NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
12324 |
1ssf   |
5878 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! peak number c 3245 F1= 4.717 F2= 1.993 null null d= 3.1
assi (( resid 100 and name HA
))
(( resid 100 and name HB1
))
3.1 1.20 1.20
! peak number c 3244 F1= 4.714 F2= 2.134 null null d= 3.3
assi (( resid 100 and name HA
))
(( resid 100 and name HB2
))
3.3 1.36 1.36
! peak number c 3251 F1= 4.710 F2= 2.364 null null d= 3.5
assi (( resid 100 and name HA
))
(( resid 100 and name HG1
))
3.5 1.58 1.58
! peak number c 3252 F1= 4.707 F2= 2.288 null null d= 3.5
assi (( resid 100 and name HA
))
(( resid 100 and name HG2
))
3.5 1.49 1.49
! peak number n 740 F1= 4.735 F2= 7.835 null null d= 2.6
assi (( resid 100 and name HA
))
(( resid 100 and name HN
))
2.6 0.65 0.65
! peak number c 3806 F1= 4.710 F2= 1.364 null null d= 4.4
assi (( resid 100 and name HA
))
(( resid 101 and name HB2
))
4.4 2.42 2.42
! peak number c 394 F1= 5.042 F2= 4.707 null null d= 4.7
assi (( resid 100 and name HA
))
(( resid 96 and name HA
))
4.7 1.18 1.18
! peak number n 69 F1= 4.753 F2= 8.889 null null d= 3.4
assi (( resid 100 and name HA
))
(( resid 97 and name HN
))
3.4 0.85 0.85
! peak number c 3247 F1= 2.020 F2= 2.134 null null d= 2.3
assi (( resid 100 and name HB1
))
(( resid 100 and name HB2
))
2.29 0.66 0.66
! peak number c 3246 F1= 2.333 F2= 1.994 null null d= 2.6
assi (( resid 100 and name HB1
))
(( resid 100 and name HG1
))
2.6 0.85 0.85
! peak number n 729 F1= 2.031 F2= 7.836 null null d= 2.6
assi (( resid 100 and name HB1
))
(( resid 100 and name HN
))
2.6 0.85 0.85
! peak number n 1105 F1= 2.033 F2= 8.727 null null d= 3.4
assi (( resid 100 and name HB1
))
(( resid 101 and name HN
))
3.4 1.44 1.44
! peak number c 3248 F1= 2.337 F2= 2.136 null null d= 2.7
assi (( resid 100 and name HB2
))
(( resid 100 and name HG1
))
2.7 0.91 0.91
! peak number n 730 F1= 2.176 F2= 7.836 null null d= 2.9
assi (( resid 100 and name HB2
))
(( resid 100 and name HN
))
2.9 1.05 1.05
! peak number n 1106 F1= 2.162 F2= 8.724 null null d= 3.5
assi (( resid 100 and name HB2
))
(( resid 101 and name HN
))
3.5 1.53 1.53
! peak number c 3877 F1= 8.679 F2= 2.126 null null d= 4.5
assi (( resid 100 and name HB2
))
(( resid 99 and name HN
))
4.5 2.53 2.53
! peak number n 1242 F1= 6.898 F2= 7.594 null null d= 2.0
assi (( resid 100 and name HE21
))
(( resid 100 and name HE22
))
2 0.50 0.50
! peak number c 3253 F1= 7.579 F2= 2.365 null null d= 4.0
assi (( resid 100 and name HE21
))
(( resid 100 and name HG1
))
4 2.00 2.00
! peak number c 3254 F1= 7.587 F2= 2.276 null null d= 4.2
assi (( resid 100 and name HE21
))
(( resid 100 and name HG2
))
4.2 2.20 2.20
! peak number n 1246 F1= 2.883 F2= 7.591 null null d= 3.6
assi (( resid 100 and name HE21
))
(( resid 97 and name HE*
))
3.6 1.62 1.62
! peak number c 2137 F1= 7.586 F2= 1.486 null null d= 3.2
assi (( resid 100 and name HE21
))
(( resid 97 and name HG2
))
3.2 1.28 1.28
! peak number n 1250 F1= 2.292 F2= 6.898 null null d= 4.0
assi (( resid 100 and name HE22
))
(( resid 100 and name HG1
))
4 2.00 2.00
! peak number n 1251 F1= 2.399 F2= 6.897 null null d= 4.1
assi (( resid 100 and name HE22
))
(( resid 100 and name HG2
))
4.09 2.10 2.10
! peak number n 1252 F1= 2.768 F2= 6.904 null null d= 4.2
assi (( resid 100 and name HE22
))
(( resid 101 and name HD*
))
4.2 2.21 2.21
! peak number n 731 F1= 2.304 F2= 7.836 null null d= 3.0
assi (( resid 100 and name HG1
))
(( resid 100 and name HN
))
3 1.12 1.12
! peak number c 3257 F1= 8.683 F2= 2.363 null null d= 3.8
assi (( resid 100 and name HG1
))
(( resid 99 and name HN
))
3.8 1.81 1.81
! peak number n 732 F1= 2.405 F2= 7.836 null null d= 3.2
assi (( resid 100 and name HG2
))
(( resid 100 and name HN
))
3.2 1.28 1.28
! peak number c 3258 F1= 8.695 F2= 2.275 null null d= 4.6
assi (( resid 100 and name HG2
))
(( resid 101 and name HN
))
4.59 2.59 2.59
! peak number n 735 F1= 5.079 F2= 7.835 null null d= 4.3
assi (( resid 100 and name HN
))
(( resid 96 and name HA
))
4.3 1.07 1.07
! peak number n 727 F1= 1.735 F2= 7.837 null null d= 3.8
assi (( resid 100 and name HN
))
(( resid 96 and name HG1
))
3.8 1.80 1.80
! peak number n 728 F1= 1.930 F2= 7.837 null null d= 3.5
assi (( resid 100 and name HN
))
(( resid 97 and name HB2
))
3.5 1.53 1.53
! peak number n 66 F1= 7.831 F2= 8.888 null null d= 3.1
assi (( resid 100 and name HN
))
(( resid 97 and name HN
))
3.1 0.77 0.77
! peak number n 733 F1= 3.613 F2= 7.835 null null d= 3.4
assi (( resid 100 and name HN
))
(( resid 99 and name HA1
))
3.4 0.85 0.85
! peak number n 734 F1= 4.135 F2= 7.837 null null d= 3.5
assi (( resid 100 and name HN
))
(( resid 99 and name HA2
))
3.5 0.88 0.88
! peak number n 270 F1= 7.828 F2= 8.707 null null d= 3.0
assi (( resid 100 and name HN
))
(( resid 99 and name HN
))
3 0.76 0.76
! peak number c 3262 F1= 5.183 F2= 1.256 null null d= 4.2
assi (( resid 101 and name HA
))
(( resid 101 and name HB1
))
4.2 2.15 2.15
! peak number c 3261 F1= 5.189 F2= 1.370 null null d= 3.9
assi (( resid 101 and name HA
))
(( resid 101 and name HB2
))
3.9 1.95 1.95
! peak number c 3275 F1= 5.174 F2= 2.778 null null d= 4.3
assi (( resid 101 and name HA
))
(( resid 101 and name HD*
))
4.3 2.37 2.37
! peak number c 3173 F1= 5.186 F2= 1.011 null null d= 4.2
assi (( resid 101 and name HA
))
(( resid 101 and name HG1
))
4.2 2.21 2.21
! peak number c 3271 F1= 5.176 F2= 1.491 null null d= 3.8
assi (( resid 101 and name HA
))
(( resid 101 and name HG2
))
3.8 1.76 1.76
! peak number n 1108 F1= 5.214 F2= 8.726 null null d= 3.8
assi (( resid 101 and name HA
))
(( resid 101 and name HN
))
3.8 0.95 0.95
! peak number c 398 F1= 1.652 F2= 5.201 null null d= 4.7
assi (( resid 101 and name HA
))
(( resid 102 and name HB*
))
4.7 2.76 2.76
! peak number n 1161 F1= 5.215 F2= 8.055 null null d= 2.8
assi (( resid 101 and name HA
))
(( resid 102 and name HN
))
2.8 0.70 0.70
! peak number c 3196 F1= 5.207 F2= 0.399 null null d= 4.3
assi (( resid 101 and name HA
))
(( resid 95 and name HD1*
))
4.3 2.31 2.31
! peak number c 224 F1= 5.190 F2= 5.060 null null d= 3.8
assi (( resid 101 and name HA
))
(( resid 96 and name HA
))
3.8 0.94 0.94
! peak number n 67 F1= 5.201 F2= 8.883 null null d= 3.3
assi (( resid 101 and name HA
))
(( resid 97 and name HN
))
3.3 0.82 0.82
! peak number c 3264 F1= 2.766 F2= 1.243 null null d= 3.6
assi (( resid 101 and name HB1
))
(( resid 101 and name HD*
))
3.6 1.62 1.62
! peak number c 3169 F1= 1.225 F2= 1.015 null null d= 3.6
assi (( resid 101 and name HB1
))
(( resid 101 and name HG1
))
3.6 1.67 1.67
! peak number c 3267 F1= 8.698 F2= 1.256 null null d= 4.0
assi (( resid 101 and name HB1
))
(( resid 101 and name HN
))
4 2.00 2.00
! peak number c 3266 F1= 8.050 F2= 1.252 null null d= 4.8
assi (( resid 101 and name HB1
))
(( resid 102 and name HN
))
4.8 2.88 2.88
! peak number c 220 F1= 1.295 F2= 5.074 null null d= 4.4
assi (( resid 101 and name HB1
))
(( resid 96 and name HA
))
4.4 2.42 2.42
! peak number c 3263 F1= 2.766 F2= 1.362 null null d= 3.9
assi (( resid 101 and name HB2
))
(( resid 101 and name HD*
))
3.9 1.90 1.90
! peak number c 3270 F1= 1.031 F2= 1.363 null null d= 4.1
assi (( resid 101 and name HB2
))
(( resid 101 and name HG1
))
4.09 2.10 2.10
! peak number c 3268 F1= 8.709 F2= 1.381 null null d= 4.5
assi (( resid 101 and name HB2
))
(( resid 101 and name HN
))
4.5 2.48 2.48
! peak number c 3265 F1= 8.025 F2= 1.383 null null d= 4.5
assi (( resid 101 and name HB2
))
(( resid 102 and name HN
))
4.5 2.53 2.53
! peak number c 1280 F1= 1.362 F2= 7.021 null null d= 5.2
assi (( resid 101 and name HB2
))
(( resid 103 and name HZ2
))
5.2 3.38 3.38
! peak number c 3172 F1= 2.799 F2= 1.006 null null d= 3.5
assi (( resid 101 and name HD*
))
(( resid 101 and name HG1
))
3.5 1.53 1.53
! peak number c 3274 F1= 1.506 F2= 2.786 null null d= 3.4
assi (( resid 101 and name HD*
))
(( resid 101 and name HG2
))
3.4 1.44 1.44
! peak number c 3861 F1= 1.918 F2= 2.784 null null d= 4.5
assi (( resid 101 and name HD*
))
(( resid 96 and name HB2
))
4.5 2.53 2.53
! peak number c 3170 F1= 1.492 F2= 1.013 null null d= 3.4
assi (( resid 101 and name HG1
))
(( resid 101 and name HG2
))
3.4 1.44 1.44
! peak number n 1110 F1= 1.039 F2= 8.735 null null d= 3.8
assi (( resid 101 and name HG1
))
(( resid 101 and name HN
))
3.8 1.80 1.80
! peak number n 1104 F1= 1.531 F2= 8.721 null null d= 3.9
assi (( resid 101 and name HG2
))
(( resid 101 and name HN
))
3.9 1.90 1.90
! peak number c 3281 F1= 4.402 F2= 1.651 null null d= 2.9
assi (( resid 102 and name HA
))
(( resid 102 and name HB*
))
2.9 1.05 1.05
! peak number c 2251 F1= 4.361 F2= 1.576 null null d= 3.9
assi (( resid 102 and name HA
))
(( resid 102 and name HD*
))
3.9 1.90 1.90
! peak number c 406 F1= 2.839 F2= 4.387 null null d= 4.6
assi (( resid 102 and name HA
))
(( resid 102 and name HE*
))
4.59 2.64 2.64
! peak number c 403 F1= 1.224 F2= 4.399 null null d= 3.5
assi (( resid 102 and name HA
))
(( resid 102 and name HG1
))
3.5 1.53 1.53
! peak number c 404 F1= 1.360 F2= 4.402 null null d= 3.8
assi (( resid 102 and name HA
))
(( resid 102 and name HG2
))
3.8 1.80 1.80
! peak number n 1159 F1= 4.423 F2= 8.053 null null d= 3.3
assi (( resid 102 and name HA
))
(( resid 102 and name HN
))
3.3 0.82 0.82
! peak number c 1275 F1= 4.384 F2= 7.321 null null d= 5.8 dist trop loin
! peak number n 964 F1= 4.419 F2= 8.449 null null d= 2.4
assi (( resid 102 and name HA
))
(( resid 103 and name HN
))
2.4 0.60 0.60
! peak number c 3277 F1= 2.854 F2= 1.657 null null d= 3.3
assi (( resid 102 and name HB*
))
(( resid 102 and name HE*
))
3.3 1.36 1.36
! peak number c 3276 F1= 1.225 F2= 1.658 null null d= 2.9
assi (( resid 102 and name HB*
))
(( resid 102 and name HG1
))
2.9 1.05 1.05
! peak number c 3278 F1= 1.388 F2= 1.657 null null d= 3.0
assi (( resid 102 and name HB*
))
(( resid 102 and name HG2
))
3 1.12 1.12
! peak number c 3286 F1= 8.038 F2= 1.649 null null d= 3.3
assi (( resid 102 and name HB*
))
(( resid 102 and name HN
))
3.3 1.36 1.36
! peak number c 3287 F1= 8.428 F2= 1.651 null null d= 3.0
