0
assi (( resid 35 and name HD*))
(( resid 36 and name HA))
4.0 1.00 1.00
! peak number d 308 F1= 1.305 F2= 7.050 null null d= 3.1
assi (( resid 35 and name HD*))
(( resid 46 and name HB3) or ( resid 13 and name HG2*))
3.1 0.78 0.78
! peak number d 1325 F1= 2.325 F2= 7.046 null null d= 4.0
assi (( resid 35 and name HD*))
(( resid 46 and name HD*) or ( resid 37 and name HB3))
4.0 1.01 1.01
! peak number d 965 F1= 2.028 F2= 7.018 null null d= 3.1
assi (( resid 35 and name HD*) or ( resid 25 and name HE1))
(( resid 30 and name HB2) or ( resid 13 and name HB))
3.1 0.78 0.78
! peak number d 100 F1= 7.322 F2= -0.719 null null d= 3.2
assi (( resid 35 and name HE*))
(( resid 11 and name HG2*))
3.2 0.81 0.81
! peak number d 1047 F1= 7.322 F2= 1.833 null null d= 3.9
assi (( resid 35 and name HE*))
(( resid 12 and name HB2))
3.9 0.96 0.96
! peak number d 120 F1= 7.323 F2= 4.270 null null d= 2.9
assi (( resid 35 and name HE*))
(( resid 13 and name HA))
2.9 1.01 1.01
! peak number d 1164 F1= 1.061 F2= 7.323 null null d= 4.6
assi (( resid 35 and name HE*))
(( resid 13 and name HD1*))
4.6 1.15 1.15
! peak number d 166 F1= 7.325 F2= 3.564 null null d= 3.2
assi (( resid 35 and name HE*))
(( resid 22 and name HB2))
3.2 0.80 0.80
! peak number d 158 F1= 7.322 F2= 2.727 null null d= 3.2
assi (( resid 35 and name HE*))
(( resid 22 and name HB3))
3.2 0.79 0.79
! peak number d 206 F1= 5.320 F2= 7.329 null null d= 3.7
assi (( resid 35 and name HE*))
(( resid 24 and name HA))
3.7 0.91 0.91
! peak number d 155 F1= 7.324 F2= 2.840 null null d= 2.4
assi (( resid 35 and name HE*))
(( resid 24 and name HB*))
2.4 0.60 0.60
! peak number d 548 F1= 7.033 F2= 7.334 null null d= 2.1
assi (( resid 35 and name HE*))
(( resid 35 and name HD*))
2.1 0.53 0.53
! peak number d 546 F1= 7.323 F2= 6.965 null null d= 2.2
assi (( resid 35 and name HE*))
(( resid 35 and name HZ))
2.2 0.56 0.56
! peak number d 738 F1= 7.322 F2= 2.339 null null d= 3.5
assi (( resid 35 and name HE*))
(( resid 37 and name HB3))
3.5 0.89 0.89
! peak number d 1024 F1= 7.325 F2= 4.780 null null d= 4.2
assi (( resid 35 and name HE*))
(( resid 46 and name HA))
4.2 1.05 1.05
! peak number d 218 F1= 4.764 F2= 7.322 null null d= 3.0
assi (( resid 35 and name HE*))
(( resid 46 and name HA) or ( resid 37 and name HA))
3.0 0.75 0.75
! peak number d 961 F1= 7.330 F2= 1.568 null null d= 3.2
assi (( resid 35 and name HE*))
(( resid 46 and name HB2) or ( resid 13 and name HG1*))
3.2 0.80 0.80
! peak number d 80 F1= 7.329 F2= 1.326 null null d= 2.9
assi (( resid 35 and name HE*))
(( resid 46 and name HB3))
2.9 0.72 0.72
! peak number d 149 F1= 7.309 F2= 2.967 null null d= 3.2
assi (( resid 35 and name HE*) or ( resid 20 and name HE*))
(( resid 35 and name HB3) or ( resid 18 and name HE*) or ( resid 17 and name HE*))
3.2 0.80 0.80
! peak number d 752 F1= 7.339 F2= 3.747 null null d= 5.0
assi (( resid 35 and name HE*) or ( resid 27 and name HD1))
(( resid 28 and name HA) or ( resid 22 and name HG))
5.0 2.00 2.00
! peak number h 440 F1= 8.681 F2= 5.864 null null d= 3.5
assi (( resid 35 and name HN))
(( resid 23 and name HA))
3.5 0.88 0.88
! peak number h 1081 F1= 8.666 F2= 2.933 null null d= 4.3
assi (( resid 35 and name HN))
(( resid 23 and name HB2))
4.3 1.07 1.07
! peak number h 432 F1= 8.679 F2= 4.908 null null d= 2.3
assi (( resid 35 and name HN))
(( resid 34 and name HA))
2.3 0.57 0.57
! peak number h 647 F1= 8.676 F2= 1.984 null null d= 3.6
assi (( resid 35 and name HN))
(( resid 34 and name HB2))
3.6 0.90 0.90
! peak number h 646 F1= 8.674 F2= 1.882 null null d= 3.6
assi (( resid 35 and name HN))
(( resid 34 and name HB3))
3.6 0.91 0.91
! peak number h 630 F1= 8.674 F2= 4.787 null null d= 3.0
assi (( resid 35 and name HN))
(( resid 35 and name HA))
3.0 0.75 0.75
! peak number h 1082 F1= 2.960 F2= 8.669 null null d= 4.3
assi (( resid 35 and name HN))
(( resid 35 and name HB3))
4.3 1.07 1.07
! peak number h 213 F1= 8.678 F2= 7.030 null null d= 2.8
assi (( resid 35 and name HN))
(( resid 35 and name HD*))
2.8 0.71 0.71
! peak number h 764 F1= 8.685 F2= 8.475 null null d= 2.9
assi (( resid 35 and name HN))
(( resid 36 and name HN) or ( resid 22 and name HN))
2.9 0.72 0.72
! peak number d 1319 F1= 6.943 F2= 2.733 null null d= 3.7
assi (( resid 35 and name HZ))
(( resid 22 and name HB3))
3.7 0.93 0.93
! peak number h 164 F1= 6.953 F2= 2.324 null null d= 2.9
assi (( resid 35 and name HZ))
(( resid 37 and name HB3))
2.9 0.72 0.72
! peak number d 1235 F1= 6.953 F2= 4.271 null null d= 4.8
assi (( resid 35 and name HZ))
(( resid 42 and name HA1) or ( resid 13 and name HA))
4.8 1.20 1.20
! peak number d 79 F1= 6.950 F2= 1.333 null null d= 2.7
assi (( resid 35 and name HZ))
(( resid 46 and name HB3))
2.7 0.68 0.68
! peak number d 74 F1= 6.953 F2= 1.560 null null d= 3.0
assi (( resid 35 and name HZ) or ( resid 1 and name HH2))
(( resid 46 and name HB2) or ( resid 30 and name HD2))
3.0 0.74 0.74
! peak number d 746 F1= 6.936 F2= 0.331 null null d= 4.0
assi (( resid 35 and name HZ) or ( resid 24 and name HD*))
(( resid 11 and name HG1*))
4.0 1.00 1.00
! peak number d 102 F1= 6.939 F2= -0.719 null null d= 2.9
assi (( resid 35 and name HZ) or ( resid 24 and name HD*))
(( resid 11 and name HG2*))
2.9 0.74 0.74
! peak number d 1051 F1= 6.932 F2= 1.816 null null d= 3.8
assi (( resid 35 and name HZ) or ( resid 24 and name HD*))
(( resid 26 and name HB*) or ( resid 12 and name HB2))
3.8 0.95 0.95
! peak number d 277 F1= 2.835 F2= 6.949 null null d= 2.2
assi (( resid 35 and name HZ) or ( resid 24 and name HD*))
(( resid 37 and name HB2) or ( resid 24 and name HB*))
2.2 0.55 0.55
! peak number d 1243 F1= 3.218 F2= 6.940 null null d= 4.1
assi (( resid 35 and name HZ) or ( resid 24 and name HD*) or ( resid 1 and name HH2))
(( resid 30 and name HA) or ( resid 25 and name HB3) or ( resid 12 and name HD*) or ( resid 1 and name HB3))
4.1 1.02 1.02
! peak number d 759 F1= 6.933 F2= 3.902 null null d= 3.5
assi (( resid 35 and name HZ) or ( resid 24 and name HD*) or ( resid 1 and name HH2))
(( resid 4 and name HD2) or ( resid 11 and name HA))
3.5 0.89 0.89
! peak number d 1166 F1= 1.062 F2= 6.946 null null d= 4.5
assi (( resid 35 and name HZ) or ( resid 24 and name HD*) or ( resid 1 and name HH2))
(( resid 60 and name HG*) or ( resid 13 and name HD1*))
4.5 1.50 1.50
! peak number d 538 F1= 4.527 F2= 4.279 null null d= 2.5
assi (( resid 36 and name HA))
(( resid 21 and name HA))
2.5 0.61 0.61
! peak number d 356 F1= 0.947 F2= 4.538 null null d= 2.6
assi (( resid 36 and name HA))
(( resid 36 and name HB3))
2.6 0.65 0.65
! peak number d 881 F1= 0.803 F2= 4.539 null null d= 4.7
assi (( resid 36 and name HA))
(( resid 36 and name HD1*))
4.7 1.18 1.18
! peak number d 379 F1= 4.526 F2= 0.685 null null d= 2.5
assi (( resid 36 and name HA))
(( resid 36 and name HD2*))
2.5 0.62 0.62
! peak number d 908 F1= 4.529 F2= 0.819 null null d= 3.2
assi (( resid 36 and name HA) or ( resid 26 and name HA))
(( resid 36 and name HD1*) or ( resid 33 and name HD2*))
3.2 0.80 0.80
! peak number d 715 F1= 0.947 F2= 1.794 null null d= 1.9
assi (( resid 36 and name HB2))
(( resid 36 and name HB3))
1.9 0.47 0.47
! peak number d 716 F1= 0.791 F2= 1.763 null null d= 2.6
assi (( resid 36 and name HB2))
(( resid 36 and name HD1*))
2.6 0.65 0.65
! peak number d 836 F1= 1.774 F2= 0.682 null null d= 3.2
assi (( resid 36 and name HB2))
(( resid 36 and name HD2*))
3.2 0.80 0.80
! peak number d 839 F1= 1.505 F2= 0.821 null null d= 2.4
assi (( resid 36 and name HG))
(( resid 36 and name HD1*))
2.4 0.60 0.60
! peak number d 833 F1= 1.507 F2= 0.682 null null d= 2.6
assi (( resid 36 and name HG))
(( resid 36 and name HD2*))
2.6 0.65 0.65
! peak number h 641 F1= 8.445 F2= 3.337 null null d= 3.3
assi (( resid 36 and name HN))
(( resid 35 and name HB2))
3.3 0.84 0.84
! peak number h 74 F1= 8.439 F2= 2.955 null null d= 2.7
assi (( resid 36 and name HN))
(( resid 35 and name HB3))
2.7 0.68 0.68
! peak number h 214 F1= 8.449 F2= 7.037 null null d= 3.2
assi (( resid 36 and name HN))
(( resid 35 and name HD*))
3.2 0.79 0.79
! peak number h 50 F1= 8.436 F2= 1.757 null null d= 2.7
assi (( resid 36 and name HN))
(( resid 36 and name HB2))
2.7 0.68 0.68
! peak number h 643 F1= 8.448 F2= 0.951 null null d= 3.7
assi (( resid 36 and name HN))
(( resid 36 and name HB3))
3.7 1.10 1.10
! peak number h 1054 F1= 8.447 F2= 0.801 null null d= 3.8
assi (( resid 36 and name HN))
(( resid 36 and name HD1*))
3.8 0.95 0.95
! peak number h 651 F1= 8.438 F2= 1.505 null null d= 3.0
assi (( resid 36 and name HN))
(( resid 36 and name HG))
3.0 0.75 0.75
! peak number h 565 F1= 0.680 F2= 8.467 null null d= 3.3
assi (( resid 36 and name HN) or ( resid 22 and name HN))
(( resid 36 and name HD2*))
3.3 0.82 0.82
! peak number h 770 F1= 8.159 F2= 8.460 null null d= 2.8
assi (( resid 36 and name HN) or ( resid 22 and name HN))
(( resid 37 and name HN))
2.8 0.70 0.70
! peak number d 558 F1= 2.804 F2= 2.334 null null d= 2.6
assi (( resid 37 and name HB2))
(( resid 37 and name HB3))
2.6 0.65 0.65
! peak number d 1035 F1= 6.990 F2= 4.280 null null d= 4.0
assi (( resid 37 and name HD*))
(( resid 42 and name HA1) or ( resid 13 and name HA))
4.0 1.00 1.00
! peak number d 758 F1= 6.989 F2= 3.839 null null d= 3.2