assi (( resid 102 and name HB*
))
(( resid 103 and name HN
))
3 1.12 1.12
! peak number c 3845 F1= 3.056 F2= 1.664 null null d= 5.2
assi (( resid 102 and name HB*
))
(( resid 104 and name HB2) or ( resid 103 and name HB2
))
5.2 3.38 3.38
! peak number c 3285 F1= 7.185 F2= 1.654 null null d= 4.3
assi (( resid 102 and name HB*
))
(( resid 104 and name HD*
))
4.3 2.31 2.31
! peak number c 1268 F1= 1.639 F2= 6.639 null null d= 3.1
assi (( resid 102 and name HB*
))
(( resid 104 and name HE*
))
3.1 1.20 1.20
! peak number c 3282 F1= 4.713 F2= 1.666 null null d= 4.2
assi (( resid 102 and name HB*
))
(( resid 95 and name HA
))
4.2 2.21 2.21
! peak number c 3279 F1= 0.405 F2= 1.651 null null d= 4.4
assi (( resid 102 and name HB*
))
(( resid 95 and name HD1*
))
4.4 2.42 2.42
! peak number c 3839 F1= 1.907 F2= 1.636 null null d= 3.2
assi (( resid 102 and name HB*
))
(( resid 96 and name HB2) or ( resid 108 and name HB*
))
3.2 1.28 1.28
! peak number c 3150 F1= 1.598 F2= 2.856 null null d= 2.2
assi (( resid 102 and name HD*
))
(( resid 102 and name HE*
))
2.2 0.61 0.61
! peak number c 2255 F1= 1.361 F2= 1.569 null null d= 2.0
assi (( resid 102 and name HD*
))
(( resid 102 and name HG2
))
2 0.50 0.50
! peak number c 2385 F1= 2.232 F2= 1.569 null null d= 3.0
assi (( resid 102 and name HD*
))
(( resid 98 and name HB2
))
3 1.12 1.12
! peak number n 959 F1= 1.245 F2= 8.450 null null d= 3.3
assi (( resid 102 and name HG1
))
(( resid 103 and name HN
))
3.3 1.36 1.36
! peak number c 1267 F1= 1.200 F2= 6.638 null null d= 4.3
assi (( resid 102 and name HG1
))
(( resid 104 and name HE*
))
4.3 2.31 2.31
! peak number n 1163 F1= 1.278 F2= 8.049 null null d= 3.4
assi (( resid 102 and name HG1) or ( resid 101 and name HB1
))
(( resid 102 and name HN
))
3.4 1.44 1.44
! peak number n 960 F1= 1.377 F2= 8.444 null null d= 3.9
assi (( resid 102 and name HG2
))
(( resid 103 and name HN
))
3.9 1.90 1.90
! peak number c 1273 F1= 8.039 F2= 6.640 null null d= 4.6
assi (( resid 102 and name HN
))
(( resid 104 and name HE*
))
4.59 2.64 2.64
! peak number n 1170 F1= 8.991 F2= 8.056 null null d= 3.3
assi (( resid 102 and name HN
))
(( resid 95 and name HN
))
3.3 0.84 0.84
! peak number n 1160 F1= 5.085 F2= 8.052 null null d= 3.5
assi (( resid 102 and name HN
))
(( resid 96 and name HA
))
3.5 0.88 0.88
! peak number n 1169 F1= 8.872 F2= 8.071 null null d= 3.7
assi (( resid 102 and name HN
))
(( resid 97 and name HN
))
3.7 0.93 0.93
! peak number c 3291 F1= 5.583 F2= 2.928 null null d= 4.1
assi (( resid 103 and name HA
))
(( resid 103 and name HB1
))
4.09 2.10 2.10
! peak number c 3290 F1= 5.582 F2= 3.055 null null d= 4.3
assi (( resid 103 and name HA
))
(( resid 103 and name HB2
))
4.3 2.31 2.31
! peak number c 1111 F1= 5.569 F2= 7.295 null null d= 4.9
assi (( resid 103 and name HA
))
(( resid 103 and name HE3
))
4.9 3.00 3.00
! peak number n 965 F1= 5.590 F2= 8.447 null null d= 3.3
assi (( resid 103 and name HA
))
(( resid 103 and name HN
))
3.3 0.82 0.82
! peak number n 1127 F1= 5.591 F2= 10.007 null null d= 2.8
assi (( resid 103 and name HA
))
(( resid 104 and name HN
))
2.8 0.70 0.70
! peak number c 367 F1= 5.569 F2= 4.125 null null d= 3.6
assi (( resid 103 and name HA
))
(( resid 94 and name HA
))
3.6 0.90 0.90
! peak number c 410 F1= 2.699 F2= 5.591 null null d= 4.7
assi (( resid 103 and name HA
))
(( resid 94 and name HB2) or ( resid 92 and name HB1) or ( resid 104 and name HB1
))
4.7 2.76 2.76
! peak number n 31 F1= 5.594 F2= 8.993 null null d= 3.6
assi (( resid 103 and name HA
))
(( resid 95 and name HN
))
3.6 0.90 0.90
! peak number c 1106 F1= 2.920 F2= 7.327 null null d= 4.0
assi (( resid 103 and name HB1
))
(( resid 103 and name HD1
))
4 2.00 2.00
! peak number c 3289 F1= 7.302 F2= 2.926 null null d= 3.7
assi (( resid 103 and name HB1
))
(( resid 103 and name HE3
))
3.7 1.71 1.71
! peak number n 962 F1= 2.964 F2= 8.450 null null d= 3.3
assi (( resid 103 and name HB1
))
(( resid 103 and name HN
))
3.3 1.36 1.36
! peak number c 368 F1= 2.920 F2= 4.113 null null d= 5.5 dist trop loin
! peak number c 1107 F1= 3.046 F2= 7.329 null null d= 3.9
assi (( resid 103 and name HB2
))
(( resid 103 and name HD1
))
3.9 1.95 1.95
! peak number c 3856 F1= 8.416 F2= 3.054 null null d= 3.4
assi (( resid 103 and name HB2
))
(( resid 103 and name HN
))
3.4 1.40 1.40
! peak number c 1104 F1= 10.240 F2= 7.329 null null d= 5.4 dist trop loin
! peak number c 1274 F1= 8.440 F2= 7.327 null null d= 3.5
assi (( resid 103 and name HD1
))
(( resid 103 and name HN
))
3.5 1.58 1.58
! peak number c 1126 F1= 7.278 F2= 7.506 null null d= 5.8 dist trop loin
! peak number c 1108 F1= 6.724 F2= 7.292 null null d= 4.2
assi (( resid 103 and name HE3
))
(( resid 103 and name HZ3
))
4.2 2.15 2.15
! peak number c 1278 F1= 9.986 F2= 7.287 null null d= 4.2
assi (( resid 103 and name HE3
))
(( resid 104 and name HN
))
4.2 2.15 2.15
! peak number c 1277 F1= 5.267 F2= 7.291 null null d= 5.0
assi (( resid 103 and name HE3
))
(( resid 92 and name HA
))
5 3.12 3.12
! peak number c 1276 F1= 2.692 F2= 7.291 null null d= 3.9
assi (( resid 103 and name HE3
))
(( resid 92 and name HB1
))
3.9 1.90 1.90
! peak number c 1112 F1= 2.938 F2= 7.289 null null d= 3.4
assi (( resid 103 and name HE3
))
(( resid 92 and name HB2
))
3.4 1.44 1.44
! peak number c 1109 F1= 6.913 F2= 7.291 null null d= 5.2
assi (( resid 103 and name HE3
))
(( resid 92 and name HD*
))
5.2 3.38 3.38
! peak number c 1124 F1= 7.021 F2= 7.497 null null d= 3.2
assi (( resid 103 and name HH2
))
(( resid 103 and name HZ2
))
3.2 1.28 1.28
! peak number c 1125 F1= 6.725 F2= 7.500 null null d= 4.5
assi (( resid 103 and name HH2
))
(( resid 103 and name HZ3
))
4.5 2.53 2.53
! peak number c 3090 F1= 7.472 F2= 2.336 null null d= 5.2
assi (( resid 103 and name HH2
))
(( resid 85 and name HD1
))
5.2 3.38 3.38
! peak number c 1283 F1= 1.939 F2= 7.494 null null d= 5.0
assi (( resid 103 and name HH2
))
(( resid 85 and name HD2
))
5 3.12 3.12
! peak number c 3805 F1= 7.013 F2= 1.408 null null d= 4.2
assi (( resid 103 and name HZ2
))
(( resid 85 and name HB1
))
4.2 2.21 2.21
! peak number c 1310 F1= 7.048 F2= 6.893 null null d= 3.6
assi (( resid 103 and name HZ2
))
(( resid 92 and name HD*
))
3.6 1.62 1.62
! peak number n 978 F1= 6.738 F2= 9.180 null null d= 3.1
assi (( resid 103 and name HZ3
))
(( resid 85 and name HN
))
3.1 1.20 1.20
! peak number c 1116 F1= 6.918 F2= 6.753 null null d= 2.9
assi (( resid 103 and name HZ3
))
(( resid 92 and name HD*
))
2.9 1.05 1.05
! peak number n 831 F1= 6.726 F2= 8.330 null null d= 3.7
assi (( resid 103 and name HZ3
))
(( resid 94 and name HN
))
3.7 1.71 1.71
! peak number c 3297 F1= 4.954 F2= 2.673 null null d= 4.0
assi (( resid 104 and name HA
))
(( resid 104 and name HB1
))
4 2.00 2.00
! peak number c 3296 F1= 4.959 F2= 3.069 null null d= 3.7
assi (( resid 104 and name HA
))
(( resid 104 and name HB2
))
3.7 1.71 1.71
! peak number c 1060 F1= 4.973 F2= 7.196 null null d= 4.0
assi (( resid 104 and name HA
))
(( resid 104 and name HD*
))
4 2.00 2.00
! peak number c 1270 F1= 4.996 F2= 6.644 null null d= 5.8 dist trop loin
! peak number n 1126 F1= 4.992 F2= 10.008 null null d= 3.3
assi (( resid 104 and name HA
))
(( resid 104 and name HN
))
3.3 0.82 0.82
! peak number n 1111 F1= 4.989 F2= 9.132 null null d= 2.5
assi (( resid 104 and name HA
))
(( resid 105 and name HN
))
2.5 0.62 0.62
! peak number c 414 F1= 1.935 F2= 4.969 null null d= 4.0
assi (( resid 104 and name HA
))
(( resid 108 and name HB*) or ( resid 105 and name HB2
))
4 2.00 2.00
! peak number n 1067 F1= 4.990 F2= 8.163 null null d= 4.1
assi (( resid 104 and name HA
))
(( resid 108 and name HN
))
4.09 1.02 1.02
! peak number c 415 F1= 0.254 F2= 4.972 null null d= 4.5
assi (( resid 104 and name HA
))
(( resid 109 and name HG1*
))
4.5 2.53 2.53
! peak number c 417 F1= 0.700 F2= 4.961 null null d= 4.7
assi (( resid 104 and name HA
))
(( resid 109 and name HG2*
))
4.7 2.76 2.76
! peak number c 412 F1= 2.949 F2= 4.974 null null d= 5.1
assi (( resid 104 and name HA
))
(( resid 92 and name HB2) or ( resid 103 and name HB1
))
5.09 3.25 3.25
! peak number c 416 F1= 0.395 F2= 4.978 null null d= 4.4
assi (( resid 104 and name HA
))
(( resid 95 and name HD1*
))
4.4 2.42 2.42
! peak number c 3298 F1= 3.094 F2= 2.686 null null d= 4.0
assi (( resid 104 and name HB1
))
(( resid 104 and name HB2
))
4 2.05 2.05
! peak number c 1058 F1= 2.689 F2= 7.196 null null d= 3.8
assi (( resid 104 and name HB1
))
(( resid 104 and name HD*
))
3.8 1.76 1.76
! peak number c 3293 F1= 9.972 F2= 2.685 null null d= 3.8
assi (( resid 104 and name HB1
))
(( resid 104 and name HN
))
3.8 1.81 1.81
! peak number n 1120 F1= 2.717 F2= 9.131 null null d= 3.4
assi (( resid 104 and name HB1
))
(( resid 105 and name HN
))
3.4 1.44 1.44
! peak number c 3300 F1= 1.933 F2= 2.682 null null d= 3.5
assi (( resid 104 and name HB1
))
(( resid 108 and name HB*
))
3.5 1.58 1.58
! peak number c 3377 F1= 2.693 F2= 0.697 null null d= 3.5
assi (( resid 104 and name HB1
))
(( resid 109 and name HG2*
))
3.5 1.49 1.49
! peak number c 1263 F1= 3.091 F2= 7.199 null null d= 3.5
assi (( resid 104 and name HB2
))
(( resid 104 and name HD*
))
3.5 1.58 1.58
! peak number c 3292 F1= 9.982 F2= 3.066 null null d= 3.8
assi (( resid 104 and name HB2
))
(( resid 104 and name HN
))
3.8 1.76 1.76
! peak number c 424 F1= 3.069 F2= 3.997 null null d= 5.4 dist trop loin
! peak number c 3307 F1= 3.069 F2= 1.790 null null d= 4.2
assi (( resid 104 and name HB2
))
(( resid 105 and name HB1
))
4.2 2.21 2.21
! peak number c 3310 F1= 3.068 F2= 1.952 null null d= 4.3
assi (( resid 104 and name HB2
))
(( resid 105 and name HB2
))
4.3 2.31 2.31
! peak number n 1114 F1= 3.103 F2= 9.129 null null d= 3.1
assi (( resid 104 and name HB2
))
(( resid 105 and name HN
))
3.1 1.20 1.20
! peak number c 3333 F1= 3.069 F2= 2.568 null null d= 4.4
assi (( resid 104 and name HB2
))
(( resid 107 and name HG1
))
4.4 2.42 2.42
! peak number c 3332 F1= 3.067 F2= 2.689 null null d= 4.2
assi (( resid 104 and name HB2
))
(( resid 107 and name HG2
))