assi (( resid 37 and name HD*))
(( resid 42 and name HA2))
3.2 0.79 0.79
! peak number d 1253 F1= 6.993 F2= 3.057 null null d= 3.9
assi (( resid 37 and name HD*) or ( resid 25 and name HE1))
(( resid 54 and name HD2) or ( resid 39 and name HA2))
3.9 0.97 0.97
! peak number d 1255 F1= 3.544 F2= 6.958 null null d= 4.0
assi (( resid 37 and name HD*) or ( resid 35 and name HZ))
(( resid 22 and name HB2))
4.0 1.00 1.00
! peak number d 290 F1= 2.326 F2= 6.969 null null d= 2.8
assi (( resid 37 and name HD*) or ( resid 35 and name HZ))
(( resid 37 and name HB3))
2.8 0.69 0.69
! peak number d 1111 F1= 4.261 F2= 6.965 null null d= 4.1
assi (( resid 37 and name HD*) or ( resid 35 and name HZ))
(( resid 42 and name HA1) or ( resid 13 and name HA))
4.1 1.02 1.02
! peak number d 297 F1= 1.552 F2= 6.959 null null d= 3.0
assi (( resid 37 and name HD*) or ( resid 35 and name HZ))
(( resid 46 and name HB2))
3.0 0.75 0.75
! peak number d 310 F1= 1.317 F2= 6.961 null null d= 2.7
assi (( resid 37 and name HD*) or ( resid 35 and name HZ))
(( resid 46 and name HB3))
2.7 0.68 0.68
! peak number d 1161 F1= 1.172 F2= 6.960 null null d= 3.2
assi (( resid 37 and name HD*) or ( resid 35 and name HZ))
(( resid 46 and name HG*))
3.2 0.80 0.80
! peak number h 143 F1= 6.955 F2= 1.556 null null d= 3.1
assi (( resid 37 and name HD*) or ( resid 35 and name HZ) or ( resid 1 and name HH2))
(( resid 46 and name HB2) or ( resid 30 and name HD2))
3.1 0.78 0.78
! peak number d 921 F1= 4.775 F2= 6.955 null null d= 4.0
assi (( resid 37 and name HD*) or ( resid 35 and name HZ) or ( resid 24 and name HD*))
(( resid 46 and name HA) or ( resid 35 and name HA))
4.0 1.00 1.00
! peak number d 963 F1= 2.814 F2= 7.145 null null d= 3.7
assi (( resid 37 and name HE*))
(( resid 37 and name HB2))
3.7 0.93 0.93
! peak number d 930 F1= 7.138 F2= 4.530 null null d= 3.7
assi (( resid 37 and name HE*))
(( resid 39 and name HA1))
3.7 0.93 0.93
! peak number d 150 F1= 7.139 F2= 3.047 null null d= 2.8
assi (( resid 37 and name HE*))
(( resid 39 and name HA2))
2.8 0.70 0.70
! peak number d 121 F1= 7.141 F2= 4.280 null null d= 3.2
assi (( resid 37 and name HE*))
(( resid 42 and name HA1))
3.2 0.81 0.81
! peak number d 164 F1= 7.141 F2= 3.841 null null d= 2.9
assi (( resid 37 and name HE*))
(( resid 42 and name HA2))
2.9 0.73 0.73
! peak number h 656 F1= 8.160 F2= 4.268 null null d= 3.7
assi (( resid 37 and name HN))
(( resid 21 and name HA) or ( resid 19 and name HA) or ( resid 13 and name HA))
3.7 0.93 0.93
! peak number h 101 F1= 8.157 F2= 4.531 null null d= 2.3
assi (( resid 37 and name HN))
(( resid 36 and name HA))
2.3 0.57 0.57
! peak number h 1056 F1= 8.150 F2= 0.941 null null d= 3.5
assi (( resid 37 and name HN))
(( resid 36 and name HB3))
3.5 0.88 0.88
! peak number h 854 F1= 8.160 F2= 0.673 null null d= 3.8
assi (( resid 37 and name HN))
(( resid 36 and name HD2*))
3.8 0.94 0.94
! peak number h 345 F1= 2.799 F2= 8.156 null null d= 2.5
assi (( resid 37 and name HN))
(( resid 37 and name HB2))
2.5 0.61 0.61
! peak number d 845 F1= 4.455 F2= 4.249 null null d= 2.7
assi (( resid 38 and name HA))
(( resid 19 and name HA))
2.7 0.70 0.70
! peak number d 438 F1= 4.457 F2= 3.519 null null d= 2.6
assi (( resid 38 and name HA))
(( resid 38 and name HB3))
2.6 0.65 0.65
! peak number d 504 F1= 3.509 F2= 3.818 null null d= 1.9
assi (( resid 38 and name HB2))
(( resid 38 and name HB3))
1.9 0.46 0.46
! peak number h 635 F1= 8.341 F2= 4.460 null null d= 2.9
assi (( resid 38 and name HN))
(( resid 38 and name HA))
2.9 0.72 0.72
! peak number h 324 F1= 3.518 F2= 8.342 null null d= 2.7
assi (( resid 38 and name HN))
(( resid 38 and name HB3))
2.7 0.69 0.69
! peak number h 103 F1= 8.343 F2= 4.384 null null d= 3.0
assi (( resid 38 and name HN))
(( resid 39 and name HN))
3.0 0.75 0.75
! peak number d 433 F1= 4.517 F2= 3.060 null null d= 2.1
assi (( resid 39 and name HA1))
(( resid 39 and name HA2))
2.1 0.99 0.99
! peak number h 1038 F1= 3.047 F2= 4.403 null null d= 2.5
assi (( resid 39 and name HN))
(( resid 39 and name HA2))
2.5 0.62 0.62
! peak number d 391 F1= 4.278 F2= 0.752 null null d= 3.2
assi (( resid 4 and name HA))
(( resid 4 and name HB2))
3.2 0.81 0.81
! peak number d 409 F1= 4.279 F2= 1.941 null null d= 2.5
assi (( resid 4 and name HA))
(( resid 4 and name HB3))
2.5 0.64 0.64
! peak number d 1078 F1= 4.278 F2= 3.694 null null d= 3.0
assi (( resid 4 and name HA))
(( resid 4 and name HD3))
3.0 0.75 0.75
! peak number d 708 F1= 0.729 F2= 1.937 null null d= 2.2
assi (( resid 4 and name HB3))
(( resid 4 and name HB2))
2.2 0.55 0.55
! peak number d 1197 F1= 3.677 F2= 3.903 null null d= 1.9
assi (( resid 4 and name HD2))
(( resid 4 and name HD3))
1.9 0.47 0.47
! peak number d 468 F1= 3.881 F2= 1.905 null null d= 2.7
assi (( resid 4 and name HD2))
(( resid 4 and name HG2))
2.7 0.67 0.67
! peak number d 640 F1= 1.586 F2= 3.898 null null d= 2.2
assi (( resid 4 and name HD2))
(( resid 4 and name HG3))
2.2 0.55 0.55
! peak number d 451 F1= 3.883 F2= 2.485 null null d= 3.4
assi (( resid 4 and name HD2))
(( resid 6 and name HB2) or ( resid 3 and name HB2))
3.4 0.85 0.85
! peak number d 426 F1= 3.867 F2= 1.599 null null d= 2.5
assi (( resid 4 and name HD2) or ( resid 34 and name HD3))
(( resid 4 and name HG3) or ( resid 33 and name HB2))
2.5 0.62 0.62
! peak number d 387 F1= 3.891 F2= 0.751 null null d= 3.4
assi (( resid 4 and name HD2) or ( resid 34 and name HD3))
(( resid 50 and name HD1*) or ( resid 4 and name HB2))
3.4 0.85 0.85
! peak number d 1374 F1= 1.779 F2= 3.690 null null d= 4.1
assi (( resid 4 and name HD3))
(( resid 3 and name HB3) or ( resid 2 and name HB2))
4.1 1.02 1.02
! peak number d 611 F1= 1.587 F2= 3.689 null null d= 3.4
assi (( resid 4 and name HD3))
(( resid 4 and name HG3))
3.4 0.84 0.84
! peak number d 467 F1= 3.680 F2= 1.903 null null d= 2.4
assi (( resid 4 and name HD3) or ( resid 10 and name HD3))
(( resid 4 and name HG2) or ( resid 10 and name HG3))
2.4 0.60 0.60
! peak number d 835 F1= 1.584 F2= 0.744 null null d= 3.0
assi (( resid 4 and name HG3))
(( resid 4 and name HB2))
3.0 0.76 0.76
! peak number d 1386 F1= 3.954 F2= 4.918 null null d= 3.3
assi (( resid 40 and name HA) or ( resid 34 and name HA))
(( resid 41 and name HA2) or ( resid 34 and name HD2))
3.3 0.82 0.82
! peak number h 126 F1= 7.534 F2= 2.616 null null d= 3.0
assi (( resid 40 and name HN))
(( resid 16 and name HB3))
3.0 0.76 0.76
! peak number h 664 F1= 7.531 F2= 4.393 null null d= 2.9
assi (( resid 40 and name HN))
(( resid 39 and name HN))
2.9 0.72 0.72
! peak number d 1074 F1= 4.098 F2= 1.590 null null d= 3.5
assi (( resid 41 and name HA1) or ( resid 3 and name HA))
(( resid 4 and name HG3) or ( resid 2 and name HB3) or ( resid 12 and name HG3))
3.5 0.88 0.88
! peak number h 428 F1= 8.816 F2= 4.890 null null d= 2.7
assi (( resid 41 and name HN))
(( resid 40 and name HA))
2.7 0.68 0.68
! peak number h 1097 F1= 8.811 F2= 3.221 null null d= 4.1
assi (( resid 41 and name HN))
(( resid 40 and name HB*))
4.1 1.02 1.02
! peak number h 30 F1= 8.815 F2= 4.069 null null d= 3.5
assi (( resid 41 and name HN))
(( resid 41 and name HA1))
3.5 0.88 0.88
! peak number h 32 F1= 8.813 F2= 3.959 null null d= 2.9
assi (( resid 41 and name HN))
(( resid 41 and name HA2))
2.9 0.71 0.71
! peak number h 606 F1= 8.814 F2= 8.517 null null d= 2.7
assi (( resid 41 and name HN))
(( resid 42 and name HN))
2.7 0.68 0.68
! peak number d 1077 F1= 4.274 F2= 3.200 null null d= 3.3
assi (( resid 42 and name HA1))
(( resid 12 and name HD*))
3.3 0.82 0.82
! peak number d 508 F1= 3.825 F2= 4.287 null null d= 1.9
assi (( resid 42 and name HA1))
(( resid 42 and name HA2))
1.9 0.47 0.47
! peak number d 416 F1= 4.250 F2= 1.823 null null d= 2.3
assi (( resid 42 and name HA1) or ( resid 19 and name HA))
(( resid 19 and name HB2) or ( resid 12 and name HB2))
2.3 0.59 0.59
! peak number d 1079 F1= 4.258 F2= 2.821 null null d= 4.1
assi (( resid 42 and name HA1) or ( resid 19 and name HA) or ( resid 13 and name HA))
(( resid 37 and name HB2))
4.1 1.02 1.02
! peak number d 1390 F1= 3.189 F2= 4.286 null null d= 3.3
assi (( resid 42 and name HA1) or ( resid 21 and name HA))
(( resid 20 and name HB2) or ( resid 12 and name HD*))
3.3 0.82 0.82
! peak number d 453 F1= 3.807 F2= 2.335 null null d= 3.5
assi (( resid 42 and name HA2) or ( resid 10 and name HD2))
(( resid 46 and name HD*) or ( resid 10 and name HB*))
3.5 0.88 0.88
! peak number h 215 F1= 8.521 F2= 6.991 null null d= 3.1
assi (( resid 42 and name HN))
(( resid 37 and name HD*))
3.1 0.78 0.78
! peak number h 612 F1= 8.522 F2= 7.144 null null d= 3.5
assi (( resid 42 and name HN))
(( resid 37 and name HE*))
3.5 0.86 0.86
! peak number h 425 F1= 8.525 F2= 4.073 null null d= 3.1
assi (( resid 42 and name HN))
(( resid 41 and name HA1))
3.1 0.78 0.78
! peak number h 424 F1= 8.520 F2= 3.965 null null d= 3.5
assi (( resid 42 and name HN))
(( resid 41 and name HA2))
3.5 0.88 0.88
! peak number h 316 F1= 3.834 F2= 8.512 null null d= 2.6
assi (( resid 42 and name HN))
(( resid 42 and name HA2))
2.6 0.66 0.66
! peak number d 23 F1= 4.820 F2= 2.762 null null d= 2.6
assi (( resid 43 and name HA))
(( resid 43 and name HB3))
2.6 0.65 0.65
! peak number d 902 F1= 4.823 F2= 1.023 null null d= 4.2