4.2 2.21 2.21
! peak number c 3302 F1= 1.911 F2= 3.072 null null d= 3.4
assi (( resid 104 and name HB2
))
(( resid 108 and name HB*
))
3.4 1.40 1.40
! peak number c 3375 F1= 3.071 F2= 0.695 null null d= 3.5
assi (( resid 104 and name HB2
))
(( resid 109 and name HG2*
))
3.5 1.53 1.53
! peak number c 1062 F1= 6.623 F2= 7.198 null null d= 2.8
assi (( resid 104 and name HD*
))
(( resid 104 and name HE*
))
2.8 0.98 0.98
! peak number c 1061 F1= 9.999 F2= 7.196 null null d= 3.7
assi (( resid 104 and name HD*
))
(( resid 104 and name HN
))
3.7 1.67 1.67
! peak number n 1218 F1= 7.199 F2= 9.135 null null d= 3.5
assi (( resid 104 and name HD*
))
(( resid 105 and name HN
))
3.5 1.53 1.53
! peak number c 1261 F1= 1.937 F2= 7.196 null null d= 3.2
assi (( resid 104 and name HD*
))
(( resid 108 and name HB*
))
3.2 1.32 1.32
! peak number c 2887 F1= 7.174 F2= 0.404 null null d= 3.8
assi (( resid 104 and name HD*
))
(( resid 69 and name HB*
))
3.8 1.80 1.80
! peak number c 1262 F1= 2.886 F2= 7.193 null null d= 4.9
assi (( resid 104 and name HD*
))
(( resid 93 and name HB*
))
4.9 3.00 3.00
! peak number c 3165 F1= 7.182 F2= 2.005 null null d= 3.4
assi (( resid 104 and name HD*
))
(( resid 95 and name HB
))
3.4 1.44 1.44
! peak number c 1260 F1= 0.395 F2= 7.196 null null d= 3.2
assi (( resid 104 and name HD*
))
(( resid 95 and name HD1*) or ( resid 69 and name HB*
))
3.2 1.28 1.28
! peak number c 3174 F1= 7.175 F2= 1.002 null null d= 4.0
assi (( resid 104 and name HD*
))
(( resid 95 and name HG11
))
4 2.00 2.00
! peak number c 3175 F1= 7.177 F2= 1.171 null null d= 3.8
assi (( resid 104 and name HD*
))
(( resid 95 and name HG12
))
3.8 1.80 1.80
! peak number n 33 F1= 7.192 F2= 8.994 null null d= 3.7
assi (( resid 104 and name HD*
))
(( resid 95 and name HN
))
3.7 1.71 1.71
! peak number c 1266 F1= 0.394 F2= 6.640 null null d= 3.4
assi (( resid 104 and name HE*
))
(( resid 69 and name HB*
))
3.4 1.45 1.45
! peak number c 1269 F1= 1.986 F2= 6.639 null null d= 3.5
assi (( resid 104 and name HE*
))
(( resid 95 and name HB
))
3.5 1.49 1.49
! peak number c 3697 F1= 6.618 F2= 0.397 null null d= 4.7
assi (( resid 104 and name HE*
))
(( resid 95 and name HD1*
))
4.7 2.76 2.76
! peak number c 3186 F1= 6.620 F2= 0.385 null null d= 3.7
assi (( resid 104 and name HE*
))
(( resid 95 and name HG2*
))
3.7 1.71 1.71
! peak number c 1272 F1= 8.986 F2= 6.640 null null d= 3.8
assi (( resid 104 and name HE*
))
(( resid 95 and name HN
))
3.8 1.85 1.85
! peak number n 1132 F1= 9.123 F2= 9.997 null null d= 4.3
assi (( resid 104 and name HN
))
(( resid 105 and name HN
))
4.3 1.07 1.07
! peak number n 1122 F1= 2.944 F2= 10.006 null null d= 3.2
assi (( resid 104 and name HN
))
(( resid 92 and name HB2) or ( resid 103 and name HB1
))
3.2 1.28 1.28
! peak number n 1131 F1= 9.889 F2= 10.005 null null d= 3.9
assi (( resid 104 and name HN
))
(( resid 93 and name HN
))
3.9 0.98 0.98
! peak number n 1291 F1= 4.141 F2= 10.012 null null d= 5.3
assi (( resid 104 and name HN
))
(( resid 94 and name HA
))
5.3 1.32 1.32
! peak number n 1125 F1= 0.442 F2= 10.002 null null d= 3.9
assi (( resid 104 and name HN
))
(( resid 95 and name HD1*
))
3.9 1.90 1.90
! peak number n 1124 F1= 1.054 F2= 10.004 null null d= 4.1
assi (( resid 104 and name HN
))
(( resid 95 and name HG11
))
4.09 2.10 2.10
! peak number c 3305 F1= 3.998 F2= 1.793 null null d= 3.8
assi (( resid 105 and name HA
))
(( resid 105 and name HB1
))
3.8 1.80 1.80
! peak number c 3306 F1= 3.996 F2= 1.952 null null d= 3.2
assi (( resid 105 and name HA
))
(( resid 105 and name HB2
))
3.2 1.32 1.32
! peak number n 1118 F1= 4.025 F2= 9.132 null null d= 3.3
assi (( resid 105 and name HA
))
(( resid 105 and name HN
))
3.3 0.82 0.82
! peak number c 359 F1= 3.988 F2= 5.293 null null d= 3.5
assi (( resid 105 and name HA
))
(( resid 92 and name HA
))
3.5 0.89 0.89
! peak number c 423 F1= 2.969 F2= 4.000 null null d= 5.7 dist trop loin
! peak number c 1300 F1= 3.984 F2= 6.752 null null d= 5.1
assi (( resid 105 and name HA
))
(( resid 93 and name HE*
))
5.09 3.25 3.25
! peak number n 1282 F1= 4.030 F2= 9.909 null null d= 3.7
assi (( resid 105 and name HA
))
(( resid 93 and name HN
))
3.7 0.93 0.93
! peak number c 3304 F1= 9.111 F2= 1.789 null null d= 3.3
assi (( resid 105 and name HB1
))
(( resid 105 and name HN
))
3.3 1.36 1.36
! peak number n 936 F1= 1.819 F2= 7.929 null null d= 3.3
assi (( resid 105 and name HB1
))
(( resid 106 and name HN
))
3.3 1.36 1.36
! peak number c 3324 F1= 1.772 F2= 2.567 null null d= 4.9
assi (( resid 105 and name HB1
))
(( resid 107 and name HG1
))
4.9 3.00 3.00
! peak number c 3323 F1= 1.776 F2= 2.686 null null d= 4.9
assi (( resid 105 and name HB1
))
(( resid 107 and name HG2
))
4.9 3.00 3.00
! peak number n 392 F1= 1.802 F2= 8.859 null null d= 3.4
assi (( resid 105 and name HB1
))
(( resid 107 and name HN
))
3.4 1.44 1.44
! peak number c 3303 F1= 9.121 F2= 1.959 null null d= 3.2
assi (( resid 105 and name HB2
))
(( resid 105 and name HN
))
3.2 1.28 1.28
! peak number c 3325 F1= 1.950 F2= 2.566 null null d= 4.4
assi (( resid 105 and name HB2
))
(( resid 107 and name HG1
))
4.4 2.42 2.42
! peak number c 3309 F1= 2.669 F2= 1.952 null null d= 4.4
assi (( resid 105 and name HB2
))
(( resid 107 and name HG2
))
4.4 2.42 2.42
! peak number c 362 F1= 1.980 F2= 5.299 null null d= 5.6 dist trop loin
! peak number c 3341 F1= 9.105 F2= 1.924 null null d= 3.8
assi (( resid 105 and name HN
))
(( resid 108 and name HB*
))
3.8 1.80 1.80
! peak number n 1116 F1= 1.516 F2= 9.133 null null d= 3.2
assi (( resid 105 and name HN
))
(( resid 91 and name HB1
))
3.2 1.28 1.28
! peak number n 1217 F1= 6.889 F2= 9.135 null null d= 4.2
assi (( resid 105 and name HN
))
(( resid 92 and name HD*
))
4.2 2.21 2.21
! peak number c 427 F1= 1.955 F2= 4.048 null null d= 4.7
assi (( resid 106 and name HA
))
(( resid 106 and name HB1
))
4.7 2.76 2.76
! peak number c 426 F1= 0.479 F2= 4.036 null null d= 4.4
assi (( resid 106 and name HA
))
(( resid 91 and name HD1*
))
4.4 2.42 2.42
! peak number c 1292 F1= 4.046 F2= 7.144 null null d= 4.7
assi (( resid 106 and name HA
))
(( resid 93 and name HD*
))
4.7 2.76 2.76
! peak number n 940 F1= 4.032 F2= 7.928 null null d= 2.7
assi (( resid 106 and name HA) or ( resid 105 and name HA
))
(( resid 106 and name HN
))
2.7 0.91 0.91
! peak number c 3133 F1= 7.954 F2= 1.993 null null d= 3.3
assi (( resid 106 and name HB1
))
(( resid 106 and name HN
))
3.3 1.36 1.36
! peak number c 3356 F1= 0.463 F2= 1.961 null null d= 4.2
assi (( resid 106 and name HB1
))
(( resid 91 and name HD1*
))
4.2 2.21 2.21
! peak number n 937 F1= 1.992 F2= 7.926 null null d= 2.9
assi (( resid 106 and name HB1) or ( resid 105 and name HB2
))
(( resid 106 and name HN
))
2.9 1.05 1.05
! peak number n 393 F1= 1.995 F2= 8.864 null null d= 3.0
assi (( resid 106 and name HB1) or ( resid 105 and name HB2
))
(( resid 107 and name HN
))
3 1.12 1.12
! peak number c 2493 F1= 2.157 F2= 2.988 null null d= 3.4
assi (( resid 106 and name HB2
))
(( resid 43 and name HB1
))
3.4 1.44 1.44
! peak number c 2503 F1= 2.125 F2= 2.620 null null d= 4.4
assi (( resid 106 and name HB2
))
(( resid 44 and name HB2
))
4.4 2.42 2.42
! peak number c 3878 F1= 2.878 F2= 2.134 null null d= 5.1
assi (( resid 106 and name HB2) or ( resid 100 and name HB2
))
(( resid 93 and name HB2) or ( resid 102 and name HE*
))
5.09 3.25 3.25
! peak number n 401 F1= 7.916 F2= 8.866 null null d= 3.8
assi (( resid 106 and name HN
))
(( resid 107 and name HN
))
3.8 0.96 0.96
! peak number n 941 F1= 5.314 F2= 7.930 null null d= 3.7
assi (( resid 106 and name HN
))
(( resid 92 and name HA
))
3.7 0.93 0.93
! peak number n 943 F1= 7.139 F2= 7.933 null null d= 3.7
assi (( resid 106 and name HN
))
(( resid 93 and name HD*
))
3.7 1.71 1.71
! peak number c 3317 F1= 4.615 F2= 2.227 null null d= 3.7
assi (( resid 107 and name HA
))
(( resid 107 and name HB1
))
3.7 1.67 1.67
! peak number c 3319 F1= 4.619 F2= 2.409 null null d= 3.7
assi (( resid 107 and name HA
))
(( resid 107 and name HB2
))
3.7 1.71 1.71
! peak number c 3334 F1= 4.593 F2= 2.560 null null d= 4.8
assi (( resid 107 and name HA
))
(( resid 107 and name HG1
))
4.8 2.94 2.94
! peak number c 3335 F1= 4.573 F2= 2.695 null null d= 4.3
assi (( resid 107 and name HA
))
(( resid 107 and name HG2
))
4.3 2.37 2.37
! peak number n 398 F1= 4.616 F2= 8.866 null null d= 3.2
assi (( resid 107 and name HA
))
(( resid 107 and name HN
))
3.2 0.80 0.80
! peak number c 3312 F1= 2.217 F2= 2.405 null null d= 2.7
assi (( resid 107 and name HB1
))
(( resid 107 and name HB2
))
2.7 0.91 0.91
! peak number c 3327 F1= 2.200 F2= 2.688 null null d= 3.3
assi (( resid 107 and name HB1
))
(( resid 107 and name HG2
))
3.3 1.36 1.36
! peak number c 3322 F1= 8.801 F2= 2.227 null null d= 3.6
assi (( resid 107 and name HB1
))
(( resid 107 and name HN
))
3.6 1.62 1.62
! peak number c 3316 F1= 2.967 F2= 2.234 null null d= 4.6
assi (( resid 107 and name HB1
))
(( resid 44 and name HB1
))
4.59 2.64 2.64
! peak number c 3314 F1= 2.646 F2= 2.233 null null d= 3.4
assi (( resid 107 and name HB1
))
(( resid 44 and name HB2
))
3.4 1.44 1.44
! peak number c 3313 F1= 2.662 F2= 2.408 null null d= 3.1
assi (( resid 107 and name HB2
))
(( resid 107 and name HG2
))
3.1 1.20 1.20
! peak number c 3321 F1= 8.842 F2= 2.404 null null d= 3.5
assi (( resid 107 and name HB2
))
(( resid 107 and name HN
))
3.5 1.49 1.49
! peak number c 2759 F1= 3.342 F2= 2.389 null null d= 3.8
assi (( resid 107 and name HB2
))
(( resid 42 and name HB1
))
3.8 1.80 1.80
! peak number c 3315 F1= 2.993 F2= 2.410 null null d= 4.2
assi (( resid 107 and name HB2
))
(( resid 43 and name HB1
))
4.2 2.21 2.21
! peak number c 3328 F1= 2.698 F2= 2.565 null null d= 2.5
assi (( resid 107 and name HG1
))
(( resid 107 and name HG2
))
2.5 0.78 0.78
! peak number c 3338 F1= 8.851 F2= 2.563 null null d= 3.5
assi (( resid 107 and name HG1
))
(( resid 107 and name HN
))
3.5 1.58 1.58
! peak number c 3337 F1= 8.150 F2= 2.566 null null d= 5.3
assi (( resid 107 and name HG1
))
(( resid 108 and name HN
))
5.3 3.51 3.51