assi (( resid 43 and name HA))
(( resid 44 and name HB*))
4.2 1.05 1.05
! peak number d 12 F1= 4.820 F2= 3.472 null null d= 2.4
assi (( resid 43 and name HA) or ( resid 16 and name HA))
(( resid 43 and name HB2) or ( resid 16 and name HB2))
2.4 0.60 0.60
! peak number d 575 F1= 2.753 F2= 3.460 null null d= 1.9
assi (( resid 43 and name HB2))
(( resid 43 and name HB3))
1.9 0.47 0.47
! peak number d 1363 F1= 1.528 F2= 2.763 null null d= 4.7
assi (( resid 43 and name HB3))
(( resid 12 and name HB3))
4.7 1.18 1.18
! peak number d 1364 F1= 2.739 F2= 1.532 null null d= 4.1
assi (( resid 43 and name HB3) or ( resid 22 and name HB3))
(( resid 46 and name HB2) or ( resid 36 and name HG) or ( resid 12 and name HB3))
4.1 1.02 1.02
! peak number h 799 F1= 7.975 F2= 3.688 null null d= 3.9
assi (( resid 43 and name HD21))
(( resid 10 and name HD3))
3.9 0.97 0.97
! peak number h 876 F1= 1.633 F2= 7.973 null null d= 3.9
assi (( resid 43 and name HD21))
(( resid 12 and name HG2))
3.9 0.97 0.97
! peak number h 458 F1= 7.946 F2= 1.565 null null d= 3.1
assi (( resid 43 and name HD21))
(( resid 12 and name HG3))
3.1 0.79 0.79
! peak number h 443 F1= 7.976 F2= 3.494 null null d= 3.1
assi (( resid 43 and name HD21))
(( resid 43 and name HB2))
3.1 0.78 0.78
! peak number h 346 F1= 2.764 F2= 7.975 null null d= 2.7
assi (( resid 43 and name HD21))
(( resid 43 and name HB3))
2.7 0.68 0.68
! peak number h 652 F1= 8.444 F2= 1.613 null null d= 3.1
assi (( resid 43 and name HD22))
(( resid 12 and name HG3))
3.1 0.78 0.78
! peak number h 640 F1= 8.443 F2= 2.765 null null d= 3.9
assi (( resid 43 and name HD22))
(( resid 43 and name HB3))
3.9 0.97 0.97
! peak number h 221 F1= 8.450 F2= 7.971 null null d= 2.0
assi (( resid 43 and name HD22))
(( resid 43 and name HD21))
2.0 0.50 0.50
! peak number h 558 F1= 2.271 F2= 8.433 null null d= 3.1
assi (( resid 43 and name HD22))
(( resid 9 and name HG2))
3.1 0.78 0.78
! peak number h 450 F1= 8.438 F2= 2.233 null null d= 3.0
assi (( resid 43 and name HD22))
(( resid 9 and name HG2) or ( resid 9 and name HB*))
3.0 0.75 0.75
! peak number h 1061 F1= 1.843 F2= 8.369 null null d= 3.7
assi (( resid 43 and name HN))
(( resid 12 and name HB2))
3.7 0.93 0.93
! peak number h 918 F1= 1.532 F2= 8.369 null null d= 3.6
assi (( resid 43 and name HN))
(( resid 12 and name HB3))
3.6 0.90 0.90
! peak number h 99 F1= 8.364 F2= 4.275 null null d= 2.5
assi (( resid 43 and name HN))
(( resid 42 and name HA1))
2.5 0.62 0.62
! peak number h 633 F1= 8.375 F2= 4.821 null null d= 2.6
assi (( resid 43 and name HN))
(( resid 43 and name HA))
2.6 0.65 0.65
! peak number h 317 F1= 3.830 F2= 8.365 null null d= 2.5
assi (( resid 43 and name HN) or ( resid 38 and name HN))
(( resid 42 and name HA2) or ( resid 38 and name HB2))
2.5 0.62 0.62
! peak number d 384 F1= 4.084 F2= 1.026 null null d= 2.6
assi (( resid 44 and name HA))
(( resid 44 and name HB*))
2.6 0.66 0.66
! peak number d 1393 F1= 3.493 F2= 4.107 null null d= 3.7
assi (( resid 44 and name HA) or ( resid 3 and name HA))
(( resid 43 and name HB2) or ( resid 3 and name HD2))
3.7 0.93 0.93
! peak number d 448 F1= 4.097 F2= 3.503 null null d= 3.3
assi (( resid 44 and name HA) or ( resid 41 and name HA1) or ( resid 3 and name HA) or ( resid 15 and name HB2))
(( resid 43 and name HB2) or ( resid 38 and name HB3) or ( resid 3 and name HD2))
3.3 0.82 0.82
! peak number d 431 F1= 4.649 F2= 3.131 null null d= 2.7
assi (( resid 45 and name HA))
(( resid 45 and name HB2))
2.7 0.68 0.68
! peak number d 435 F1= 4.652 F2= 2.888 null null d= 2.6
assi (( resid 45 and name HA))
(( resid 45 and name HB3))
2.6 0.65 0.65
! peak number d 383 F1= 4.660 F2= 0.997 null null d= 3.1
assi (( resid 45 and name HA) or ( resid 31 and name HA))
(( resid 58 and name HD2*) or ( resid 58 and name HD1*) or ( resid 44 and name HB*))
3.1 0.78 0.78
! peak number d 552 F1= 2.867 F2= 2.219 null null d= 3.1
assi (( resid 45 and name HB3))
(( resid 9 and name HB*))
3.1 0.78 0.78
! peak number h 542 F1= 2.841 F2= 8.345 null null d= 3.2
assi (( resid 45 and name HD21))
(( resid 24 and name HB*))
3.2 0.3 0.3
! peak number h 220 F1= 8.344 F2= 7.952 null null d= 2.0
assi (( resid 45 and name HD21))
(( resid 45 and name HD22))
2.0 0.50 0.50
! peak number h 298 F1= 6.937 F2= 8.339 null null d= 2.9
assi (( resid 45 and name HD21))
(( resid 24 and name HD*))
2.9 0.3 0.3
! peak number h 56 F1= 8.342 F2= 1.297 null null d= 3.4
assi (( resid 45 and name HD21) or ( resid 38 and name HN))
(( resid 46 and name HB3) or ( resid 13 and name HG2*))
3.4 0.85 0.85
! peak number h 970 F1= 7.141 F2= 8.339 null null d= 3.8
assi (( resid 45 and name HD21) or ( resid 38 and name HN))
(( resid 47 and name HD*) or ( resid 37 and name HE*))
3.8 0.95 0.95
! peak number h 768 F1= 8.340 F2= 7.312 null null d= 4.0
assi (( resid 45 and name HD21) or ( resid 38 and name HN))
(( resid 5 and name HH2) or ( resid 35 and name HE*) or ( resid 15 and name HN))
4.0 1.00 1.00
! peak number h 419 F1= 7.964 F2= 7.233 null null d= 3.5
assi (( resid 45 and name HD22))
(( resid 9 and name HN))
3.5 0.3 0.3
! peak number h 541 F1= 2.872 F2= 7.960 null null d= 2.5
assi (( resid 45 and name HD22))
(( resid 45 and name HB3))
2.5 0.3 0.3
! peak number h 340 F1= 3.131 F2= 7.964 null null d= 2.5
assi (( resid 45 and name HD22))
(( resid 45 and name HB2))
2.5 0.3 0.3
! peak number h xxx F1= 2.872 F2= 7.960 null null d= 3.0
assi (( resid 45 and name HD22))
(( resid 45 and name OD1))
3.0 0.3 0.3
! peak number h xxx F1= 2.872 F2= 7.960 null null d= 2.3
assi (( resid 45 and name HD21))
(( resid 45 and name OD1))
2.3 0.3 0.3
! peak number h 856 F1= 7.547 F2= 1.017 null null d= 4.0
assi (( resid 45 and name HN))
(( resid 44 and name HB*))
4.0 1.00 1.00
! peak number h 119 F1= 7.558 F2= 3.120 null null d= 3.0
assi (( resid 45 and name HN))
(( resid 45 and name HB2))
3.0 0.76 0.76
! peak number h 123 F1= 7.551 F2= 2.881 null null d= 3.0
assi (( resid 45 and name HN))
(( resid 45 and name HB3))
3.0 0.74 0.74
! peak number d 1209 F1= 1.553 F2= 4.787 null null d= 3.1
assi (( resid 46 and name HA))
(( resid 46 and name HB2))
3.1 0.77 0.77
! peak number d 1188 F1= 1.322 F2= 4.803 null null d= 2.6
assi (( resid 46 and name HA))
(( resid 46 and name HB3))
2.6 0.65 0.65
! peak number d 903 F1= 4.763 F2= 1.154 null null d= 3.0
assi (( resid 46 and name HA))
(( resid 46 and name HG*))
3.0 0.75 0.75
! peak number d 710 F1= 1.156 F2= 2.341 null null d= 2.6
assi (( resid 46 and name HD*))
(( resid 46 and name HG*))
2.6 0.65 0.65
! peak number h 197 F1= 6.694 F2= 2.325 null null d= 2.7
assi (( resid 46 and name HE))
(( resid 46 and name HD*) or ( resid 37 and name HB3))
2.7 0.66 0.66
! peak number h 277 F1= 6.688 F2= 6.119 null null d= 2.6
assi (( resid 46 and name HE))
(( resid 46 and name HH*))
2.6 0.65 0.65
! peak number h 185 F1= 6.690 F2= 1.310 null null d= 3.2
assi (( resid 46 and name HE) or ( resid 19 and name HE21))
(( resid 46 and name HB3) or ( resid 13 and name HG2*))
3.2 0.80 0.80
! peak number h 713 F1= 2.324 F2= 6.119 null null d= 3.2
assi (( resid 46 and name HH*))
(( resid 46 and name HD*))
3.2 0.81 0.81
! peak number h 939 F1= 2.835 F2= 6.556 null null d= 5.0
assi (( resid 46 and name HH*) or ( resid 24 and name HE*))
(( resid 37 and name HB2) or ( resid 24 and name HB*))
5.0 1.25 1.25
! peak number h 183 F1= 6.562 F2= 1.580 null null d= 2.7
assi (( resid 46 and name HH*))
(( resid 12 and name HG3))
2.7 0.68 0.68
! peak number h 849 F1= 6.403 F2= 1.552 null null d= 3.5
assi (( resid 46 and name HN))
(( resid 46 and name HB2))
3.5 0.88 0.88
! peak number h 186 F1= 6.399 F2= 1.310 null null d= 3.3
assi (( resid 46 and name HN))
(( resid 46 and name HB3))
3.3 0.82 0.82
! peak number d 16 F1= 4.977 F2= 3.354 null null d= 2.5
assi (( resid 47 and name HA))
(( resid 47 and name HB2))
2.5 0.64 0.64
! peak number d 33 F1= 4.978 F2= 2.588 null null d= 2.9
assi (( resid 47 and name HA))
(( resid 47 and name HB3))
2.9 0.72 0.72
! peak number d 1337 F1= 4.977 F2= 2.338 null null d= 3.9
assi (( resid 47 and name HA))
(( resid 52 and name HG3) or ( resid 48 and name HB3) or ( resid 46 and name HD*))
3.9 0.97 0.97
! peak number d 1068 F1= 4.981 F2= 2.171 null null d= 4.1
assi (( resid 47 and name HA))
(( resid 53 and name HA) or ( resid 52 and name HB*))
4.1 1.02 1.02
! peak number d 1205 F1= 2.712 F2= 3.350 null null d= 2.8
assi (( resid 47 and name HB2))
(( resid 23 and name HB3))
2.8 0.70 0.70
! peak number d 551 F1= 3.336 F2= 2.336 null null d= 3.4
assi (( resid 47 and name HB2))
(( resid 52 and name HG3))
3.4 0.85 0.85
! peak number d 580 F1= 2.173 F2= 3.355 null null d= 2.4
assi (( resid 47 and name HB2) or ( resid 3 and name HD3))
(( resid 52 and name HB*) or ( resid 3 and name HG2))
2.4 0.60 0.60
! peak number d 207 F1= 5.318 F2= 7.120 null null d= 3.0
assi (( resid 47 and name HD*))
(( resid 24 and name HA))
3.0 0.74 0.74
! peak number d 916 F1= 4.974 F2= 7.138 null null d= 3.2
assi (( resid 47 and name HD*))
(( resid 47 and name HA))
3.2 0.79 0.79
! peak number d 267 F1= 3.335 F2= 7.139 null null d= 3.3
assi (( resid 47 and name HD*))
(( resid 47 and name HB2))
3.3 0.82 0.82
! peak number d 286 F1= 2.573 F2= 7.139 null null d= 3.2
assi (( resid 47 and name HD*))
(( resid 47 and name HB3))
3.2 0.79 0.79
! peak number d 1323 F1= 2.186 F2= 7.118 null null d= 3.1
assi (( resid 47 and name HD*))
(( resid 53 and name HA))
3.1 0.78 0.78
! peak number d 755 F1= 7.140 F2= 2.819 null null d= 3.4
assi (( resid 47 and name HD*) or ( resid 37 and name HE*))
(( resid 37 and name HB2) or ( resid 24 and name HB*))
3.4 0.85 0.85
! peak number d 1315 F1= 1.309 F2= 7.134 null null d= 4.2
assi (( resid 47 and name HD*) or ( resid 37 and name HE*))
(( resid 46 and name HB3))
4.2 1.05 1.05
! peak number d 291 F1= 2.327 F2= 7.149 null null d= 3.3
assi (( resid 47 and name HD*) or ( resid 37 and name HE*))
(( resid 52 and name HG3) or ( resid 46 and name HD*))
3.3 0.82 0.82
! peak number d 1414 F1= 7.948 F2= 4.157 null null d= 4.9
assi (( resid 47 and name HE*))
(( resid 56 and name HA))
4.9 1.23 1.23
! peak number d 1307 F1= 1.747 F2= 7.954 null null d= 2.9
assi (( resid 47 and name HE*))
(( resid 56 and name HD3))
2.9 0.99 0.99
! peak number h 108 F1= 9.488 F2= 9.145 null null d= 2.7
assi (( resid 47 and name HN))
(( resid 23 and name HN))
2.7 0.69 0.69
! peak number h 777 F1= 7.319 F2= 9.487 null null d= 4.1
assi (( resid 47 and name HN))
(( resid 35 and name HE*))
4.1 1.40 1.40
! peak number h 836 F1= 9.483 F2= 1.319 null null d= 3.3
assi (( resid 47 and name HN))
(( resid 46 and name HB3))
3.3 0.82 0.82
! peak number h 1041 F1= 9.481 F2= 1.158 null null d= 3.4
assi (( resid 47 and name HN))
(( resid 46 and name HG*))
3.4 0.85 0.85
! peak number h 412 F1= 9.490 F2= 4.983 null null d= 2.8
assi (( resid 47 and name HN))
(( resid 47 and name HA))
2.8 0.70 0.70
! peak number h 23 F1= 9.485 F2= 2.565 null null d= 3.0
assi (( resid 47 and name HN))
(( resid 47 and name HB3))
3.0 0.74 0.74
! peak number h 946 F1= 9.484 F2= 7.122 null null d= 3.2
assi (( resid 47 and name HN))
(( resid 47 and name HD*))
3.2 0.80 0.80
! peak number d 412 F1= 4.565 F2= 2.371 null null d= 2.5
assi (( resid 48 and name HA))
(( resid 48 and name HB2))
2.5 0.64 0.64
! peak number d 532 F1= 2.328 F2= 4.568 null null d= 3.2
assi (( resid 48 and name HA))
(( resid 48 and name HB3))
3.2 0.80 0.80
! peak number d 1217 F1= 2.632 F2= 4.564 null null d= 3.8
assi (( resid 48 and name HA))
(( resid 48 and name HG2))
3.8 0.94 0.94
! peak number d 1218 F1= 2.557 F2= 4.576 null null d= 3.6
assi (( resid 48 and name HA))
(( resid 48 and name HG3))
3.6 1.00 1.00
! peak number h 232 F1= 6.836 F2= 7.426 null null d= 1.9
assi (( resid 48 and name HE22))
(( resid 48 and name HE21))
1.9 0.46 0.46
! peak number h 692 F1= 7.438 F2= 2.533 null null d= 3.6
assi (( resid 48 and name HE22))
(( resid 52 and name HG2))
3.6 0.90 0.90
! peak number h 757 F1= 2.543 F2= 7.435 null null d= 3.4
assi (( resid 48 and name HE22))
(( resid 52 and name HG2) or ( resid 48 and name HG3))
3.4 0.85 0.85
! peak number h 462 F1= 7.414 F2= 2.171 null null d= 3.3
assi (( resid 48 and name HE22) or ( resid 23 and name HE*))
(( resid 52 and name HB*) or ( resid 34 and name HG*))
3.3 0.82 0.82
! peak number h 1076 F1= 7.407 F2= 1.273 null null d= 4.4
assi (( resid 48 and name HE22) or ( resid 23 and name HE*) or ( resid 19 and name HE22))
(( resid 49 and name HG2*) or ( resid 18 and name HG2))
4.4 1.10 1.10
! peak number h 36 F1= 9.413 F2= 4.977 null null d= 2.4
assi (( resid 48 and name HN))
(( resid 47 and name HA))
2.4 0.60 0.60
! peak number h 18 F1= 9.412 F2= 3.330 null null d= 3.1
assi (( resid 48 and name HN))
(( resid 47 and name HB2))
3.1 0.78 0.78
! peak number h 416 F1= 9.419 F2= 4.567 null null d= 3.0
assi (( resid 48 and name HN))
(( resid 48 and name HA))
3.0 0.75 0.75
! peak number h 791 F1= 9.410 F2= 2.644 null null d= 3.5
assi (( resid 48 and name HN))
(( resid 48 and name HG2))
3.5 0.89 0.89
! peak number h 423 F1= 9.413 F2= 2.564 null null d= 3.2
assi (( resid 48 and name HN))
(( resid 48 and name HG3) or ( resid 47 and name HB3))
3.2 0.80 0.80
! peak number h 26 F1= 9.413 F2= 7.330 null null d= 2.8
assi (( resid 48 and name HN))
(( resid 49 and name HN))
2.8 0.70 0.70
! peak number h 1059 F1= 2.126 F2= 9.408 null null d= 3.7
assi (( resid 48 and name HN))
(( resid 52 and name HB*))
3.7 0.93 0.93
! peak number h 333 F1= 2.352 F2= 9.410 null null d= 2.5
assi (( resid 48 and name HN))
(( resid 52 and name HG3))
2.5 0.62 0.62
! peak number h 24 F1= 9.415 F2= 2.345 null null d= 2.6
assi (( resid 48 and name HN))
(( resid 52 and name HG3) or ( resid 48 and name HB3))
2.6 0.65 0.65
! peak number d 45 F1= 4.820 F2= 1.280 null null d= 2.6
assi (( resid 49 and name HA))
(( resid 49 and name HG2*))
2.6 0.65 0.65
! peak number d 901 F1= 4.818 F2= 0.673 null null d= 4.0
assi (( resid 49 and name HA) or ( resid 35 and name HA))
(( resid 50 and name HG2*) or ( resid 50 and name HB) or ( resid 36 and name HD2*))
4.0 1.00 1.00
! peak number d 430 F1= 4.446 F2= 1.288 null null d= 2.3
assi (( resid 49 and name HB))
(( resid 49 and name HG2*))
2.3 0.57 0.57
! peak number d 906 F1= 4.446 F2= 0.679 null null d= 3.6
assi (( resid 49 and name HB))
(( resid 50 and name HG2*) or ( resid 50 and name HB))
3.6 0.90 0.90
! peak number h 485 F1= 7.333 F2= 3.331 null null d= 3.2
assi (( resid 49 and name HN))
(( resid 47 and name HB2))
3.2 0.81 0.81
! peak number h 804 F1= 7.335 F2= 2.561 null null d= 3.8
assi (( resid 49 and name HN))
(( resid 48 and name HG3) or ( resid 47 and name HB3))
3.8 0.95 0.95
! peak number h 161 F1= 7.335 F2= 2.156 null null d= 2.8
assi (( resid 49 and name HN))
(( resid 52 and name HB*))
2.8 0.70 0.70
! peak number h 146 F1= 7.322 F2= 1.287 null null d= 2.6
assi (( resid 49 and name HN) or ( resid 20 and name HE*))
(( resid 49 and name HG2*) or ( resid 18 and name HG2))
2.6 0.65 0.65
! peak number h 463 F1= 7.333 F2= 2.334 null null d= 3.3
assi (( resid 49 and name HN) or ( resid 35 and name HE*))
(( resid 48 and name HB3) or ( resid 37 and name HB3))
3.3 0.82 0.82
! peak number h 398 F1= 1.299 F2= 7.318 null null d= 2.6
assi (( resid 49 and name HN) or ( resid 35 and name HE*) or ( resid 20 and name HE*))
(( resid 49 and name HG2*) or ( resid 46 and name HB3) or ( resid 18 and name HG2))
2.6 0.65 0.65
! peak number d 444 F1= 4.036 F2= 3.234 null null d= 2.6
assi (( resid 5 and name HA))
(( resid 5 and name HB2))
2.6 0.65 0.65
! peak number d 445 F1= 4.032 F2= 3.355 null null d= 2.7
assi (( resid 5 and name HA))
(( resid 5 and name HB3))
2.7 0.68 0.68
! peak number d 1296 F1= 1.187 F2= 4.043 null null d= 3.9
assi (( resid 5 and name HA))
(( resid 8 and name HB3))
3.9 0.97 0.97
! peak number d 1014 F1= 4.030 F2= 1.004 null null d= 3.6
assi (( resid 5 and name HA))
(( resid 8 and name HD*))
3.6 0.90 0.90
! peak number d 1092 F1= 4.031 F2= 0.478 null null d= 4.7
assi (( resid 5 and name HA))
(( resid 8 and name HG2))
4.7 1.18 1.18
! peak number d 1395 F1= 4.275 F2= 7.514 null null d= 4.5
assi (( resid 5 and name HD1))
(( resid 4 and name HA))
4.5 1.14 1.14
! peak number d 1044 F1= 7.507 F2= 0.739 null null d= 4.7
assi (( resid 5 and name HD1))
(( resid 4 and name HB2))
4.7 1.18 1.18
! peak number d 1046 F1= 7.507 F2= 1.940 null null d= 4.8
assi (( resid 5 and name HD1))
(( resid 4 and name HB3))
4.8 1.20 1.20
! peak number d 1107 F1= 4.032 F2= 7.526 null null d= 3.3
assi (( resid 5 and name HD1))
(( resid 5 and name HA))
3.3 0.82 0.82
! peak number d 141 F1= 7.506 F2= 3.240 null null d= 3.2
assi (( resid 5 and name HD1))
(( resid 5 and name HB2))
3.2 0.79 0.79
! peak number d 137 F1= 7.506 F2= 3.367 null null d= 3.7
assi (( resid 5 and name HD1))
(( resid 5 and name HB3))
3.7 0.93 0.93
! peak number d 1058 F1= 6.186 F2= 7.530 null null d= 4.4
assi (( resid 5 and name HD1))
(( resid 6 and name HD*))
4.4 1.09 1.09
! peak number h 781 F1= 7.518 F2= 5.226 null null d= 4.4
assi (( resid 5 and name HD1))
(( resid 6 and name HN))
4.4 1.10 1.10
! peak number h 282 F1= 7.519 F2= 10.576 null null d= 2.7
assi (( resid 5 and name HE1))
(( resid 5 and name HD1))
2.7 0.68 0.68
! peak number h 2 F1= 10.581 F2= 7.615 null null d= 3.0
assi (( resid 5 and name HE1))
(( resid 5 and name HZ2))
3.0 0.74 0.74
! peak number h 421 F1= 6.205 F2= 10.584 null null d= 3.5
assi (( resid 5 and name HE1))
(( resid 6 and name HD*))
3.5 0.86 0.86
! peak number d 1294 F1= 7.433 F2= 1.016 null null d= 4.4
assi (( resid 5 and name HE3))
(( resid 44 and name HB*))
4.4 1.10 1.10
! peak number d 762 F1= 7.434 F2= 4.666 null null d= 3.5
assi (( resid 5 and name HE3))
(( resid 45 and name HA))
3.5 0.86 0.86
! peak number d 929 F1= 4.030 F2= 7.443 null null d= 4.3
assi (( resid 5 and name HE3))
(( resid 5 and name HA))
4.3 1.09 1.09
! peak number d 750 F1= 7.433 F2= 3.234 null null d= 3.5
assi (( resid 5 and name HE3))
(( resid 5 and name HB2))
3.5 0.87 0.87
! peak number d 136 F1= 7.433 F2= 3.363 null null d= 2.8
assi (( resid 5 and name HE3))
(( resid 5 and name HB3))
2.8 0.69 0.69
! peak number h 247 F1= 7.211 F2= 7.430 null null d= 2.2
assi (( resid 5 and name HE3))
(( resid 5 and name HZ3))
2.2 0.55 0.55
! peak number d 737 F1= 7.434 F2= 1.759 null null d= 3.4
assi (( resid 5 and name HE3))
(( resid 56 and name HD3) or ( resid 3 and name HB3))
3.4 0.85 0.85
! peak number d 1157 F1= 1.744 F2= 7.444 null null d= 3.2
assi (( resid 5 and name HE3))
(( resid 56 and name HD3) or ( resid 56 and name HB*))