! peak number c 3331 F1= 2.962 F2= 2.565 null null d= 4.4
assi (( resid 107 and name HG1
))
(( resid 44 and name HB1
))
4.4 2.42 2.42
! peak number c 3339 F1= 8.833 F2= 2.690 null null d= 3.4
assi (( resid 107 and name HG2
))
(( resid 107 and name HN
))
3.4 1.40 1.40
! peak number c 3336 F1= 8.149 F2= 2.697 null null d= 5.0
assi (( resid 107 and name HG2
))
(( resid 108 and name HN
))
5 3.12 3.12
! peak number n 1070 F1= 8.869 F2= 8.172 null null d= 3.3
assi (( resid 107 and name HN
))
(( resid 108 and name HN
))
3.3 0.82 0.82
! peak number c 3345 F1= 4.589 F2= 1.926 null null d= 2.8
assi (( resid 108 and name HA
))
(( resid 108 and name HB*
))
2.8 0.98 0.98
! peak number n 687 F1= 4.611 F2= 7.483 null null d= 2.9
assi (( resid 108 and name HA
))
(( resid 109 and name HN
))
2.9 0.72 0.72
! peak number c 434 F1= 1.457 F2= 4.591 null null d= 4.3
assi (( resid 108 and name HA
))
(( resid 70 and name HB1
))
4.3 2.31 2.31
! peak number c 435 F1= 1.579 F2= 4.590 null null d= 4.9
assi (( resid 108 and name HA
))
(( resid 70 and name HB2
))
4.9 3.00 3.00
! peak number c 432 F1= 0.525 F2= 4.592 null null d= 3.7
assi (( resid 108 and name HA
))
(( resid 70 and name HD1*
))
3.7 1.71 1.71
! peak number c 433 F1= 1.369 F2= 4.590 null null d= 5.0
assi (( resid 108 and name HA
))
(( resid 70 and name HG
))
5 3.12 3.12
! peak number c 3342 F1= 8.163 F2= 1.925 null null d= 2.7
assi (( resid 108 and name HB*
))
(( resid 108 and name HN
))
2.7 0.91 0.91
! peak number c 3352 F1= 0.682 F2= 1.929 null null d= 3.2
assi (( resid 108 and name HB*
))
(( resid 109 and name HG2*
))
3.2 1.28 1.28
! peak number c 3343 F1= 7.452 F2= 1.925 null null d= 3.7
assi (( resid 108 and name HB*
))
(( resid 109 and name HN
))
3.7 1.71 1.71
! peak number c 3347 F1= 4.974 F2= 1.923 null null d= 3.2
assi (( resid 108 and name HB*
))
(( resid 69 and name HA) or ( resid 104 and name HA
))
3.2 1.28 1.28
! peak number c 2909 F1= 1.911 F2= 1.454 null null d= 3.8
assi (( resid 108 and name HB*
))
(( resid 70 and name HB1
))
3.8 1.76 1.76
! peak number c 2908 F1= 1.929 F2= 1.570 null null d= 3.8
assi (( resid 108 and name HB*
))
(( resid 70 and name HB2
))
3.8 1.80 1.80
! peak number c 2925 F1= 1.926 F2= 0.529 null null d= 3.6
assi (( resid 108 and name HB*
))
(( resid 70 and name HD1*
))
3.6 1.62 1.62
! peak number c 3340 F1= 8.950 F2= 1.925 null null d= 3.6
assi (( resid 108 and name HB*
))
(( resid 70 and name HN
))
3.6 1.62 1.62
! peak number n 1063 F1= 0.720 F2= 8.165 null null d= 3.4
assi (( resid 108 and name HN
))
(( resid 109 and name HG2*
))
3.4 1.44 1.44
! peak number n 1068 F1= 7.478 F2= 8.169 null null d= 2.7
assi (( resid 108 and name HN
))
(( resid 109 and name HN
))
2.7 0.68 0.68
! peak number c 3380 F1= 4.389 F2= 1.964 null null d= 4.5
assi (( resid 109 and name HA
))
(( resid 109 and name HB
))
4.5 2.53 2.53
! peak number c 108 F1= 0.216 F2= 4.375 null null d= 3.8
assi (( resid 109 and name HA
))
(( resid 109 and name HG1*
))
3.8 1.76 1.76
! peak number c 110 F1= 0.685 F2= 4.378 null null d= 3.6
assi (( resid 109 and name HA
))
(( resid 109 and name HG2*
))
3.6 1.62 1.62
! peak number n 686 F1= 4.390 F2= 7.490 null null d= 3.3
assi (( resid 109 and name HA
))
(( resid 109 and name HN
))
3.3 0.82 0.82
! peak number n 199 F1= 4.392 F2= 9.001 null null d= 2.8
assi (( resid 109 and name HA
))
(( resid 110 and name HN
))
2.8 0.70 0.70
! peak number c 111 F1= 5.001 F2= 4.376 null null d= 3.8
assi (( resid 109 and name HA
))
(( resid 69 and name HA
))
3.8 0.94 0.94
! peak number c 2891 F1= 4.368 F2= 0.404 null null d= 4.3
assi (( resid 109 and name HA
))
(( resid 69 and name HB*
))
4.3 2.31 2.31
! peak number n 1279 F1= 4.390 F2= 8.975 null null d= 3.8
assi (( resid 109 and name HA
))
(( resid 70 and name HN
))
3.8 0.95 0.95
! peak number c 3200 F1= 4.380 F2= 0.401 null null d= 5.0
assi (( resid 109 and name HA
))
(( resid 95 and name HD1*
))
5 3.12 3.12
! peak number c 3354 F1= 0.221 F2= 1.956 null null d= 3.0
assi (( resid 109 and name HB
))
(( resid 109 and name HG1*
))
3 1.16 1.16
! peak number c 3355 F1= 0.700 F2= 1.957 null null d= 2.9
assi (( resid 109 and name HB
))
(( resid 109 and name HG2*
))
2.9 1.05 1.05
! peak number c 3359 F1= 7.477 F2= 1.956 null null d= 3.2
assi (( resid 109 and name HB
))
(( resid 109 and name HN
))
3.2 1.32 1.32
! peak number c 2893 F1= 1.969 F2= 0.399 null null d= 3.8
assi (( resid 109 and name HB
))
(( resid 69 and name HB*
))
3.8 1.80 1.80
! peak number c 1286 F1= 1.937 F2= 7.135 null null d= 4.2
assi (( resid 109 and name HB
))
(( resid 93 and name HD*
))
4.2 2.20 2.20
! peak number c 3182 F1= 1.977 F2= 0.384 null null d= 2.9
assi (( resid 109 and name HB
))
(( resid 95 and name HG2*
))
2.9 1.05 1.05
! peak number c 3363 F1= 0.719 F2= 0.211 null null d= 2.6
assi (( resid 109 and name HG1*
))
(( resid 109 and name HG2*
))
2.6 0.85 0.85
! peak number c 3367 F1= 7.467 F2= 0.213 null null d= 3.8
assi (( resid 109 and name HG1*
))
(( resid 109 and name HN
))
3.8 1.76 1.76
! peak number c 3370 F1= 8.973 F2= 0.211 null null d= 3.4
assi (( resid 109 and name HG1*
))
(( resid 110 and name HN
))
3.4 1.44 1.44
! peak number c 3818 F1= 0.193 F2= 1.437 null null d= 5.6 dist trop loin
! peak number c 3362 F1= 0.456 F2= 0.210 null null d= 2.6
assi (( resid 109 and name HG1*
))
(( resid 67 and name HG2*
))
2.6 0.85 0.85
! peak number c 3369 F1= 8.805 F2= 0.214 null null d= 4.1
assi (( resid 109 and name HG1*
))
(( resid 67 and name HN) or ( resid 107 and name HN
))
4.09 2.10 2.10
! peak number n 584 F1= 0.240 F2= 8.843 null null d= 3.9
assi (( resid 109 and name HG1*
))
(( resid 68 and name HN
))
3.9 1.90 1.90
! peak number c 283 F1= 0.244 F2= 5.011 null null d= 4.0
assi (( resid 109 and name HG1*
))
(( resid 69 and name HA
))
4 1.95 1.95
! peak number c 3368 F1= 7.122 F2= 0.215 null null d= 3.9
assi (( resid 109 and name HG1*
))
(( resid 93 and name HD*
))
3.9 1.90 1.90
! peak number c 299 F1= 0.252 F2= 4.675 null null d= 3.2
assi (( resid 109 and name HG1*
))
(( resid 95 and name HA
))
3.2 1.32 1.32
! peak number c 3690 F1= 1.021 F2= 0.213 null null d= 4.0
assi (( resid 109 and name HG1*
))
(( resid 95 and name HG11
))
4 2.00 2.00
! peak number c 3371 F1= 7.445 F2= 0.691 null null d= 3.0
assi (( resid 109 and name HG2*
))
(( resid 109 and name HN
))
3 1.16 1.16
! peak number c 286 F1= 0.692 F2= 5.004 null null d= 4.8
assi (( resid 109 and name HG2*
))
(( resid 69 and name HA
))
4.8 2.88 2.88
! peak number c 3374 F1= 5.252 F2= 0.681 null null d= 3.8
assi (( resid 109 and name HG2*
))
(( resid 93 and name HA
))
3.8 1.80 1.80
! peak number c 3376 F1= 2.855 F2= 0.698 null null d= 3.6
assi (( resid 109 and name HG2*
))
(( resid 93 and name HB1
))
3.6 1.62 1.62
! peak number c 3895 F1= 0.714 F2= 2.891 null null d= 4.4
assi (( resid 109 and name HG2*
))
(( resid 93 and name HB2
))
4.4 2.42 2.42
! peak number c 1288 F1= 0.703 F2= 7.139 null null d= 3.1
assi (( resid 109 and name HG2*
))
(( resid 93 and name HD*
))
3.1 1.24 1.24
! peak number n 644 F1= 0.739 F2= 9.899 null null d= 3.9
assi (( resid 109 and name HG2*
))
(( resid 93 and name HN
))
3.9 1.90 1.90
! peak number c 2103 F1= 0.414 F2= 0.685 null null d= 2.3
assi (( resid 109 and name HG2*
))
(( resid 95 and name HD1*
))
2.29 0.66 0.66
! peak number c 3372 F1= 8.980 F2= 0.697 null null d= 3.6
assi (( resid 109 and name HG2*
))
(( resid 95 and name HN) or ( resid 70 and name HN) or ( resid 110 and name HN
))
3.6 1.62 1.62
! peak number n 1224 F1= 0.530 F2= 7.484 null null d= 4.1
assi (( resid 109 and name HN
))
(( resid 70 and name HD1*
))
4.09 2.10 2.10
! peak number n 691 F1= 8.984 F2= 7.481 null null d= 4.1
assi (( resid 109 and name HN
))
(( resid 70 and name HN) or ( resid 110 and name HN
))
4.09 2.10 2.10
! peak number c 2037 F1= 3.261 F2= 1.956 null null d= 3.6
assi (( resid 10 and name HA
))
(( resid 10 and name HB
))
3.6 1.62 1.62
! peak number c 31 F1= 0.868 F2= 3.255 null null d= 3.4
assi (( resid 10 and name HA
))
(( resid 10 and name HG1*
))
3.4 1.44 1.44
! peak number c 32 F1= 0.994 F2= 3.256 null null d= 3.0
assi (( resid 10 and name HA
))
(( resid 10 and name HG2*
))
3 1.12 1.12
! peak number c 2033 F1= 7.603 F2= 3.243 null null d= 3.4
assi (( resid 10 and name HA
))
(( resid 10 and name HN
))
3.4 0.84 0.84
! peak number c 33 F1= 4.378 F2= 3.265 null null d= 4.8
assi (( resid 10 and name HA
))
(( resid 11 and name HA2
))
4.8 1.20 1.20
! peak number c 2034 F1= 8.926 F2= 3.239 null null d= 3.2
assi (( resid 10 and name HA
))
(( resid 11 and name HN
))
3.2 0.81 0.81
! peak number n 853 F1= 3.269 F2= 7.595 null null d= 3.3
assi (( resid 10 and name HA
))
(( resid 12 and name HN
))
3.3 0.82 0.82
! peak number c 34 F1= 4.641 F2= 3.258 null null d= 5.5 dist trop loin
! peak number c 2035 F1= 0.864 F2= 1.958 null null d= 2.7
assi (( resid 10 and name HB
))
(( resid 10 and name HG1*
))
2.7 0.91 0.91
! peak number c 2036 F1= 1.019 F2= 1.958 null null d= 2.7
assi (( resid 10 and name HB
))
(( resid 10 and name HG2*
))
2.7 0.91 0.91
! peak number c 2039 F1= 7.635 F2= 1.960 null null d= 2.7
assi (( resid 10 and name HB
))
(( resid 10 and name HN
))
2.7 0.91 0.91
! peak number c 2038 F1= 4.409 F2= 1.959 null null d= 3.7
assi (( resid 10 and name HB
))
(( resid 31 and name HA
))
3.7 1.71 1.71
! peak number n 624 F1= 0.894 F2= 7.669 null null d= 2.7
assi (( resid 10 and name HG1*
))
(( resid 10 and name HN
))
2.7 0.91 0.91
! peak number n 504 F1= 0.889 F2= 8.926 null null d= 2.8
assi (( resid 10 and name HG1*
))
(( resid 11 and name HN
))
2.8 0.98 0.98
! peak number c 119 F1= 0.842 F2= 4.421 null null d= 3.7
assi (( resid 10 and name HG1*
))
(( resid 31 and name HA
))
3.7 1.71 1.71
! peak number c 2267 F1= 0.861 F2= 1.834 null null d= 4.3
assi (( resid 10 and name HG1*
))
(( resid 31 and name HB2
))
4.3 2.31 2.31
! peak number c 11 F1= 0.868 F2= 4.658 null null d= 4.2
assi (( resid 10 and name HG1*
))
(( resid 7 and name HA
))
4.2 2.21 2.21
! peak number c 21 F1= 0.873 F2= 4.387 null null d= 5.0
assi (( resid 10 and name HG1*
))
(( resid 8 and name HA
))
5 3.12 3.12
! peak number n 625 F1= 1.033 F2= 7.667 null null d= 2.4
assi (( resid 10 and name HG2*
))
(( resid 10 and name HN
))
2.4 0.72 0.72
! peak number n 505 F1= 1.019 F2= 8.923 null null d= 2.9
assi (( resid 10 and name HG2*
))
(( resid 11 and name HN
))
2.9 1.05 1.05
! peak number c 120 F1= 1.003 F2= 4.422 null null d= 3.2
assi (( resid 10 and name HG2*
))
(( resid 31 and name HA
))
3.2 1.28 1.28
! peak number c 2269 F1= 1.027 F2= 1.839 null null d= 4.3
assi (( resid 10 and name HG2*
))
(( resid 31 and name HB2
))
4.3 2.31 2.31
! peak number n 102 F1= 1.040 F2= 9.036 null null d= 2.9
assi (( resid 10 and name HG2*
))
(( resid 32 and name HN
))
2.9 1.05 1.05
! peak number c 12 F1= 0.998 F2= 4.657 null null d= 3.7
assi (( resid 10 and name HG2*
))
(( resid 7 and name HA
))
3.7 1.71 1.71
! peak number c 27 F1= 1.008 F2= 4.639 null null d= 3.4
assi (( resid 10 and name HG2*
))
(( resid 9 and name HA
))
3.4 1.44 1.44
! peak number n 1032 F1= 1.036 F2= 8.756 null null d= 3.2
assi (( resid 10 and name HG2*
))
(( resid 9 and name HN
))
3.2 1.28 1.28
! peak number n 508 F1= 7.667 F2= 8.934 null null d= 3.8
assi (( resid 10 and name HN
))
(( resid 11 and name HN
))
3.8 0.94 0.94
! peak number n 629 F1= 4.415 F2= 7.670 null null d= 3.7
assi (( resid 10 and name HN
))
(( resid 8 and name HA
))
3.7 0.93 0.93
! peak number n 630 F1= 4.657 F2= 7.669 null null d= 3.5
assi (( resid 10 and name HN
))
(( resid 9 and name HA
))
3.5 0.88 0.88
! peak number n 628 F1= 2.705 F2= 7.668 null null d= 3.7
assi (( resid 10 and name HN
))
(( resid 9 and name HB1
))
3.7 1.71 1.71
! peak number c 2019 F1= 7.632 F2= 3.200 null null d= 4.4
assi (( resid 10 and name HN
))
(( resid 9 and name HB2
))
4.4 2.42 2.42
! peak number n 1034 F1= 7.663 F2= 8.755 null null d= 3.1
assi (( resid 10 and name HN
))
(( resid 9 and name HN
))
3.1 0.78 0.78
! peak number c 3383 F1= 4.842 F2= 1.699 null null d= 4.2
assi (( resid 110 and name HA
))
(( resid 110 and name HB
))
4.2 2.15 2.15
! peak number c 3396 F1= 4.817 F2= 0.003 null null d= 4.6
assi (( resid 110 and name HA
))
(( resid 110 and name HD1*
))
4.59 2.64 2.64
! peak number c 2750 F1= 4.828 F2= 0.631 null null d= 3.0
assi (( resid 110 and name HA
))
(( resid 110 and name HG2*
))
3 1.16 1.16
! peak number n 201 F1= 4.874 F2= 9.000 null null d= 3.4
assi (( resid 110 and name HA
))
(( resid 110 and name HN
))
3.4 0.85 0.85
! peak number c 439 F1= 0.496 F2= 4.852 null null d= 4.8
assi (( resid 110 and name HA
))
(( resid 111 and name HD1*
))
4.8 2.88 2.88
! peak number n 496 F1= 4.874 F2= 8.239 null null d= 2.9
assi (( resid 110 and name HA
))
(( resid 111 and name HN
))
2.9 0.72 0.72
! peak number c 443 F1= 5.071 F2= 4.851 null null d= 5.0
assi (( resid 110 and name HA
))
(( resid 25 and name HA
))
5 1.25 1.25
! peak number c 3385 F1= 0.001 F2= 1.693 null null d= 3.5
assi (( resid 110 and name HB
))
(( resid 110 and name HD1*
))
3.5 1.53 1.53
! peak number c 2751 F1= 1.706 F2= 0.628 null null d= 3.1
assi (( resid 110 and name HB
))
(( resid 110 and name HG2*
))
3.1 1.20 1.20
! peak number n 205 F1= 1.732 F2= 9.003 null null d= 4.3
assi (( resid 110 and name HB
))
(( resid 110 and name HN
))
4.3 2.31 2.31
! peak number c 3430 F1= 1.713 F2= 0.462 null null d= 3.2
assi (( resid 110 and name HB
))
(( resid 111 and name HD1*
))
3.2 1.28 1.28
! peak number c 3886 F1= 8.251 F2= 1.715 null null d= 3.2
assi (( resid 110 and name HB
))
(( resid 111 and name HN
))
3.2 1.32 1.32
! peak number c 3586 F1= 0.303 F2= 1.727 null null d= 3.5
assi (( resid 110 and name HB
))
(( resid 67 and name HG1*
))
3.5 1.53 1.53
! peak number c 3766 F1= 1.698 F2= 0.936 null null d= 3.6
assi (( resid 110 and name HB
))
(( resid 68 and name HG2*
))
3.6 1.62 1.62
! peak number c 3389 F1= 0.796 F2= 0.002 null null d= 3.3
assi (( resid 110 and name HD1*
))
(( resid 110 and name HG11
))
3.3 1.36 1.36
! peak number c 3401 F1= 0.614 F2= 0.003 null null d= 2.5
assi (( resid 110 and name HD1*
))
(( resid 110 and name HG12
))
2.5 0.78 0.78
! peak number c 2752 F1= 0.009 F2= 0.625 null null d= 2.8
assi (( resid 110 and name HD1*
))
(( resid 110 and name HG2*
))
2.8 0.98 0.98
! peak number c 3400 F1= 8.969 F2= 0.002 null null d= 3.8
assi (( resid 110 and name HD1*
))
(( resid 110 and name HN
))
3.8 1.80 1.80
! peak number c 2197 F1= 0.021 F2= 2.242 null null d= 4.9
assi (( resid 110 and name HD1*
))
(( resid 23 and name HB1
))
4.9 3.00 3.00
! peak number c 3393 F1= 2.501 F2= 0.002 null null d= 4.4
assi (( resid 110 and name HD1*
))
(( resid 23 and name HB2
))
4.4 2.42 2.42
! peak number c 1176 F1= 0.008 F2= 6.807 null null d= 4.7
assi (( resid 110 and name HD1*
))
(( resid 23 and name HD*
))
4.7 2.70 2.70
! peak number c 1180 F1= 0.007 F2= 6.533 null null d= 4.2
assi (( resid 110 and name HD1*
))
(( resid 23 and name HE*
))
4.2 2.15 2.15
! peak number c 1196 F1= 0.009 F2= 7.168 null null d= 6.3 dist trop loin
! peak number c 1198 F1= 0.010 F2= 6.575 null null d= 4.3
assi (( resid 110 and name HD1*
))
(( resid 25 and name HE*
))
4.3 2.31 2.31
! peak number c 3394 F1= 3.830 F2= 0.002 null null d= 3.9
assi (( resid 110 and name HD1*
))
(( resid 68 and name HB
))
3.9 1.90 1.90
! peak number c 2875 F1= 0.006 F2= 0.934 null null d= 3.0
assi (( resid 110 and name HD1*
))
(( resid 68 and name HG2*
))
3 1.16 1.16
! peak number c 2929 F1= 0.012 F2= 0.521 null null d= 3.0
assi (( resid 110 and name HD1*
))
(( resid 70 and name HD1*
))
3 1.12 1.12
! peak number c 2930 F1= 0.010 F2= 0.564 null null d= 2.9
assi (( resid 110 and name HD1*
))
(( resid 70 and name HD2*
))
2.9 1.05 1.05
! peak number c 1229 F1= 0.009 F2= 6.961 null null d= 5.0
assi (( resid 110 and name HD1*
))
(( resid 76 and name HD*
))
5 3.12 3.12
! peak number c 1224 F1= 0.006 F2= 7.079 null null d= 4.3
assi (( resid 110 and name HD1*
))
(( resid 76 and name HE*
))
4.3 2.31 2.31
! peak number c 3395 F1= 4.670 F2= 0.003 null null d= 3.8
assi (( resid 110 and name HD1*
))
(( resid 77 and name HA) or ( resid 67 and name HA
))
3.8 1.80 1.80
! peak number n 198 F1= 0.751 F2= 8.999 null null d= 3.3
assi (( resid 110 and name HG11
))
(( resid 110 and name HN
))
3.3 1.36 1.36
! peak number n 197 F1= 0.653 F2= 8.998 null null d= 2.9
assi (( resid 110 and name HG12
))
(( resid 110 and name HN
))
2.9 1.05 1.05
! peak number c 3386 F1= 8.242 F2= 0.646 null null d= 4.3
assi (( resid 110 and name HG12
))
(( resid 111 and name HN
))
4.3 2.31 2.31
! peak number c 2876 F1= 0.618 F2= 0.926 null null d= 3.0
assi (( resid 110 and name HG12
))
(( resid 68 and name HG2*
))
3 1.12 1.12
! peak number c 2746 F1= 8.231 F2= 0.629 null null d= 3.5
assi (( resid 110 and name HG2*
))
(( resid 111 and name HN
))
3.5 1.53 1.53
! peak number c 2749 F1= 5.101 F2= 0.629 null null d= 3.6
assi (( resid 110 and name HG2*
))
(( resid 25 and name HA
))
3.6 1.62 1.62
! peak number c 1190 F1= 0.621 F2= 7.165 null null d= 3.2
assi (( resid 110 and name HG2*
))
(( resid 25 and name HD*
))
3.2 1.32 1.32
! peak number c 2748 F1= 6.558 F2= 0.618 null null d= 3.9
assi (( resid 110 and name HG2*
))
(( resid 25 and name HE*
))
3.9 1.90 1.90
! peak number c 3716 F1= 9.585 F2= 0.625 null null d= 4.2
assi (( resid 110 and name HG2*
))
(( resid 26 and name HN
))
4.2 2.15 2.15
! peak number c 2198 F1= 0.622 F2= 2.251 null null d= 4.2
assi (( resid 110 and name HG2*) or ( resid 110 and name HG12
))
(( resid 23 and name HB1
))
4.2 2.21 2.21
! peak number c 2199 F1= 0.615 F2= 2.498 null null d= 4.5
assi (( resid 110 and name HG2*) or ( resid 110 and name HG12
))
(( resid 23 and name HB2
))
4.5 2.53 2.53
! peak number c 3763 F1= 8.972 F2= 0.932 null null d= 3.6
assi (( resid 110 and name HN
))
(( resid 68 and name HG2*
))
3.6 1.62 1.62
! peak number n 204 F1= 5.013 F2= 9.008 null null d= 3.9
assi (( resid 110 and name HN
))
(( resid 69 and name HA
))
3.9 0.97 0.97
! peak number n 200 F1= 4.609 F2= 8.989 null null d= 3.8
assi (( resid 110 and name HN
))
(( resid 70 and name HA) or ( resid 108 and name HA
))
3.8 1.80 1.80
! peak number n 196 F1= 0.445 F2= 8.997 null null d= 4.1
assi (( resid 110 and name HN
))
(( resid 95 and name HG2*) or ( resid 95 and name HD1*) or ( resid 69 and name HB*
))
4.09 2.10 2.10
! peak number c 3140 F1= 5.348 F2= 1.452 null null d= 4.4
assi (( resid 111 and name HA
))
(( resid 111 and name HB1
))
4.4 2.42 2.42
! peak number c 3139 F1= 5.342 F2= 1.550 null null d= 5.2
assi (( resid 111 and name HA
))
(( resid 111 and name HB2
))
5.2 3.32 3.32
! peak number c 3422 F1= 5.363 F2= 0.465 null null d= 3.7
assi (( resid 111 and name HA
))
(( resid 111 and name HD1*
))
3.7 1.71 1.71
! peak number c 3439 F1= 5.367 F2= 0.673 null null d= 3.7
assi (( resid 111 and name HA
))
(( resid 111 and name HD2*
))
3.7 1.67 1.67
! peak number c 3404 F1= 5.361 F2= 1.435 null null d= 4.8
assi (( resid 111 and name HA
))
(( resid 111 and name HG
))
4.8 2.88 2.88
! peak number n 712 F1= 5.384 F2= 9.023 null null d= 3.1
assi (( resid 111 and name HA
))
(( resid 112 and name HN
))
3.1 0.78 0.78
! peak number c 445 F1= 2.259 F2= 5.367 null null d= 4.9
assi (( resid 111 and name HA
))
(( resid 23 and name HB1) or ( resid 115 and name HB2
))
4.9 3.00 3.00
! peak number c 448 F1= 0.469 F2= 5.365 null null d= 4.0
assi (( resid 111 and name HA
))
(( resid 61 and name HG1*) or ( resid 111 and name HD1*
))
4 2.00 2.00
! peak number c 277 F1= 5.366 F2= 4.666 null null d= 5.1
assi (( resid 111 and name HA
))
(( resid 67 and name HA
))
5.09 1.26 1.26
! peak number n 579 F1= 5.387 F2= 8.850 null null d= 4.0
assi (( resid 111 and name HA
))
(( resid 68 and name HN
))
4 1.00 1.00
! peak number c 3416 F1= 1.480 F2= 0.467 null null d= 2.5
assi (( resid 111 and name HB1
))
(( resid 111 and name HD1*
))
2.5 0.78 0.78
! peak number c 3433 F1= 1.477 F2= 0.675 null null d= 3.2
assi (( resid 111 and name HB1
))
(( resid 111 and name HD2*
))
3.2 1.28 1.28
! peak number n 494 F1= 1.482 F2= 8.232 null null d= 3.6
assi (( resid 111 and name HB1
))
(( resid 111 and name HN
))
3.6 1.62 1.62
! peak number n 717 F1= 1.471 F2= 9.015 null null d= 3.5
assi (( resid 111 and name HB1
))
(( resid 112 and name HN
))