3.2 0.80 0.80
! peak number d 165 F1= 7.433 F2= 3.637 null null d= 3.4
assi (( resid 5 and name HE3))
(( resid 6 and name HA))
3.4 0.84 0.84
! peak number d 1406 F1= 2.482 F2= 7.439 null null d= 4.8
assi (( resid 5 and name HE3))
(( resid 6 and name HB2))
4.8 1.19 1.19
! peak number d 178 F1= 7.434 F2= 6.199 null null d= 3.1
assi (( resid 5 and name HE3))
(( resid 6 and name HD*))
3.1 0.78 0.78
! peak number d 1293 F1= 1.008 F2= 7.439 null null d= 4.7
assi (( resid 5 and name HE3))
(( resid 8 and name HD*) or ( resid 44 and name HB*))
4.7 1.18 1.18
! peak number d 1397 F1= 4.495 F2= 7.442 null null d= 4.3
assi (( resid 5 and name HE3))
(( resid 9 and name HA) or ( resid 7 and name HA))
4.3 1.09 1.09
! peak number d 739 F1= 7.431 F2= 2.572 null null d= 3.4
assi (( resid 5 and name HE3))
(( resid 9 and name HG3))
3.4 0.85 0.85
! peak number d 970 F1= 0.866 F2= 7.423 null null d= 3.5
assi (( resid 5 and name HE3) or ( resid 23 and name HE*))
(( resid 6 and name HB3) or ( resid 50 and name HG1*))
3.5 0.88 0.88
! peak number h 1066 F1= 7.422 F2= 1.741 null null d= 3.6
assi (( resid 5 and name HE3) or ( resid 48 and name HE22))
(( resid 56 and name HD3) or ( resid 56 and name HB*))
3.6 0.90 0.90
! peak number d 808 F1= 1.014 F2= 7.325 null null d= 3.6
assi (( resid 5 and name HH2))
(( resid 44 and name HB*))
3.6 0.89 0.89
! peak number d 1291 F1= 7.321 F2= 0.870 null null d= 5.2
assi (( resid 5 and name HH2))
(( resid 6 and name HB3))
5.2 1.40 1.40
! peak number d 1238 F1= 7.319 F2= 2.570 null null d= 4.3
assi (( resid 5 and name HH2) or ( resid 35 and name HE*))
(( resid 9 and name HG3) or ( resid 47 and name HB3))
4.3 1.08 1.08
! peak number d 1240 F1= 7.336 F2= 2.199 null null d= 4.5
assi (( resid 5 and name HH2) or ( resid 35 and name HE*) or ( resid 27 and name HD1))
(( resid 9 and name HB*) or ( resid 8 and name HE*) or ( resid 53 and name HA))
4.5 1.20 1.20
! peak number h 100 F1= 8.242 F2= 4.281 null null d= 2.7
assi (( resid 5 and name HN))
(( resid 4 and name HA))
2.7 0.70 0.70
! peak number h 645 F1= 8.237 F2= 1.920 null null d= 3.6
assi (( resid 5 and name HN))
(( resid 4 and name HB3))
3.6 0.90 0.90
! peak number h 519 F1= 4.043 F2= 8.239 null null d= 3.1
assi (( resid 5 and name HN))
(( resid 5 and name HA))
3.1 0.77 0.77
! peak number h 342 F1= 3.242 F2= 8.234 null null d= 2.8
assi (( resid 5 and name HN))
(( resid 5 and name HB2))
2.8 0.70 0.70
! peak number h 525 F1= 3.369 F2= 8.229 null null d= 3.3
assi (( resid 5 and name HN))
(( resid 5 and name HB3))
3.3 0.82 0.82
! peak number h 263 F1= 7.516 F2= 8.234 null null d= 2.7
assi (( resid 5 and name HN))
(( resid 5 and name HD1))
2.7 0.68 0.68
! peak number h 437 F1= 8.235 F2= 5.219 null null d= 3.5
assi (( resid 5 and name HN))
(( resid 6 and name HN))
3.5 0.88 0.88
! peak number d 1162 F1= 1.011 F2= 7.619 null null d= 4.0
assi (( resid 5 and name HZ2))
(( resid 44 and name HB*))
4.0 1.00 1.00
! peak number h 252 F1= 7.318 F2= 7.614 null null d= 2.2
assi (( resid 5 and name HZ2))
(( resid 5 and name HH2))
2.2 0.55 0.55
! peak number d 1228 F1= 7.640 F2= 2.001 null null d= 3.6
assi (( resid 5 and name HZ2))
(( resid 56 and name HD2))
3.6 0.90 0.90
! peak number d 779 F1= 7.606 F2= 6.195 null null d= 4.0
assi (( resid 5 and name HZ2))
(( resid 6 and name HD*))
4.0 0.99 0.99
! peak number d 1163 F1= 1.015 F2= 7.223 null null d= 4.1
assi (( resid 5 and name HZ3))
(( resid 44 and name HB*))
4.1 1.02 1.02
! peak number d 1154 F1= 3.630 F2= 7.228 null null d= 3.8
assi (( resid 5 and name HZ3))
(( resid 6 and name HA))
3.8 0.94 0.94
! peak number d 1420 F1= 0.860 F2= 7.213 null null d= 4.5
assi (( resid 5 and name HZ3))
(( resid 6 and name HB3))
4.5 1.13 1.13
! peak number d 161 F1= 7.210 F2= 2.569 null null d= 3.0
assi (( resid 5 and name HZ3))
(( resid 9 and name HG3))
3.0 0.74 0.74
! peak number d 61 F1= 7.230 F2= 2.200 null null d= 3.2
assi (( resid 5 and name HZ3) or ( resid 27 and name HH2))
(( resid 9 and name HB*) or ( resid 8 and name HE*) or ( resid 3 and name HG2))
3.2 0.79 0.79
! peak number d 560 F1= 3.075 F2= 0.665 null null d= 2.5
assi (( resid 50 and name HA))
(( resid 50 and name HB))
2.5 0.62 0.62
! peak number d 561 F1= 3.073 F2= 0.778 null null d= 3.2
assi (( resid 50 and name HA))
(( resid 50 and name HD1*))
3.2 0.80 0.80
! peak number d 678 F1= 0.866 F2= 3.087 null null d= 2.5
assi (( resid 50 and name HA))
(( resid 50 and name HG1*))
2.5 0.62 0.62
! peak number h 767 F1= 8.252 F2= 6.787 null null d= 4.0
assi (( resid 50 and name HN))
(( resid 23 and name HD*))
4.0 1.00 1.00
! peak number h 211 F1= 8.246 F2= 7.414 null null d= 3.0
assi (( resid 50 and name HN))
(( resid 23 and name HE*))
3.0 0.76 0.76
! peak number h 434 F1= 8.258 F2= 4.820 null null d= 2.3
assi (( resid 50 and name HN))
(( resid 49 and name HA))
2.3 0.57 0.57
! peak number h 105 F1= 8.247 F2= 4.447 null null d= 2.3
assi (( resid 50 and name HN))
(( resid 49 and name HB))
2.3 0.57 0.57
! peak number h 644 F1= 8.252 F2= 1.276 null null d= 3.4
assi (( resid 50 and name HN))
(( resid 49 and name HG2*))
3.4 0.85 0.85
! peak number h 93 F1= 8.258 F2= 3.078 null null d= 3.0
assi (( resid 50 and name HN))
(( resid 50 and name HA))
3.0 0.75 0.75
! peak number h 60 F1= 8.264 F2= 0.655 null null d= 2.3
assi (( resid 50 and name HN))
(( resid 50 and name HG2*) or ( resid 50 and name HB))
2.3 0.57 0.57
! peak number d 1096 F1= 3.766 F2= 0.679 null null d= 4.4
assi (( resid 51 and name HA1))
(( resid 50 and name HG2*))
4.4 1.10 1.10
! peak number d 505 F1= 3.595 F2= 3.791 null null d= 1.9
assi (( resid 51 and name HA1))
(( resid 51 and name HA2))
1.9 0.46 0.46
! peak number d 1379 F1= 1.700 F2= 3.783 null null d= 3.8
assi (( resid 51 and name HA1))
(( resid 54 and name HB*))
3.8 0.95 0.95
! peak number d 1010 F1= 3.804 F2= 2.582 null null d= 3.4
assi (( resid 51 and name HA1) or ( resid 10 and name HD2))
(( resid 9 and name HG3) or ( resid 32 and name HB3))
3.4 0.85 0.85
! peak number d 1199 F1= 3.080 F2= 3.596 null null d= 3.2
assi (( resid 51 and name HA2))
(( resid 54 and name HD2) or ( resid 50 and name HA))
3.2 0.80 0.80
! peak number h 797 F1= 8.218 F2= 3.075 null null d= 3.5
assi (( resid 51 and name HN))
(( resid 50 and name HA))
3.5 0.88 0.88
! peak number h 63 F1= 8.210 F2= 0.654 null null d= 2.7
assi (( resid 51 and name HN))
(( resid 50 and name HG2*))
2.7 0.68 0.68
! peak number h 321 F1= 3.793 F2= 8.219 null null d= 2.5
assi (( resid 51 and name HN))
(( resid 51 and name HA1))
2.5 0.64 0.64
! peak number h 523 F1= 3.610 F2= 8.223 null null d= 2.9
assi (( resid 51 and name HN))
(( resid 51 and name HA2))
2.9 0.72 0.72
! peak number h 207 F1= 8.216 F2= 7.664 null null d= 2.8
assi (( resid 51 and name HN))
(( resid 52 and name HN))
2.8 0.71 0.71
! peak number h 623 F1= 6.783 F2= 8.245 null null d= 3.9
assi (( resid 51 and name HN) or ( resid 50 and name HN))
(( resid 23 and name HD*))
3.9 0.97 0.97
! peak number h 341 F1= 3.077 F2= 8.240 null null d= 2.9
assi (( resid 51 and name HN) or ( resid 50 and name HN))
(( resid 50 and name HA))
2.9 0.72 0.72
! peak number h 1051 F1= 0.859 F2= 8.231 null null d= 3.8
assi (( resid 51 and name HN) or ( resid 50 and name HN))
(( resid 50 and name HG1*))
3.8 0.94 0.94
! peak number h 389 F1= 0.669 F2= 8.232 null null d= 2.2
assi (( resid 51 and name HN) or ( resid 50 and name HN))
(( resid 50 and name HG2*) or ( resid 50 and name HB))
2.2 0.55 0.55
! peak number d 534 F1= 2.139 F2= 3.988 null null d= 2.6
assi (( resid 52 and name HA))
(( resid 52 and name HB*))
2.6 0.80 0.80
! peak number d 449 F1= 3.988 F2= 2.523 null null d= 3.1
assi (( resid 52 and name HA))
(( resid 52 and name HG2))
3.1 0.79 0.79
! peak number d 452 F1= 3.991 F2= 2.338 null null d= 3.2
assi (( resid 52 and name HA))
(( resid 52 and name HG3))
3.2 0.80 0.80
! peak number d 423 F1= 3.988 F2= 1.790 null null d= 2.7
assi (( resid 52 and name HA))
(( resid 55 and name HB*))
2.7 0.69 0.69
! peak number d 1304 F1= 1.532 F2= 4.015 null null d= 3.4
assi (( resid 52 and name HA) or ( resid 21 and name HB3))
(( resid 55 and name HD*) or ( resid 36 and name HG))
3.4 0.85 0.85
! peak number d 461 F1= 3.972 F2= 2.155 null null d= 2.1
assi (( resid 52 and name HA) or ( resid 34 and name HD2))
(( resid 52 and name HB*) or ( resid 34 and name HG*))
2.1 0.53 0.53
! peak number h 442 F1= 7.668 F2= 3.783 null null d= 3.2
assi (( resid 52 and name HN))
(( resid 51 and name HA1))
3.2 0.80 0.80
! peak number h 133 F1= 7.669 F2= 3.980 null null d= 3.2
assi (( resid 52 and name HN))
(( resid 52 and name HA))
3.2 0.81 0.81
! peak number h 376 F1= 2.146 F2= 7.668 null null d= 2.5
assi (( resid 52 and name HN))
(( resid 52 and name HB*))
2.5 0.61 0.61
! peak number h 935 F1= 2.336 F2= 7.693 null null d= 3.4
assi (( resid 52 and name HN) or ( resid 11 and name HN))
(( resid 52 and name HG3) or ( resid 10 and name HB*))
3.4 0.85 0.85
! peak number d 1206 F1= 2.720 F2= 3.194 null null d= 2.6
assi (( resid 53 and name HB2))
(( resid 23 and name HB3))
2.6 0.65 0.65
! peak number d 823 F1= 3.179 F2= 2.597 null null d= 2.4
assi (( resid 53 and name HB2))
(( resid 32 and name HB3))
2.4 0.60 0.60
! peak number d 585 F1= 2.587 F2= 3.195 null null d= 2.5
assi (( resid 53 and name HB2))