3.5 1.53 1.53
! peak number c 2870 F1= 1.498 F2= 0.470 null null d= 3.6
assi (( resid 111 and name HB1
))
(( resid 67 and name HG2*
))
3.6 1.62 1.62
! peak number n 719 F1= 1.551 F2= 9.010 null null d= 3.9
assi (( resid 111 and name HB2
))
(( resid 112 and name HN
))
3.9 1.90 1.90
! peak number c 3414 F1= 0.674 F2= 0.472 null null d= 2.4
assi (( resid 111 and name HD1*
))
(( resid 111 and name HD2*
))
2.4 0.72 0.72
! peak number c 3406 F1= 0.462 F2= 1.439 null null d= 2.6
assi (( resid 111 and name HD1*
))
(( resid 111 and name HG
))
2.6 0.85 0.85
! peak number c 3425 F1= 8.222 F2= 0.463 null null d= 3.8
assi (( resid 111 and name HD1*
))
(( resid 111 and name HN
))
3.8 1.80 1.80
! peak number c 3427 F1= 2.866 F2= 0.463 null null d= 3.3
assi (( resid 111 and name HD1*
))
(( resid 116 and name HA1
))
3.3 1.36 1.36
! peak number c 3419 F1= 3.251 F2= 0.468 null null d= 3.3
assi (( resid 111 and name HD1*
))
(( resid 116 and name HA2
))
3.3 1.36 1.36
! peak number c 3426 F1= 9.162 F2= 0.469 null null d= 3.6
assi (( resid 111 and name HD1*
))
(( resid 116 and name HN
))
3.6 1.62 1.62
! peak number c 2115 F1= 0.442 F2= 1.869 null null d= 3.9
assi (( resid 111 and name HD1*
))
(( resid 15 and name HB
))
3.9 1.90 1.90
! peak number c 2127 F1= 0.470 F2= 0.806 null null d= 2.5
assi (( resid 111 and name HD1*
))
(( resid 15 and name HG2*) or ( resid 15 and name HG1*
))
2.5 0.81 0.81
! peak number c 3415 F1= 1.136 F2= 0.485 null null d= 2.8
assi (( resid 111 and name HD1*
))
(( resid 17 and name HG1
))
2.8 0.98 0.98
! peak number c 3420 F1= 4.626 F2= 0.476 null null d= 4.5
assi (( resid 111 and name HD1*
))
(( resid 23 and name HA
))
4.5 2.53 2.53
! peak number c 3428 F1= 2.543 F2= 0.471 null null d= 4.2
assi (( resid 111 and name HD1*
))
(( resid 24 and name HB1
))
4.2 2.21 2.21
! peak number c 3418 F1= 3.000 F2= 0.469 null null d= 3.4
assi (( resid 111 and name HD1*
))
(( resid 24 and name HB2
))
3.4 1.44 1.44
! peak number c 3424 F1= 7.099 F2= 0.477 null null d= 3.2
assi (( resid 111 and name HD1*
))
(( resid 24 and name HD*
))
3.2 1.28 1.28
! peak number c 3423 F1= 7.278 F2= 0.463 null null d= 3.6
assi (( resid 111 and name HD1*
))
(( resid 24 and name HE*
))
3.6 1.62 1.62
! peak number c 2711 F1= 0.488 F2= 1.798 null null d= 3.3
assi (( resid 111 and name HD1*
))
(( resid 60 and name HB1
))
3.3 1.36 1.36
! peak number c 2710 F1= 0.484 F2= 1.959 null null d= 3.3
assi (( resid 111 and name HD1*
))
(( resid 60 and name HB2
))
3.3 1.36 1.36
! peak number c 2722 F1= 0.458 F2= 1.087 null null d= 4.3
assi (( resid 111 and name HD1*
))
(( resid 60 and name HG*
))
4.3 2.31 2.31
! peak number n 493 F1= 0.662 F2= 8.237 null null d= 3.0
assi (( resid 111 and name HD2*
))
(( resid 111 and name HN
))
3 1.12 1.12
! peak number c 3435 F1= 2.285 F2= 0.674 null null d= 3.2
assi (( resid 111 and name HD2*
))
(( resid 115 and name HB2
))
3.2 1.28 1.28
! peak number c 3723 F1= 2.840 F2= 0.679 null null d= 5.1
assi (( resid 111 and name HD2*
))
(( resid 116 and name HA1
))
5.09 3.25 3.25
! peak number c 3724 F1= 3.233 F2= 0.665 null null d= 4.6
assi (( resid 111 and name HD2*
))
(( resid 116 and name HA2
))
4.59 2.64 2.64
! peak number c 3442 F1= 9.164 F2= 0.675 null null d= 3.8
assi (( resid 111 and name HD2*
))
(( resid 116 and name HN
))
3.8 1.80 1.80
! peak number c 3588 F1= 0.666 F2= 1.353 null null d= 3.5
assi (( resid 111 and name HD2*
))
(( resid 125 and name HB2
))
3.5 1.53 1.53
! peak number c 3431 F1= 0.248 F2= 0.671 null null d= 3.1
assi (( resid 111 and name HD2*
))
(( resid 125 and name HD2*
))
3.1 1.20 1.20
! peak number c 3789 F1= 0.670 F2= 1.246 null null d= 3.6
assi (( resid 111 and name HD2*
))
(( resid 125 and name HG
))
3.6 1.62 1.62
! peak number c 3436 F1= 1.864 F2= 0.676 null null d= 3.3
assi (( resid 111 and name HD2*
))
(( resid 15 and name HB
))
3.3 1.36 1.36
! peak number c 2171 F1= 0.696 F2= 2.727 null null d= 3.5
assi (( resid 111 and name HD2*
))
(( resid 17 and name HE1
))
3.5 1.53 1.53
! peak number c 1134 F1= 0.688 F2= 7.145 null null d= 4.2
assi (( resid 111 and name HD2*
))
(( resid 24 and name HD*
))
4.2 2.21 2.21
! peak number c 3438 F1= 4.661 F2= 0.680 null null d= 3.1
assi (( resid 111 and name HD2*
))
(( resid 60 and name HA
))
3.1 1.20 1.20
! peak number c 2712 F1= 0.667 F2= 1.797 null null d= 4.1
assi (( resid 111 and name HD2*
))
(( resid 60 and name HB1
))
4.09 2.10 2.10
! peak number c 2709 F1= 0.687 F2= 1.972 null null d= 4.3
assi (( resid 111 and name HD2*
))
(( resid 60 and name HB2
))
4.3 2.31 2.31
! peak number c 3434 F1= 1.080 F2= 0.671 null null d= 3.1
assi (( resid 111 and name HD2*
))
(( resid 60 and name HG*
))
3.1 1.20 1.20
! peak number c 3437 F1= 3.886 F2= 0.668 null null d= 4.1
assi (( resid 111 and name HD2*
))
(( resid 61 and name HA
))
4.09 2.10 2.10
! peak number c 3432 F1= 0.475 F2= 0.674 null null d= 2.4
assi (( resid 111 and name HD2*
))
(( resid 61 and name HG1*) or ( resid 111 and name HD1*
))
2.4 0.72 0.72
! peak number c 3441 F1= 8.998 F2= 0.684 null null d= 3.7
assi (( resid 111 and name HD2*
))
(( resid 61 and name HN) or ( resid 112 and name HN
))
3.7 1.71 1.71
! peak number c 275 F1= 0.686 F2= 4.681 null null d= 3.9
assi (( resid 111 and name HD2*
))
(( resid 67 and name HA
))
3.9 1.90 1.90
! peak number c 3440 F1= 8.835 F2= 0.676 null null d= 3.8
assi (( resid 111 and name HD2*
))
(( resid 68 and name HN
))
3.8 1.80 1.80
! peak number n 582 F1= 0.710 F2= 8.850 null null d= 4.0
assi (( resid 111 and name HD2*) or ( resid 109 and name HG2*
))
(( resid 68 and name HN
))
4 2.00 2.00
! peak number c 3410 F1= 8.241 F2= 1.448 null null d= 4.8
assi (( resid 111 and name HG
))
(( resid 111 and name HN
))
4.8 2.88 2.88
! peak number c 2126 F1= 1.467 F2= 0.813 null null d= 2.8
assi (( resid 111 and name HG
))
(( resid 15 and name HG2*) or ( resid 15 and name HG1*
))
2.8 0.98 0.98
! peak number c 3405 F1= 2.549 F2= 1.425 null null d= 4.3
assi (( resid 111 and name HG
))
(( resid 24 and name HB1
))
4.3 2.31 2.31
! peak number n 498 F1= 7.108 F2= 8.245 null null d= 3.7
assi (( resid 111 and name HN
))
(( resid 24 and name HD*
))
3.7 1.71 1.71
! peak number n 500 F1= 9.644 F2= 8.235 null null d= 3.8
assi (( resid 111 and name HN
))
(( resid 24 and name HN
))
3.8 0.95 0.95
! peak number c 450 F1= 4.046 F2= 3.830 null null d= 3.6
assi (( resid 112 and name HA
))
(( resid 112 and name HB*
))
3.6 1.62 1.62
! peak number n 714 F1= 3.860 F2= 9.024 null null d= 3.5
assi (( resid 112 and name HA
))
(( resid 112 and name HN
))
3.5 0.88 0.88
! peak number c 3445 F1= 3.847 F2= 1.607 null null d= 3.8
assi (( resid 112 and name HA
))
(( resid 113 and name HB*
))
3.8 1.80 1.80
! peak number n 1046 F1= 3.868 F2= 8.210 null null d= 3.2
assi (( resid 112 and name HA
))
(( resid 113 and name HN
))
3.2 0.80 0.80
! peak number n 1047 F1= 4.094 F2= 8.218 null null d= 3.2
assi (( resid 112 and name HB*
))
(( resid 113 and name HN
))
3.2 1.28 1.28
! peak number c 1186 F1= 4.065 F2= 6.536 null null d= 5.1
assi (( resid 112 and name HB*
))
(( resid 23 and name HE*
))
5.09 3.25 3.25
! peak number c 2880 F1= 4.035 F2= 0.931 null null d= 2.9
assi (( resid 112 and name HB*
))
(( resid 68 and name HG2*
))
2.9 1.05 1.05
! peak number n 715 F1= 2.286 F2= 9.025 null null d= 3.2
assi (( resid 112 and name HN
))
(( resid 115 and name HB2
))
3.2 1.28 1.28
! peak number n 710 F1= 9.174 F2= 9.017 null null d= 4.1
assi (( resid 112 and name HN
))
(( resid 116 and name HN
))
4.09 1.02 1.02
! peak number n 718 F1= 0.718 F2= 9.018 null null d= 4.0
assi (( resid 112 and name HN
))
(( resid 61 and name HD1*
))
4 2.00 2.00
! peak number n 586 F1= 9.026 F2= 8.845 null null d= 4.2
assi (( resid 112 and name HN) or ( resid 110 and name HN
))
(( resid 68 and name HN
))
4.2 2.21 2.21
! peak number c 3446 F1= 4.177 F2= 1.605 null null d= 3.1
assi (( resid 113 and name HA
))
(( resid 113 and name HB*
))
3.1 1.24 1.24
! peak number c 3460 F1= 4.191 F2= 0.958 null null d= 3.1
assi (( resid 113 and name HA
))
(( resid 113 and name HD1*
))
3.1 1.20 1.20
! peak number c 3471 F1= 4.205 F2= 0.867 null null d= 3.8
assi (( resid 113 and name HA
))
(( resid 113 and name HD2*
))
3.8 1.76 1.76
! peak number n 1048 F1= 4.207 F2= 8.214 null null d= 3.0
assi (( resid 113 and name HA
))
(( resid 113 and name HN
))
3 0.75 0.75
! peak number n 515 F1= 4.216 F2= 8.409 null null d= 4.1
assi (( resid 113 and name HA
))
(( resid 114 and name HN
))
4.09 1.02 1.02
! peak number n 510 F1= 1.629 F2= 8.413 null null d= 2.6
assi (( resid 113 and name HB1
))
(( resid 114 and name HN
))
2.6 0.85 0.85
! peak number c 3462 F1= 1.610 F2= 0.960 null null d= 2.4
assi (( resid 113 and name HB*
))
(( resid 113 and name HD1*
))
2.4 0.72 0.72
! peak number c 3443 F1= 0.877 F2= 1.602 null null d= 2.5
assi (( resid 113 and name HB*
))
(( resid 113 and name HD2*
))
2.5 0.81 0.81
! peak number c 3448 F1= 8.178 F2= 1.608 null null d= 3.2
assi (( resid 113 and name HB*
))
(( resid 113 and name HN
))
3.2 1.28 1.28
! peak number c 3449 F1= 8.385 F2= 1.595 null null d= 3.3
assi (( resid 113 and name HB*
))
(( resid 114 and name HN
))
3.3 1.36 1.36
! peak number c 3447 F1= 3.001 F2= 1.611 null null d= 4.3
assi (( resid 113 and name HB*
))
(( resid 117 and name HB2
))
4.3 2.31 2.31
! peak number c 3837 F1= 1.915 F2= 1.622 null null d= 3.8
assi (( resid 113 and name HB*
))
(( resid 120 and name HB2
))
3.8 1.80 1.80
! peak number c 3836 F1= 7.236 F2= 1.610 null null d= 4.3
assi (( resid 113 and name HB*
))
(( resid 24 and name HZ
))
4.3 2.31 2.31
! peak number n 1054 F1= 1.630 F2= 8.209 null null d= 2.6
assi (( resid 113 and name HB2) or ( resid 113 and name HB1
))
(( resid 113 and name HN
))
2.6 0.85 0.85
! peak number c 3457 F1= 8.177 F2= 0.958 null null d= 3.8
assi (( resid 113 and name HD1*
))
(( resid 113 and name HN
))
3.8 1.76 1.76
! peak number c 3458 F1= 8.402 F2= 0.961 null null d= 4.6
assi (( resid 113 and name HD1*
))
(( resid 114 and name HN
))
4.59 2.64 2.64
! peak number c 3454 F1= 6.746 F2= 0.960 null null d= 4.3
assi (( resid 113 and name HD1*
))
(( resid 117 and name HD21