(( resid 47 and name HB3) or ( resid 32 and name HB3))
2.5 0.62 0.62
! peak number d 1341 F1= 0.871 F2= 3.190 null null d= 3.6
assi (( resid 53 and name HB2) or ( resid 25 and name HB3))
(( resid 6 and name HB3) or ( resid 50 and name HG1*))
3.6 0.90 0.90
! peak number d 582 F1= 2.191 F2= 3.016 null null d= 2.5
assi (( resid 53 and name HB3))
(( resid 53 and name HA))
2.5 0.62 0.62
! peak number h 697 F1= 6.878 F2= 3.333 null null d= 3.6
assi (( resid 53 and name HN))
(( resid 47 and name HB2))
3.6 0.90 0.90
! peak number h 819 F1= 6.876 F2= 2.569 null null d= 4.0
assi (( resid 53 and name HN))
(( resid 47 and name HB3) or ( resid 32 and name HB3))
4.0 1.00 1.00
! peak number h 174 F1= 6.871 F2= 3.080 null null d= 3.5
assi (( resid 53 and name HN))
(( resid 50 and name HA))
3.5 0.86 0.86
! peak number h 812 F1= 6.879 F2= 3.990 null null d= 4.3
assi (( resid 53 and name HN))
(( resid 52 and name HA))
4.3 1.07 1.07
! peak number h 167 F1= 6.874 F2= 2.159 null null d= 2.7
assi (( resid 53 and name HN))
(( resid 52 and name HB*))
2.7 0.68 0.68
! peak number h 173 F1= 6.876 F2= 3.175 null null d= 2.7
assi (( resid 53 and name HN))
(( resid 53 and name HB2))
2.7 0.69 0.69
! peak number h 176 F1= 6.875 F2= 2.989 null null d= 2.9
assi (( resid 53 and name HN))
(( resid 53 and name HB3))
2.9 0.71 0.71
! peak number h 373 F1= 2.173 F2= 6.886 null null d= 2.7
assi (( resid 53 and name HN) or ( resid 2 and name HE22))
(( resid 53 and name HA) or ( resid 52 and name HB*) or ( resid 2 and name HG*))
2.7 0.68 0.68
! peak number d 609 F1= 1.989 F2= 3.578 null null d= 2.9
assi (( resid 54 and name HA))
(( resid 58 and name HB*))
2.9 0.72 0.72
! peak number d 479 F1= 3.565 F2= 0.996 null null d= 3.0
assi (( resid 54 and name HA))
(( resid 58 and name HD2*))
3.0 0.74 0.74
! peak number d 613 F1= 1.432 F2= 3.575 null null d= 3.3
assi (( resid 54 and name HA))
(( resid 58 and name HG))
3.3 0.82 0.82
! peak number d 612 F1= 1.508 F2= 3.570 null null d= 2.8
assi (( resid 54 and name HA))
(( resid 60 and name HD*))
2.8 0.70 0.70
! peak number d 874 F1= 1.680 F2= 2.985 null null d= 2.6
assi (( resid 54 and name HD3))
(( resid 54 and name HB*))
2.6 0.65 0.65
! peak number d 626 F1= 1.505 F2= 2.991 null null d= 2.5
assi (( resid 54 and name HD3))
(( resid 54 and name HG*))
2.5 0.62 0.62
! peak number h 490 F1= 7.342 F2= 3.083 null null d= 4.2
assi (( resid 54 and name HE))
(( resid 54 and name HD2))
4.2 1.30 1.30
! peak number h 120 F1= 7.343 F2= 2.994 null null d= 3.2
assi (( resid 54 and name HE))
(( resid 54 and name HD3) or ( resid 53 and name HB3))
3.2 0.79 0.79
! peak number h 601 F1= 7.341 F2= 1.479 null null d= 3.6
assi (( resid 54 and name HE))
(( resid 60 and name HD*) or ( resid 54 and name HG*))
3.6 0.91 0.91
! peak number h 595 F1= 7.324 F2= 3.549 null null d= 3.7
assi (( resid 54 and name HE) or ( resid 35 and name HE*))
(( resid 54 and name HA) or ( resid 22 and name HB2))
3.7 0.93 0.93
! peak number h 694 F1= 7.339 F2= 1.812 null null d= 3.6
assi (( resid 54 and name HE) or ( resid 35 and name HE*))
(( resid 55 and name HB*) or ( resid 12 and name HB2))
3.6 0.90 0.90
! peak number h 124 F1= 7.322 F2= 2.843 null null d= 2.6
assi (( resid 54 and name HE) or ( resid 35 and name HE*))
(( resid 60 and name HE3) or ( resid 24 and name HB*))
2.6 0.65 0.65
! peak number h 367 F1= 2.832 F2= 7.322 null null d= 2.6
assi (( resid 54 and name HE) or ( resid 35 and name HE*))
(( resid 60 and name HE3) or ( resid 37 and name HB2) or ( resid 24 and name HB*))
2.6 0.65 0.65
! peak number h 653 F1= 8.473 F2= 2.190 null null d= 3.8
assi (( resid 54 and name HN))
(( resid 53 and name HA))
3.8 0.95 0.95
! peak number h 343 F1= 3.174 F2= 8.468 null null d= 2.7
assi (( resid 54 and name HN))
(( resid 53 and name HB2))
2.7 0.66 0.66
! peak number h 217 F1= 8.474 F2= 6.873 null null d= 3.0
assi (( resid 54 and name HN))
(( resid 53 and name HN))
3.0 0.74 0.74
! peak number h 381 F1= 1.691 F2= 8.471 null null d= 2.7
assi (( resid 54 and name HN))
(( resid 54 and name HB*))
2.7 0.68 0.68
! peak number h 639 F1= 8.472 F2= 3.076 null null d= 3.7
assi (( resid 54 and name HN))
(( resid 54 and name HD2) or ( resid 50 and name HA))
3.7 0.93 0.93
! peak number h 638 F1= 8.482 F2= 3.002 null null d= 3.1
assi (( resid 54 and name HN))
(( resid 54 and name HD3) or ( resid 53 and name HB3))
3.1 0.78 0.78
! peak number h 224 F1= 8.081 F2= 8.471 null null d= 2.6
assi (( resid 54 and name HN))
(( resid 55 and name HN))
2.6 0.65 0.65
! peak number h 325 F1= 3.568 F2= 8.482 null null d= 2.7
assi (( resid 54 and name HN) or ( resid 22 and name HN))
(( resid 54 and name HA) or ( resid 22 and name HB2))
2.7 0.68 0.68
! peak number h 453 F1= 8.478 F2= 1.497 null null d= 2.9
assi (( resid 54 and name HN) or ( resid 22 and name HN))
(( resid 54 and name HG*) or ( resid 36 and name HG))
2.9 0.72 0.72
! peak number h 749 F1= 2.208 F2= 8.454 null null d= 3.3
assi (( resid 54 and name HN) or ( resid 43 and name HD22))
(( resid 9 and name HB*) or ( resid 53 and name HA))
3.3 0.82 0.82
! peak number d 427 F1= 3.883 F2= 1.780 null null d= 2.4
assi (( resid 55 and name HA))
(( resid 55 and name HB*))
2.4 0.60 0.60
! peak number d 1011 F1= 3.878 F2= 3.028 null null d= 3.4
assi (( resid 55 and name HA))
(( resid 59 and name HA1))
3.4 0.85 0.85
! peak number d 422 F1= 3.880 F2= 1.321 null null d= 3.2
assi (( resid 55 and name HA))
(( resid 60 and name HB3) or ( resid 55 and name HG*))
3.2 0.79 0.79
! peak number d 1005 F1= 1.980 F2= 3.876 null null d= 3.7
assi (( resid 55 and name HA) or ( resid 34 and name HD3))
(( resid 58 and name HB*) or ( resid 34 and name HB2))
3.7 0.93 0.93
! peak number d 1007 F1= 1.543 F2= 2.892 null null d= 2.5
assi (( resid 55 and name HE*) or ( resid 26 and name HE3))
(( resid 55 and name HD*) or ( resid 26 and name HD*))
2.5 0.64 0.64
! peak number h 481 F1= 8.078 F2= 3.983 null null d= 3.5
assi (( resid 55 and name HN))
(( resid 52 and name HA))
3.5 0.88 0.88
! peak number h 655 F1= 8.079 F2= 3.574 null null d= 3.8
assi (( resid 55 and name HN))
(( resid 54 and name HA))
3.8 0.95 0.95
! peak number h 774 F1= 7.344 F2= 8.070 null null d= 3.9
assi (( resid 55 and name HN))
(( resid 54 and name HE))
3.9 0.97 0.97
! peak number h 380 F1= 1.788 F2= 8.076 null null d= 2.3
assi (( resid 55 and name HN))
(( resid 55 and name HB*))
2.3 0.59 0.59
! peak number h 64 F1= 8.073 F2= 1.681 null null d= 3.1
assi (( resid 55 and name HN))
(( resid 60 and name HB2) or ( resid 54 and name HB*))
3.1 0.79 0.79
! peak number h 841 F1= 8.079 F2= 1.314 null null d= 3.8
assi (( resid 55 and name HN))
(( resid 60 and name HB3) or ( resid 55 and name HG*))
3.8 0.95 0.95
! peak number h 318 F1= 3.884 F2= 8.078 null null d= 3.0
assi (( resid 55 and name HN) or ( resid 28 and name HN))
(( resid 55 and name HA) or ( resid 27 and name HB3))
3.0 0.75 0.75
! peak number h 842 F1= 8.105 F2= 1.548 null null d= 4.3
assi (( resid 55 and name HN) or ( resid 28 and name HN))
(( resid 55 and name HD*) or ( resid 26 and name HD*))
4.3 1.80 1.80
! peak number d 872 F1= 1.996 F2= 4.152 null null d= 3.6
assi (( resid 56 and name HA))
(( resid 56 and name HD2))
3.6 0.90 0.90
! peak number d 393 F1= 4.147 F2= 2.052 null null d= 2.4
assi (( resid 56 and name HA))
(( resid 56 and name HG2))
2.4 0.60 0.60
! peak number d 395 F1= 4.150 F2= 1.571 null null d= 2.6
assi (( resid 56 and name HA))
(( resid 56 and name HG3))
2.6 0.65 0.65
! peak number d 1378 F1= 2.515 F2= 3.108 null null d= 2.9
assi (( resid 56 and name HE*))
(( resid 52 and name HG2))
2.9 0.72 0.72
! peak number d 1370 F1= 3.093 F2= 2.340 null null d= 3.4
assi (( resid 56 and name HE*))
(( resid 52 and name HG3))
3.4 0.85 0.85
! peak number d 605 F1= 2.006 F2= 3.098 null null d= 3.0
assi (( resid 56 and name HE*))
(( resid 56 and name HD2))
3.0 0.75 0.75
! peak number d 624 F1= 1.772 F2= 3.098 null null d= 2.2
assi (( resid 56 and name HE*))
(( resid 56 and name HD3))
2.2 0.55 0.55
! peak number h 1101 F1= 7.929 F2= 3.558 null null d= 3.7
assi (( resid 56 and name HN))
(( resid 54 and name HA))
3.7 0.93 0.93
! peak number h 654 F1= 7.948 F2= 3.877 null null d= 3.4
assi (( resid 56 and name HN) or ( resid 45 and name HD22))
(( resid 55 and name HA) or ( resid 11 and name HA))
3.4 0.85 0.85
! peak number h 418 F1= 7.962 F2= 6.930 null null d= 3.5
assi (( resid 45 and name HD22))
(( resid 24 and name HD*))
3.5 0.3 0.3
! peak number h 1098 F1= 2.537 F2= 7.967 null null d= 5.1
assi (( resid 56 and name HN) or ( resid 47 and name HE*))
(( resid 52 and name HG2))
5.1 1.27 1.27
! peak number h 52 F1= 7.938 F2= 1.742 null null d= 2.2
assi (( resid 56 and name HN) or ( resid 47 and name HE*))
(( resid 56 and name HD3) or ( resid 56 and name HB*))
2.2 0.55 0.55
! peak number d 856 F1= 4.099 F2= 4.937 null null d= 3.3
assi (( resid 57 and name HA))
(( resid 3 and name HA))
3.3 0.82 0.82
! peak number d 326 F1= 3.887 F2= 4.932 null null d= 2.7
assi (( resid 57 and name HA))
(( resid 4 and name HD2))
2.7 0.68 0.68
! peak number d 1061 F1= 4.931 F2= 3.691 null null d= 3.7
assi (( resid 57 and name HA))
(( resid 4 and name HD3))
3.7 0.93 0.93
! peak number d 1069 F1= 4.926 F2= 1.779 null null d= 3.3
assi (( resid 57 and name HA))
(( resid 56 and name HD3) or ( resid 3 and name HB3))
3.3 0.84 0.84
! peak number d 368 F1= 1.185 F2= 4.937 null null d= 2.7
assi (( resid 57 and name HA))
(( resid 57 and name HB3))
2.7 0.66 0.66
! peak number d 37 F1= 4.928 F2= 2.485 null null d= 3.2
assi (( resid 57 and name HA))
(( resid 6 and name HB2) or ( resid 3 and name HB2))
3.2 0.80 0.80
! peak number d 346 F1= 1.864 F2= 4.926 null null d= 2.5
assi (( resid 57 and name HA) or ( resid 34 and name HA))
(( resid 57 and name HB2) or ( resid 34 and name HB3))
2.5 0.62 0.62
! peak number h 378 F1= 1.864 F2= 7.926 null null d= 2.6
assi (( resid 57 and name HN))
(( resid 57 and name HB2))
2.6 0.65 0.65
! peak number h 657 F1= 7.924 F2= 1.186 null null d= 4.0
assi (( resid 57 and name HN))
(( resid 57 and name HB3))
4.0 1.10 1.10
! peak number h 608 F1= 7.924 F2= 7.648 null null d= 2.3
assi (( resid 57 and name HN))
(( resid 58 and name HN))
2.3 0.59 0.59
! peak number h 77 F1= 7.942 F2= 4.149 null null d= 2.9
assi (( resid 57 and name HN) or ( resid 56 and name HN))
(( resid 56 and name HA))
2.9 0.72 0.72
! peak number h 556 F1= 2.079 F2= 7.934 null null d= 3.2
assi (( resid 57 and name HN) or ( resid 56 and name HN))
(( resid 56 and name HG2))
3.2 0.80 0.80
! peak number h 625 F1= 6.984 F2= 7.926 null null d= 3.6
assi (( resid 57 and name HN) or ( resid 56 and name HN))
(( resid 59 and name HN))
3.6 0.90 0.90
! peak number h 459 F1= 7.937 F2= 2.073 null null d= 3.1
assi (( resid 57 and name HN) or ( resid 56 and name HN) or ( resid 47 and name HE*))
(( resid 56 and name HG2))
3.1 0.78 0.78
! peak number d 341 F1= 1.992 F2= 4.550 null null d= 3.2
assi (( resid 58 and name HA))
(( resid 58 and name HB*))
3.2 0.90 0.90
! peak number d 1083 F1= 4.541 F2= 1.213 null null d= 3.3
assi (( resid 58 and name HA) or ( resid 26 and name HA))
(( resid 57 and name HB3) or ( resid 33 and name HB3) or ( resid 30 and name HG3) or ( resid 29 and name HB*))
3.3 0.82 0.82
! peak number d 1389 F1= 4.551 F2= 3.561 null null d= 3.4
assi (( resid 58 and name HA) or ( resid 36 and name HA))
(( resid 54 and name HA) or ( resid 22 and name HB2))
3.4 0.85 0.85
! peak number d 380 F1= 4.526 F2= 0.956 null null d= 2.5
assi (( resid 58 and name HA) or ( resid 36 and name HA))
(( resid 58 and name HD1*) or ( resid 36 and name HB3))
2.5 0.62 0.62
! peak number d 405 F1= 4.544 F2= 1.419 null null d= 2.1
assi (( resid 58 and name HA) or ( resid 39 and name HA1))
(( resid 58 and name HG) or ( resid 17 and name HG3))
2.1 0.53 0.53
! peak number d 1084 F1= 4.541 F2= 1.292 null null d= 3.0
assi (( resid 58 and name HA) or ( resid 39 and name HA1) or ( resid 26 and name HA))
(( resid 33 and name HG) or ( resid 30 and name HG2) or ( resid 18 and name HG2) or ( resid 17 and name HG2))
3.0 0.75 0.75
! peak number d 1191 F1= 1.279 F2= 4.567 null null d= 3.1
assi (( resid 58 and name HA) or ( resid 48 and name HA) or ( resid 26 and name HA))
(( resid 49 and name HG2*) or ( resid 33 and name HG) or ( resid 30 and name HG2))
3.1 0.78 0.78
! peak number d 714 F1= 0.984 F2= 2.006 null null d= 2.5
assi (( resid 58 and name HB*))
(( resid 58 and name HD2*) or ( resid 58 and name HD1*))
2.5 0.62 0.62
! peak number d 895 F1= 0.988 F2= 1.446 null null d= 2.1
assi (( resid 58 and name HG))
(( resid 58 and name HD2*) or ( resid 58 and name HD1*))
2.1 0.53 0.53
! peak number h 863 F1= 7.660 F2= 1.851 null null d= 4.1
assi (( resid 58 and name HN))
(( resid 57 and name HB2))
4.1 1.02 1.02
! peak number h 377 F1= 1.999 F2= 7.650 null null d= 2.7
assi (( resid 58 and name HN))
(( resid 58 and name HB*))
2.7 0.69 0.69
! peak number h 470 F1= 7.652 F2= 1.437 null null d= 3.0
assi (( resid 58 and name HN))
(( resid 58 and name HG))
3.0 0.75 0.75
! peak number h 240 F1= 7.658 F2= 6.984 null null d= 2.3
assi (( resid 58 and name HN))
(( resid 59 and name HN))
2.3 0.56 0.56
! peak number h 483 F1= 7.657 F2= 3.583 null null d= 3.3
assi (( resid 58 and name HN) or ( resid 52 and name HN))
(( resid 54 and name HA) or ( resid 51 and name HA2))
3.3 0.82 0.82
! peak number d 578 F1= 2.465 F2= 3.025 null null d= 1.9
assi (( resid 59 and name HA1))
(( resid 59 and name HA2))
1.9 0.47 0.47
! peak number h 962 F1= 3.877 F2= 6.991 null null d= 3.6
assi (( resid 59 and name HN))
(( resid 55 and name HA))
3.6 0.90 0.90
! peak number h 175 F1= 6.983 F2= 3.031 null null d= 2.6
assi (( resid 59 and name HN))
(( resid 59 and name HA1))
2.6 0.65 0.65
! peak number h 154 F1= 7.012 F2= 1.058 null null d= 2.6
assi (( resid 59 and name HN))
(( resid 60 and name HG*))
2.6 0.65 0.65
! peak number h 172 F1= 7.009 F2= 3.233 null null d= 2.6
assi (( resid 59 and name HN) or ( resid 25 and name HE1))
(( resid 30 and name HA) or ( resid 1 and name HB3))
2.6 0.65 0.65
! peak number h 602 F1= 7.011 F2= 1.185 null null d= 3.3
assi (( resid 59 and name HN) or ( resid 25 and name HE1))
(( resid 57 and name HB3) or ( resid 30 and name HG3))
3.3 0.82 0.82
! peak number h 480 F1= 6.989 F2= 2.008 null null d= 3.3
assi (( resid 59 and name HN) or ( resid 27 and name HZ3))
(( resid 58 and name HB*) or ( resid 3 and name HG3))
3.3 0.84 0.84
! peak number h 165 F1= 6.984 F2= 2.493 null null d= 3.0
assi (( resid 59 and name HN) or ( resid 27 and name HZ3))
(( resid 59 and name HA2) or ( resid 3 and name HB2))
3.0 0.74 0.74
! peak number h 821 F1= 6.988 F2= 2.893 null null d= 3.5
assi (( resid 59 and name HN) or ( resid 37 and name HD*) or ( resid 27 and name HZ3))
(( resid 7 and name HB3) or ( resid 60 and name HE2) or ( resid 20 and name HB3))
3.5 0.88 0.88
! peak number d 1180 F1= 1.016 F2= 3.642 null null d= 4.4
assi (( resid 6 and name HA))
(( resid 44 and name HB*))
4.4 1.10 1.10
! peak number d 521 F1= 2.475 F2= 3.641 null null d= 2.5
assi (( resid 6 and name HA))
(( resid 6 and name HB2))
2.5 0.62 0.62
! peak number d 481 F1= 3.631 F2= 0.876 null null d= 2.4
assi (( resid 6 and name HA))
(( resid 6 and name HB3))
2.4 0.60 0.60
! peak number d 686 F1= 0.864 F2= 2.478 null null d= 1.9
assi (( resid 6 and name HB2))
(( resid 6 and name HB3))
1.9 0.47 0.47
! peak number d 1155 F1= 0.729 F2= 6.198 null null d= 3.5
assi (( resid 6 and name HD*))
(( resid 4 and name HB2))
3.5 0.88 0.88
! peak number d 1416 F1= 6.183 F2= 1.932 null null d= 4.3
assi (( resid 6 and name HD*))
(( resid 4 and name HB3))
4.3 1.09 1.09
! peak number d 273 F1= 2.480 F2= 6.195 null null d= 2.9
assi (( resid 6 and name HD*))
(( resid 6 and name HB2))
2.9 0.79 0.79
! peak number d 318 F1= 0.865 F2= 6.193 null null d= 2.5
assi (( resid 6 and name HD*))
(( resid 6 and name HB3))
2.5 0.63 0.63
! peak number h 200 F1= 6.196 F2= 5.230 null null d= 3.4
assi (( resid 6 and name HD*))
(( resid 6 and name HN))
3.4 0.85 0.85
! peak number d 1049 F1= 6.779 F2= 1.031 null null d= 4.8
assi (( resid 6 and name HE*))
(( resid 44 and name HB*))
4.8 1.50 1.50
! peak number h 1072 F1= 1.730 F2= 6.779 null null d= 4.8
assi (( resid 6 and name HE*))
(( resid 56 and name HB*))
4.8 1.20 1.20
! peak number d 747 F1= 6.781 F2= 1.755 null null d= 3.5
assi (( resid 6 and name HE*))
(( resid 56 and name HD3))
3.5 0.87 0.87
! peak number d 292 F1= 2.072 F2= 6.791 null null d= 3.1
assi (( resid 6 and name HE*))
(( resid 56 and name HG2))
3.1 0.76 0.76
! peak number d 72 F1= 6.783 F2= 1.592 null null d= 3.8
assi (( resid 6 and name HE*))
(( resid 56 and name HG3) or ( resid 4 and name HG3))
3.8 0.94 0.94
! peak number d 1041 F1= 6.780 F2= 2.491 null null d= 4.1
assi (( resid 6 and name HE*))
(( resid 6 and name HB2))
4.1 1.02 1.02
! peak number d 187 F1= 6.783 F2= 6.199 null null d= 2.3
assi (( resid 6 and name HE*))
(( resid 6 and name HD*))
2.3 0.57 0.57
! peak number d 1037 F1= 6.785 F2= 3.881 null null d= 4.6
assi (( resid 6 and name HE*) or ( resid 23 and name HD*))
(( resid 4 and name HD2) or ( resid 34 and name HD3) or ( resid 21 and name HB2))
4.6 1.15 1.15
! peak number d 804 F1= 0.873 F2= 6.798 null null d= 3.4
assi (( resid 6 and name HE*) or ( resid 23 and name HD*))
(( resid 6 and name HB3) or ( resid 50 and name HG1*))
3.4 0.84 0.84
! peak number h 887 F1= 0.723 F2= 5.228 null null d= 3.6
assi (( resid 6 and name HN))
(( resid 4 and name HB2))
3.6 0.90 0.90
! peak number h 586 F1= 0.876 F2= 5.225 null null d= 3.3
assi (( resid 6 and name HN))
(( resid 6 and name HB3))
3.3 0.82 0.82
! peak number d 424 F1= 4.008 F2= 1.681 null null d= 3.0
assi (( resid 60 and name HA))
(( resid 60 and name HB2))
3.0 0.76 0.76
! peak number d 421 F1= 4.006 F2= 1.310 null null d= 3.4
assi (( resid 60 and name HA))
(( resid 60 and name HB3))
3.4 0.85 0.85
! peak number d 1305 F1= 1.491 F2= 4.017 null null d= 4.2
assi (( resid 60 and name HA))
(( resid 60 and name HD*))
4.2 1.05 1.05
! peak number d 1003 F1= 4.008 F2= 1.092 null null d= 3.7
assi (( resid 60 and name HA))
(( resid 60 and name HG*))
3.7 0.93 0.93
! peak number d 1361 F1= 1.461 F2= 2.831 null null d= 3.4
assi (( resid 60 and name HE3))
(( resid 54 and name HG*))
3.4 0.85 0.85
! peak number h 192 F1= 6.922 F2= 3.881 null null d= 2.9
assi (( resid 60 and name HN))
(( resid 55 and name HA))
2.9 0.72 0.72
! peak number h 933 F1= 1.987 F2= 6.913 null null d= 3.5
assi (( resid 60 and name HN))
(( resid 58 and name HB*))
3.5 0.88 0.88
! peak number h 495 F1= 6.918 F2= 3.023 null null d= 3.3