))
4.3 2.31 2.31
! peak number c 3456 F1= 7.647 F2= 0.960 null null d= 4.0
assi (( resid 113 and name HD1*
))
(( resid 117 and name HD22
))
4 2.00 2.00
! peak number c 3771 F1= 1.913 F2= 0.959 null null d= 4.5
assi (( resid 113 and name HD1*
))
(( resid 120 and name HB2
))
4.5 2.53 2.53
! peak number c 3459 F1= 4.763 F2= 0.960 null null d= 3.4
assi (( resid 113 and name HD1*
))
(( resid 21 and name HA) or ( resid 17 and name HA
))
3.4 1.44 1.44
! peak number c 3455 F1= 7.240 F2= 0.958 null null d= 3.1
assi (( resid 113 and name HD1*
))
(( resid 24 and name HZ
))
3.1 1.20 1.20
! peak number c 3465 F1= 8.186 F2= 0.867 null null d= 3.8
assi (( resid 113 and name HD2*
))
(( resid 113 and name HN
))
3.8 1.76 1.76
! peak number c 2846 F1= 0.886 F2= 2.255 null null d= 3.3
assi (( resid 113 and name HD2*
))
(( resid 114 and name HG*
))
3.3 1.36 1.36
! peak number c 3464 F1= 8.399 F2= 0.862 null null d= 3.8
assi (( resid 113 and name HD2*
))
(( resid 114 and name HN
))
3.8 1.80 1.80
! peak number c 3467 F1= 6.760 F2= 0.866 null null d= 4.4
assi (( resid 113 and name HD2*
))
(( resid 117 and name HD21
))
4.4 2.42 2.42
! peak number c 3470 F1= 4.762 F2= 0.863 null null d= 3.5
assi (( resid 113 and name HD2*
))
(( resid 21 and name HA
))
3.5 1.53 1.53
! peak number c 3468 F1= 2.772 F2= 0.868 null null d= 3.5
assi (( resid 113 and name HD2*
))
(( resid 21 and name HB*
))
3.5 1.53 1.53
! peak number c 3757 F1= 7.379 F2= 0.857 null null d= 4.6
assi (( resid 113 and name HD2*
))
(( resid 21 and name HD21
))
4.59 2.64 2.64
! peak number c 2507 F1= 0.851 F2= 3.603 null null d= 3.0
assi (( resid 113 and name HD2*
))
(( resid 22 and name HA1
))
3 1.16 1.16
! peak number c 3758 F1= 2.275 F2= 0.863 null null d= 4.5
assi (( resid 113 and name HD2*
))
(( resid 23 and name HB1) or ( resid 114 and name HG*
))
4.5 2.53 2.53
! peak number c 3466 F1= 7.231 F2= 0.859 null null d= 3.9
assi (( resid 113 and name HD2*
))
(( resid 24 and name HZ
))
3.9 1.90 1.90
! peak number c 26 F1= 0.871 F2= 4.646 null null d= 4.2
assi (( resid 113 and name HD2*) or ( resid 10 and name HG1*
))
(( resid 9 and name HA) or ( resid 23 and name HA
))
4.2 2.21 2.21
! peak number c 3834 F1= 8.165 F2= 1.577 null null d= 3.9
assi (( resid 113 and name HG
))
(( resid 113 and name HN
))
3.9 1.90 1.90
! peak number c 3450 F1= 8.377 F2= 1.569 null null d= 4.1
assi (( resid 113 and name HG
))
(( resid 114 and name HN
))
4.09 2.10 2.10
! peak number c 81 F1= 1.581 F2= 3.741 null null d= 5.0
assi (( resid 113 and name HG
))
(( resid 22 and name HA2
))
5 3.12 3.12
! peak number c 82 F1= 1.583 F2= 3.652 null null d= 4.6
assi (( resid 113 and name HG) or ( resid 113 and name HB*
))
(( resid 22 and name HA1
))
4.59 2.64 2.64
! peak number n 1049 F1= 8.408 F2= 8.216 null null d= 3.5
assi (( resid 113 and name HN
))
(( resid 114 and name HN
))
3.5 0.86 0.86
! peak number c 1179 F1= 8.171 F2= 6.809 null null d= 5.4 dist trop loin
! peak number c 1187 F1= 8.204 F2= 6.534 null null d= 4.9
assi (( resid 113 and name HN
))
(( resid 23 and name HE*
))
4.9 3.00 3.00
! peak number n 1057 F1= 7.269 F2= 8.218 null null d= 4.4
assi (( resid 113 and name HN
))
(( resid 24 and name HZ) or ( resid 23 and name HN
))
4.4 2.42 2.42
! peak number c 3476 F1= 4.008 F2= 1.858 null null d= 3.3
assi (( resid 114 and name HA
))
(( resid 114 and name HB1
))
3.3 1.40 1.40
! peak number c 3478 F1= 4.011 F2= 1.961 null null d= 3.2
assi (( resid 114 and name HA
))
(( resid 114 and name HB2
))
3.2 1.24 1.24
! peak number c 2841 F1= 4.006 F2= 2.254 null null d= 3.1
assi (( resid 114 and name HA
))
(( resid 114 and name HG*
))
3.1 1.20 1.20
! peak number n 514 F1= 4.034 F2= 8.410 null null d= 2.9
assi (( resid 114 and name HA
))
(( resid 114 and name HN
))
2.9 0.72 0.72
! peak number n 620 F1= 4.027 F2= 7.593 null null d= 3.7
assi (( resid 114 and name HA
))
(( resid 115 and name HN
))
3.7 0.93 0.93
! peak number c 240 F1= 4.011 F2= 4.503 null null d= 5.0
assi (( resid 114 and name HA
))
(( resid 117 and name HA
))
5 1.25 1.25
! peak number c 3506 F1= 4.001 F2= 2.838 null null d= 3.8
assi (( resid 114 and name HA
))
(( resid 117 and name HB1
))
3.8 1.80 1.80
! peak number c 3507 F1= 4.000 F2= 3.012 null null d= 3.9
assi (( resid 114 and name HA
))
(( resid 117 and name HB2
))
3.9 1.90 1.90
! peak number n 890 F1= 4.028 F2= 8.569 null null d= 3.3
assi (( resid 114 and name HA
))
(( resid 117 and name HN
))
3.3 0.82 0.82
! peak number c 3479 F1= 2.256 F2= 1.838 null null d= 3.2
assi (( resid 114 and name HB1
))
(( resid 114 and name HG*
))
3.2 1.28 1.28
! peak number c 3473 F1= 8.378 F2= 1.851 null null d= 3.0
assi (( resid 114 and name HB1
))
(( resid 114 and name HN
))
3 1.09 1.09
! peak number c 3475 F1= 7.587 F2= 1.853 null null d= 3.7
assi (( resid 114 and name HB1
))
(( resid 115 and name HN
))
3.7 1.67 1.67
! peak number c 3480 F1= 2.264 F2= 1.971 null null d= 2.4
assi (( resid 114 and name HB2
))
(( resid 114 and name HG*
))
2.4 0.72 0.72
! peak number c 3472 F1= 8.383 F2= 1.962 null null d= 2.9
assi (( resid 114 and name HB2
))
(( resid 114 and name HN
))
2.9 1.05 1.05
! peak number c 3474 F1= 7.595 F2= 1.957 null null d= 3.6
assi (( resid 114 and name HB2
))
(( resid 115 and name HN
))
3.6 1.62 1.62
! peak number n 513 F1= 2.283 F2= 8.408 null null d= 3.0
assi (( resid 114 and name HG*
))
(( resid 114 and name HN
))
3 1.12 1.12
! peak number c 2840 F1= 4.226 F2= 2.254 null null d= 3.1
assi (( resid 114 and name HG*
))
(( resid 118 and name HA
))
3.1 1.20 1.20
! peak number c 3535 F1= 2.237 F2= 3.259 null null d= 4.2
assi (( resid 114 and name HG*
))
(( resid 118 and name HD*
))
4.2 2.21 2.21
! peak number n 516 F1= 7.590 F2= 8.411 null null d= 3.2
assi (( resid 114 and name HN
))
(( resid 115 and name HN
))
3.2 0.79 0.79
! peak number c 3483 F1= 2.289 F2= 3.926 null null d= 3.2
assi (( resid 115 and name HA
))
(( resid 115 and name HB2
))
3.2 1.32 1.32
! peak number n 619 F1= 3.947 F2= 7.594 null null d= 3.2
assi (( resid 115 and name HA
))
(( resid 115 and name HN
))
3.2 0.80 0.80
! peak number c 461 F1= 1.969 F2= 3.927 null null d= 3.6
assi (( resid 115 and name HA
))
(( resid 118 and name HB2) or ( resid 115 and name HB1
))
3.6 1.62 1.62
! peak number c 3531 F1= 3.950 F2= 3.260 null null d= 4.0
assi (( resid 115 and name HA
))
(( resid 118 and name HD*
))
4 2.05 2.05
! peak number n 616 F1= 1.993 F2= 7.592 null null d= 3.2
assi (( resid 115 and name HB1
))
(( resid 115 and name HN
))
3.2 1.28 1.28
! peak number c 3643 F1= 0.614 F2= 1.978 null null d= 3.4
assi (( resid 115 and name HB1
))
(( resid 61 and name HD1*
))
3.4 1.44 1.44
! peak number n 617 F1= 2.293 F2= 7.591 null null d= 2.8
assi (( resid 115 and name HB2
))
(( resid 115 and name HN
))
2.8 0.98 0.98
! peak number n 286 F1= 2.294 F2= 9.185 null null d= 3.4
assi (( resid 115 and name HB2
))
(( resid 116 and name HN
))
3.4 1.44 1.44
! peak number c 2654 F1= 2.285 F2= 0.646 null null d= 3.3
assi (( resid 115 and name HB2
))
(( resid 61 and name HD1*
))
3.3 1.36 1.36
! peak number n 334 F1= 5.565 F2= 8.353 null null d= 3.3
assi (( resid 115 and name HE21
))
(( resid 115 and name HE22
))
3.3 1.36 1.36
! peak number c 2733 F1= 5.554 F2= 0.788 null null d= 3.4
assi (( resid 115 and name HE21
))
(( resid 61 and name HG2*
))
3.4 1.44 1.44
! peak number c 2755 F1= 5.562 F2= 2.386 null null d= 4.3
assi (( resid 115 and name HE21
))
(( resid 62 and name HB2
))
4.3 2.31 2.31
! peak number c 3935 F1= 5.565 F2= 1.902 null null d= 4.4
assi (( resid 115 and name HE21
))
(( resid 62 and name HG1
))
4.4 2.42 2.42
! peak number c 3934 F1= 5.556 F2= 1.837 null null d= 5.0
assi (( resid 115 and name HE21
))
(( resid 62 and name HG2
))
5 3.12 3.12
! peak number c 2821 F1= 5.559 F2= 3.605 null null d= 3.8
assi (( resid 115 and name HE21
))
(( resid 65 and name HB
))
3.8 1.80 1.80
! peak number c 2826 F1= 5.553 F2= 1.065 null null d= 3.2
assi (( resid 115 and name HE21
))
(( resid 65 and name HG2*
))
3.2 1.28 1.28
! peak number c 2864 F1= 5.539 F2= 0.457 null null d= 4.1
assi (( resid 115 and name HE21
))
(( resid 67 and name HG2*
))
4.09 2.10 2.10
! peak number c 2972 F1= 5.536 F2= 1.317 null null d= 3.6
assi (( resid 115 and name HE21
))
(( resid 78 and name HB*
))
3.6 1.62 1.62
! peak number c 2843 F1= 8.379 F2= 2.251 null null d= 3.1
assi (( resid 115 and name HE22
))
(( resid 66 and name HG1
))
3.1 1.20 1.20
! peak number c 2852 F1= 8.366 F2= 0.302 null null d= 3.4
assi (( resid 115 and name HE22
))
(( resid 67 and name HG1*
))
3.4 1.44 1.44
! peak number c 2973 F1= 8.343 F2= 1.315 null null d= 3.0
assi (( resid 115 and name HE22
))
(( resid 78 and name HB*
))
3 1.12 1.12
! peak number n 618 F1= 2.410 F2= 7.592 null null d= 3.6
assi (( resid 115 and name HG2
))
(( resid 115 and name HN
))
3.6 1.62 1.62
! peak number n 290 F1= 7.586 F2= 9.173 null null d= 3.5
assi (( resid 115 and name HN
))
(( resid 116 and name HN
))
3.5 0.89 0.89
! peak number c 3518 F1= 7.591 F2= 1.952 null null d= 3.7
assi (( resid 115 and name HN
))
(( resid 118 and name HG2
))
3.7 1.71 1.71
! peak number c 3481 F1= 7.604 F2= 2.255 null null d= 4.6
assi (( resid 115 and name HN) or ( resid 100 and name HE21
))
(( resid 98 and name HG*) or ( resid 114 and name HG*
))
4.59 2.64 2.64
! peak number c 3485 F1= 9.179 F2= 2.843 null null d= 3.4
assi (( resid 116 and name HA1
))
(( resid 116 and name HN
))
3.4 0.85 0.85
! peak number c 3486 F1= 8.559 F2= 2.838 null null d= 5.6 dist trop loin
! peak number c 3494 F1= 0.152 F2= 2.843 null null d= 4.8
assi (( resid 116 and name HA1
))
(( resid 56 and name HD2*
))
4.8 2.88 2.88
! peak number c 3493 F1= 0.467 F2= 2.854 null null d= 4.4
assi (( resid 116 and name HA1
))
(( resid 61 and name HG1*) or ( resid 111 and name HD1*
))
4.4 2.42 2.42
! peak number c 3484 F1= 9.160 F2= 3.227 null null d= 3.5
assi (( resid 116 and name HA2
))
(( resid 116 and name HN
))
3.5 0.88 0.88
! peak number c 3487 F1= 8.575 F2= 3.231 null null d= 4.7
assi (( resid 116 and name HA2
))
(( resid 117 and name HN
))
4.7 1.16 1.16
! peak number c 3553 F1= 3.259 F2= 0.733 null null d= 3.5