assi (( resid 60 and name HN))
(( resid 59 and name HA1))
3.3 0.82 0.82
! peak number h 500 F1= 6.915 F2= 4.012 null null d= 3.7
assi (( resid 60 and name HN))
(( resid 60 and name HA))
3.7 0.93 0.93
! peak number h 852 F1= 6.922 F2= 1.078 null null d= 3.3
assi (( resid 60 and name HN))
(( resid 60 and name HG*))
3.3 0.82 0.82
! peak number h 859 F1= 6.918 F2= 1.996 null null d= 3.5
assi (( resid 60 and name HN) or ( resid 1 and name HH2))
(( resid 58 and name HB*) or ( resid 3 and name HG3))
3.5 0.88 0.88
! peak number h 977 F1= 2.898 F2= 6.939 null null d= 3.8
assi (( resid 60 and name HN) or ( resid 1 and name HH2))
(( resid 7 and name HB3) or ( resid 60 and name HE2))
3.8 0.95 0.95
! peak number h 478 F1= 6.920 F2= 2.483 null null d= 3.0
assi (( resid 60 and name HN) or ( resid 1 and name HZ3) or ( resid 1 and name HH2))
(( resid 59 and name HA2) or ( resid 30 and name HE3) or ( resid 3 and name HB2))
3.0 0.75 0.75
! peak number h 181 F1= 6.937 F2= 2.838 null null d= 2.3
assi (( resid 60 and name HN) or ( resid 24 and name HD*))
(( resid 60 and name HE3) or ( resid 24 and name HB*))
2.3 0.57 0.57
! peak number h 145 F1= 6.945 F2= 1.317 null null d= 2.7
assi (( resid 60 and name HN) or ( resid 35 and name HZ))
(( resid 60 and name HB3) or ( resid 46 and name HB3))
2.7 0.68 0.68
! peak number d 1076 F1= 4.499 F2= 3.190 null null d= 3.2
assi (( resid 7 and name HA))
(( resid 25 and name HB3))
3.2 0.80 0.80
! peak number d 439 F1= 4.498 F2= 3.302 null null d= 2.7
assi (( resid 7 and name HA))
(( resid 7 and name HB2))
2.7 0.67 0.67
! peak number d 434 F1= 4.499 F2= 2.901 null null d= 2.7
assi (( resid 7 and name HA))
(( resid 7 and name HB3))
2.7 0.69 0.69
! peak number d 987 F1= 1.184 F2= 3.313 null null d= 3.5
assi (( resid 7 and name HB2))
(( resid 57 and name HB3))
3.5 0.88 0.88
! peak number d 1373 F1= 2.890 F2= 2.476 null null d= 2.7
assi (( resid 7 and name HB3))
(( resid 3 and name HB2))
2.7 0.68 0.68
! peak number d 621 F1= 1.786 F2= 2.886 null null d= 2.7
assi (( resid 7 and name HB3) or ( resid 55 and name HE*) or ( resid 26 and name HE3))
(( resid 55 and name HB*) or ( resid 3 and name HB3) or ( resid 26 and name HB*))
2.7 0.68 0.68
! peak number d 1344 F1= 2.882 F2= 1.423 null null d= 4.3
assi (( resid 7 and name HB3) or ( resid 60 and name HE2) or ( resid 20 and name HB3))
(( resid 58 and name HG) or ( resid 18 and name HG3))
4.3 1.07 1.07
! peak number h 810 F1= 7.259 F2= 3.882 null null d= 3.8
assi (( resid 7 and name HN))
(( resid 4 and name HD2))
3.8 0.95 0.95
! peak number h 509 F1= 7.266 F2= 6.196 null null d= 3.6
assi (( resid 7 and name HN))
(( resid 6 and name HD*))
3.6 0.90 0.90
! peak number h 683 F1= 7.263 F2= 5.228 null null d= 2.9
assi (( resid 7 and name HN))
(( resid 6 and name HN))
2.9 0.72 0.72
! peak number h 486 F1= 7.260 F2= 3.294 null null d= 3.7
assi (( resid 7 and name HN))
(( resid 7 and name HB2))
3.7 0.91 0.91
! peak number h 121 F1= 7.262 F2= 2.894 null null d= 2.7
assi (( resid 7 and name HN))
(( resid 7 and name HB3))
2.7 0.68 0.68
! peak number h 832 F1= 7.260 F2= 4.930 null null d= 2.8
assi (( resid 7 and name HN) or ( resid 1 and name HD1))
(( resid 57 and name HA))
2.8 0.70 0.70
! peak number h 773 F1= 6.195 F2= 7.260 null null d= 3.8
assi (( resid 7 and name HN) or ( resid 1 and name HD1))
(( resid 6 and name HD*))
3.8 0.95 0.95
! peak number h 497 F1= 7.239 F2= 3.660 null null d= 3.2
assi (( resid 7 and name HN) or ( resid 5 and name HZ3))
(( resid 6 and name HA))
3.2 0.80 0.80
! peak number d 1427 F1= 3.872 F2= 4.190 null null d= 2.5
assi (( resid 8 and name HA))
(( resid 27 and name HB3))
2.5 0.61 0.61
! peak number d 407 F1= 4.185 F2= 1.381 null null d= 2.6
assi (( resid 8 and name HA))
(( resid 8 and name HB2))
2.6 0.65 0.65
! peak number d 878 F1= 1.207 F2= 4.191 null null d= 3.1
assi (( resid 8 and name HA))
(( resid 8 and name HB3))
3.1 0.78 0.78
! peak number d 1093 F1= 4.183 F2= 1.009 null null d= 4.2
assi (( resid 8 and name HA))
(( resid 8 and name HD*))
4.2 1.05 1.05
! peak number d 1171 F1= 0.481 F2= 4.203 null null d= 3.6
assi (( resid 8 and name HA))
(( resid 8 and name HG2))
3.6 0.90 0.90
! peak number d 370 F1= 0.026 F2= 4.193 null null d= 2.9
assi (( resid 8 and name HA))
(( resid 8 and name HG3))
2.9 0.72 0.72
! peak number d 972 F1= 0.476 F2= 1.367 null null d= 3.6
assi (( resid 8 and name HB2))
(( resid 8 and name HG2))
3.6 0.90 0.90
! peak number d 705 F1= 0.022 F2= 1.383 null null d= 2.9
assi (( resid 8 and name HB2))
(( resid 8 and name HG3))
2.9 0.72 0.72
! peak number d 848 F1= 1.196 F2= 0.483 null null d= 2.9
assi (( resid 8 and name HB3))
(( resid 8 and name HG2))
2.9 0.72 0.72
! peak number d 976 F1= 0.027 F2= 1.204 null null d= 3.8
assi (( resid 8 and name HB3))
(( resid 8 and name HG3))
3.8 0.94 0.94
! peak number d 677 F1= 1.192 F2= 2.894 null null d= 3.1
assi (( resid 8 and name HB3) or ( resid 7 and name HB3) or ( resid 26 and name HE3))
(( resid 8 and name HB3) or ( resid 57 and name HB3) or ( resid 29 and name HB*))
3.1 0.78 0.78
! peak number d 706 F1= 0.480 F2= 0.986 null null d= 2.7
assi (( resid 8 and name HD*))
(( resid 8 and name HG2))
2.7 0.68 0.68
! peak number d 703 F1= 0.987 F2= 0.036 null null d= 3.4
assi (( resid 8 and name HD*))
(( resid 8 and name HG3))
3.4 1.00 1.00
! peak number d 1213 F1= 1.193 F2= 2.197 null null d= 3.4
assi (( resid 8 and name HE*))
(( resid 8 and name HB3))
3.4 0.85 0.85
! peak number d 829 F1= 2.200 F2= 0.483 null null d= 3.3
assi (( resid 8 and name HE*))
(( resid 8 and name HG2))
3.3 0.84 0.84
! peak number d 1135 F1= 2.198 F2= 0.038 null null d= 3.5
assi (( resid 8 and name HE*))
(( resid 8 and name HG3))
3.5 0.88 0.88
! peak number d 699 F1= 0.471 F2= 0.043 null null d= 2.1
assi (( resid 8 and name HG2))
(( resid 8 and name HG3))
2.1 0.53 0.53
! peak number h 1087 F1= 3.637 F2= 7.060 null null d= 4.8
assi (( resid 8 and name HN))
(( resid 6 and name HA))
4.8 1.19 1.19
! peak number h 672 F1= 7.067 F2= 4.193 null null d= 4.0
assi (( resid 8 and name HN))
(( resid 8 and name HA))
4.0 1.00 1.00
! peak number h 892 F1= 1.381 F2= 7.071 null null d= 3.7
assi (( resid 8 and name HN))
(( resid 8 and name HB2))
3.7 0.93 0.93
! peak number h 158 F1= 7.066 F2= 0.483 null null d= 3.3
assi (( resid 8 and name HN))
(( resid 8 and name HG2))
3.3 0.82 0.82
! peak number h 150 F1= 7.060 F2= 1.194 null null d= 2.7
assi (( resid 8 and name HN) or ( resid 25 and name HE2))
(( resid 8 and name HB3) or ( resid 57 and name HB3))
2.7 0.68 0.68
! peak number h 395 F1= 0.983 F2= 7.078 null null d= 3.3
assi (( resid 8 and name HN) or ( resid 25 and name HE2))
(( resid 8 and name HD*) or ( resid 58 and name HD2*) or ( resid 58 and name HD1*))
3.3 0.82 0.82
! peak number h 179 F1= 7.093 F2= 2.896 null null d= 3.2
assi (( resid 8 and name HN) or ( resid 25 and name HE2) or ( resid 20 and name HD*))
(( resid 7 and name HB3) or ( resid 20 and name HB3))
3.2 0.81 0.81
! peak number d 488 F1= 3.812 F2= 4.487 null null d= 2.1
assi (( resid 9 and name HA))
(( resid 10 and name HD2))
2.1 0.53 0.53
! peak number d 440 F1= 4.480 F2= 3.683 null null d= 2.5
assi (( resid 9 and name HA))
(( resid 10 and name HD3))
2.5 0.61 0.61
! peak number d 1071 F1= 4.481 F2= 2.127 null null d= 3.3
assi (( resid 9 and name HA))
(( resid 10 and name HG2))
3.3 0.82 0.82
! peak number d 1070 F1= 4.480 F2= 1.895 null null d= 4.7
assi (( resid 9 and name HA))
(( resid 10 and name HG3))
4.7 1.60 1.60
! peak number d 413 F1= 4.480 F2= 2.253 null null d= 2.4
assi (( resid 9 and name HA))
(( resid 9 and name HG2))
2.4 0.60 0.60
! peak number d 397 F1= 4.482 F2= 2.570 null null d= 2.7
assi (( resid 9 and name HA))
(( resid 9 and name HG3))
2.7 0.69 0.69
! peak number d 441 F1= 4.476 F2= 3.826 null null d= 2.0
assi (( resid 9 and name HA) or ( resid 38 and name HA))
(( resid 38 and name HB2) or ( resid 10 and name HD2))
2.0 0.50 0.50
! peak number h 671 F1= 7.225 F2= 4.488 null null d= 3.2
assi (( resid 9 and name HN))
(( resid 9 and name HA) or ( resid 7 and name HA))
3.2 0.80 0.80
! peak number h 162 F1= 7.232 F2= 2.210 null null d= 2.4
assi (( resid 9 and name HN))
(( resid 9 and name HB*))
2.4 0.60 0.60
! peak number h 815 F1= 7.230 F2= 2.888 null null d= 5.1
assi (( resid 9 and name HN) or ( resid 5 and name HZ3))
(( resid 7 and name HB3) or ( resid 45 and name HB3))
5.1 1.27 1.27
! peak number h 670 F1= 7.263 F2= 4.507 null null d= 2.9
assi (( resid 9 and name HN) or ( resid 7 and name HN))
(( resid 9 and name HA) or ( resid 7 and name HA))
2.9 0.72 0.72
! peak number h 183 F1= 6.562 F2= 1.580 null null d= 2.7 TROP
! peak number d 785 F1= 4.654 F2= 6.197 null null d= 3.4
assi (( resid 6 and name HD*))
(( resid 45 and name HA))
3.4 0.85 0.85
! peak number d 776 F1= 6.184 F2= 3.638 null null d= 4.3
assi (( resid 6 and name HD*))
(( resid 6 and name HA))
4.3 1.06 1.06
! peak number d 67 F1= 6.781 F2= 1.933 null null d= 3.0
assi (( resid 6 and name HE*))
(( resid 4 and name HB3))
3.0 0.74 0.74
! peak number d 768 F1= 6.177 F2= 4.506 null null d= 3.8
assi (( resid 6 and name HD*))
(( resid 7 and name HA))
3.8 0.94 0.94
! peak number h 529 F1= 3.646 F2= 7.227 null null d= 3.3
assi (( resid 9 and name HN))
(( resid 6 and name HA))
3.3 0.82 0.82