assi (( resid 116 and name HA2
))
(( resid 119 and name HD1*
))
3.5 1.53 1.53
! peak number c 3488 F1= 7.239 F2= 3.238 null null d= 3.9
assi (( resid 116 and name HA2
))
(( resid 24 and name HZ) or ( resid 118 and name HN
))
3.9 1.90 1.90
! peak number c 3495 F1= 0.135 F2= 3.235 null null d= 5.3
assi (( resid 116 and name HA2
))
(( resid 56 and name HD2*
))
5.3 3.51 3.51
! peak number c 3492 F1= 0.467 F2= 3.223 null null d= 4.2
assi (( resid 116 and name HA2
))
(( resid 61 and name HG1*
))
4.2 2.26 2.26
! peak number n 291 F1= 8.573 F2= 9.178 null null d= 3.0
assi (( resid 116 and name HN
))
(( resid 117 and name HN
))
3 0.76 0.76
! peak number n 289 F1= 7.255 F2= 9.185 null null d= 3.6
assi (( resid 116 and name HN
))
(( resid 24 and name HZ) or ( resid 118 and name HN
))
3.6 1.62 1.62
! peak number c 3505 F1= 4.484 F2= 2.843 null null d= 3.6
assi (( resid 117 and name HA
))
(( resid 117 and name HB1
))
3.6 1.62 1.62
! peak number c 3504 F1= 4.481 F2= 2.999 null null d= 3.8
assi (( resid 117 and name HA
))
(( resid 117 and name HB2
))
3.8 1.80 1.80
! peak number n 891 F1= 4.513 F2= 8.569 null null d= 2.9
assi (( resid 117 and name HA
))
(( resid 117 and name HN
))
2.9 0.72 0.72
! peak number c 475 F1= 4.480 F2= 4.225 null null d= 3.8
assi (( resid 117 and name HA
))
(( resid 118 and name HA
))
3.8 0.95 0.95
! peak number n 535 F1= 4.529 F2= 7.255 null null d= 4.0
assi (( resid 117 and name HA
))
(( resid 118 and name HN
))
4 1.00 1.00
! peak number c 480 F1= 4.489 F2= 3.592 null null d= 4.1
assi (( resid 117 and name HA
))
(( resid 120 and name HA
))
4.09 1.02 1.02
! peak number n 900 F1= 4.505 F2= 7.346 null null d= 4.0
assi (( resid 117 and name HA
))
(( resid 120 and name HN
))
4 1.00 1.00
! peak number c 3508 F1= 2.997 F2= 2.839 null null d= 2.5
assi (( resid 117 and name HB1
))
(( resid 117 and name HB2
))
2.5 0.81 0.81
! peak number c 3503 F1= 6.759 F2= 2.842 null null d= 4.5
assi (( resid 117 and name HB1
))
(( resid 117 and name HD21
))
4.5 2.53 2.53
! peak number c 3499 F1= 7.648 F2= 2.842 null null d= 3.9
assi (( resid 117 and name HB1
))
(( resid 117 and name HD22
))
3.9 1.90 1.90
! peak number c 3497 F1= 8.543 F2= 2.837 null null d= 3.4
assi (( resid 117 and name HB1
))
(( resid 117 and name HN
))
3.4 1.44 1.44
! peak number c 3500 F1= 7.257 F2= 2.836 null null d= 3.8
assi (( resid 117 and name HB1
))
(( resid 118 and name HN
))
3.8 1.76 1.76
! peak number c 3511 F1= 1.915 F2= 2.842 null null d= 4.2
assi (( resid 117 and name HB1
))
(( resid 120 and name HB2
))
4.2 2.21 2.21
! peak number c 3880 F1= 2.864 F2= 2.138 null null d= 3.9
assi (( resid 117 and name HB1
))
(( resid 121 and name HG1
))
3.9 1.90 1.90
! peak number n 887 F1= 2.876 F2= 8.569 null null d= 2.6
assi (( resid 117 and name HB1) or ( resid 116 and name HA1
))
(( resid 117 and name HN
))
2.6 0.85 0.85
! peak number c 3502 F1= 6.752 F2= 2.993 null null d= 4.5
assi (( resid 117 and name HB2
))
(( resid 117 and name HD21
))
4.5 2.53 2.53
! peak number c 3498 F1= 7.656 F2= 3.002 null null d= 3.9
assi (( resid 117 and name HB2
))
(( resid 117 and name HD22
))
3.9 1.90 1.90
! peak number c 3496 F1= 8.548 F2= 2.999 null null d= 3.0
assi (( resid 117 and name HB2
))
(( resid 117 and name HN
))
3 1.16 1.16
! peak number c 3501 F1= 7.246 F2= 3.001 null null d= 4.0
assi (( resid 117 and name HB2
))
(( resid 118 and name HN
))
4 2.05 2.05
! peak number c 3510 F1= 1.898 F2= 3.009 null null d= 4.3
assi (( resid 117 and name HB2
))
(( resid 120 and name HB2
))
4.3 2.31 2.31
! peak number n 1226 F1= 6.772 F2= 7.687 null null d= 2.6
assi (( resid 117 and name HD21
))
(( resid 117 and name HD22
))
2.6 0.85 0.85
! peak number n 892 F1= 1.998 F2= 8.569 null null d= 4.0
assi (( resid 117 and name HN
))
(( resid 118 and name HB2) or ( resid 115 and name HB1) or ( resid 114 and name HB2
))
4 2.00 2.00
! peak number n 538 F1= 8.569 F2= 7.257 null null d= 3.1
assi (( resid 117 and name HN
))
(( resid 118 and name HN
))
3.1 0.77 0.77
! peak number n 893 F1= 1.904 F2= 8.570 null null d= 3.5
assi (( resid 117 and name HN
))
(( resid 120 and name HB2) or ( resid 118 and name HG2
))
3.5 1.53 1.53
! peak number c 472 F1= 1.905 F2= 4.220 null null d= 2.9
assi (( resid 118 and name HA
))
(( resid 118 and name HB1
))
2.9 1.05 1.05
! peak number c 2833 F1= 4.204 F2= 1.971 null null d= 2.9
assi (( resid 118 and name HA
))
(( resid 118 and name HB2
))
2.9 1.05 1.05
! peak number c 3530 F1= 4.209 F2= 3.264 null null d= 3.5
assi (( resid 118 and name HA
))
(( resid 118 and name HD*
))
3.5 1.53 1.53
! peak number c 471 F1= 1.754 F2= 4.223 null null d= 3.2
assi (( resid 118 and name HA
))
(( resid 118 and name HG1
))
3.2 1.28 1.28
! peak number n 534 F1= 4.243 F2= 7.258 null null d= 2.8
assi (( resid 118 and name HA
))
(( resid 118 and name HN
))
2.8 0.70 0.70
! peak number c 3514 F1= 3.275 F2= 1.906 null null d= 3.2
assi (( resid 118 and name HB1
))
(( resid 118 and name HD*
))
3.2 1.28 1.28
! peak number c 2834 F1= 3.274 F2= 1.972 null null d= 3.1
assi (( resid 118 and name HB2
))
(( resid 118 and name HD*
))
3.1 1.20 1.20
! peak number c 2831 F1= 7.263 F2= 1.992 null null d= 3.2
assi (( resid 118 and name HB2
))
(( resid 118 and name HN
))
3.2 1.24 1.24
! peak number c 3522 F1= 3.265 F2= 1.740 null null d= 2.9
assi (( resid 118 and name HD*
))
(( resid 118 and name HG1
))
2.9 1.05 1.05
! peak number c 3533 F1= 1.948 F2= 3.262 null null d= 2.4
assi (( resid 118 and name HD*
))
(( resid 118 and name HG2
))
2.4 0.72 0.72
! peak number n 532 F1= 3.293 F2= 7.258 null null d= 3.4
assi (( resid 118 and name HD*
))
(( resid 118 and name HN
))
3.4 1.44 1.44
! peak number c 3536 F1= 0.811 F2= 3.261 null null d= 4.5
assi (( resid 118 and name HD*
))
(( resid 119 and name HD2*
))
4.5 2.53 2.53
! peak number c 3881 F1= 3.235 F2= 2.140 null null d= 4.6
assi (( resid 118 and name HD*
))
(( resid 121 and name HG1
))
4.59 2.64 2.64
! peak number c 3528 F1= 7.279 F2= 3.266 null null d= 3.3
assi (( resid 118 and name HD*
))
(( resid 122 and name HE22
))
3.3 1.36 1.36
! peak number c 3931 F1= 3.278 F2= 1.905 null null d= 3.8
assi (( resid 118 and name HD*
))
(( resid 62 and name HG1) or ( resid 118 and name HG2
))
3.8 1.80 1.80
! peak number c 479 F1= 3.243 F2= 4.669 null null d= 5.3
assi (( resid 118 and name HD*) or ( resid 116 and name HA2
))
(( resid 119 and name HA
))
5.3 3.51 3.51
! peak number c 3517 F1= 7.239 F2= 1.739 null null d= 3.0
assi (( resid 118 and name HG1
))
(( resid 118 and name HN
))
3 1.12 1.12
! peak number c 2785 F1= 7.320 F2= 1.743 null null d= 3.2
assi (( resid 118 and name HG1
))
(( resid 119 and name HN
))
3.2 1.28 1.28
! peak number c 3521 F1= 3.532 F2= 1.732 null null d= 4.2
assi (( resid 118 and name HG1
))
(( resid 120 and name HA
))
4.2 2.21 2.21
! peak number c 3516 F1= 7.241 F2= 1.937 null null d= 3.6
assi (( resid 118 and name HG2
))
(( resid 118 and name HN
))
3.6 1.62 1.62
! peak number n 541 F1= 1.940 F2= 7.377 null null d= 3.2
assi (( resid 118 and name HG2
))
(( resid 119 and name HN
))
3.2 1.28 1.28
! peak number c 3527 F1= 0.618 F2= 1.947 null null d= 3.4
assi (( resid 118 and name HG2
))
(( resid 61 and name HD1*
))
3.4 1.44 1.44
! peak number n 528 F1= 1.914 F2= 7.258 null null d= 2.7
assi (( resid 118 and name HG2) or ( resid 118 and name HB1
))
(( resid 118 and name HN
))
2.7 0.91 0.91
! peak number n 537 F1= 7.362 F2= 7.259 null null d= 2.8
assi (( resid 118 and name HN
))
(( resid 119 and name HN
))
2.8 0.70 0.70
! peak number c 3542 F1= 4.675 F2= 1.714 null null d= 4.1
assi (( resid 119 and name HA
))
(( resid 119 and name HB1
))
4.09 2.10 2.10
! peak number c 3543 F1= 4.665 F2= 1.771 null null d= 3.9
assi (( resid 119 and name HA
))
(( resid 119 and name HB2
))
3.9 1.90 1.90
! peak number c 476 F1= 0.733 F2= 4.665 null null d= 4.1
assi (( resid 119 and name HA
))
(( resid 119 and name HD1*
))
4.09 2.10 2.10
! peak number c 2478 F1= 4.674 F2= 0.836 null null d= 3.0
assi (( resid 119 and name HA
))
(( resid 119 and name HD2*
))
3 1.12 1.12
! peak number c 478 F1= 1.713 F2= 4.667 null null d= 3.2
assi (( resid 119 and name HA
))
(( resid 119 and name HG) or ( resid 119 and name HB1
))
3.2 1.28 1.28
! peak number n 546 F1= 4.685 F2= 7.377 null null d= 3.2
assi (( resid 119 and name HA
))
(( resid 119 and name HN
))
3.2 0.80 0.80
! peak number n 902 F1= 4.663 F2= 7.342 null null d= 4.0
assi (( resid 119 and name HA
))
(( resid 120 and name HN
))
4 1.00 1.00
! peak number c 1255 F1= 4.663 F2= 7.250 null null d= 4.4
assi (( resid 119 and name HA
))
(( resid 123 and name HD*
))
4.4 2.42 2.42
! peak number c 3550 F1= 1.722 F2= 0.728 null null d= 2.7
assi (( resid 119 and name HB1
))
(( resid 119 and name HD1*
))
2.7 0.91 0.91
! peak number c 3540 F1= 0.816 F2= 1.716 null null d= 3.1
assi (( resid 119 and name HB1
))
(( resid 119 and name HD2*
))
3.1 1.20 1.20
! peak number n 539 F1= 1.739 F2= 7.377 null null d= 2.9
assi (( resid 119 and name HB1
))
(( resid 119 and name HN
))
2.9 1.05 1.05
! peak number c 3545 F1= 7.294 F2= 1.702 null null d= 3.4
assi (( resid 119 and name HB1
))
(( resid 120 and name HN) or ( resid 119 and name HN
))
3.4 1.44 1.44
! peak number c 3871 F1= 1.727 F2= 2.553 null null d= 4.0
assi (( resid 119 and name HB1
))
(( resid 123 and name HB1
))
4 2.00 2.00
! peak number c 3538 F1= 0.145 F2= 1.715 null null d= 4.4
assi (( resid 119 and name HB1
))
(( resid 56 and name HD2*
))
4.4 2.42 2.42
! peak number c 3544 F1= 7.295 F2= 1.785 null null d= 3.2
assi (( resid 119 and name HB2
))
(( resid 119 and name HN
))
3.2 1.28 1.28
! peak number n 904 F1= 1.835 F2= 7.347 null null d= 2.9
assi (( resid 119 and name HB2
))
(( resid 120 and name HN
))
2.9 1.05 1.05
! peak number c 3539 F1= 0.138 F2= 1.774 null null d= 4.1
assi (( resid 119 and name HB2
))
(( resid 56 and name HD2*
))
4.09 2.10 2.10
! peak number c 3541 F1= 0.781 F2= 1.779 null null d= 3.2
assi (( resid 119 and name HB2
))
(( resid 61 and name HG2*
))
3.2 1.28 1.28
! peak number c 3552 F1= 7.285 F2= 0.733 null null d= 3.7
assi (( resid 119 and name HD1*
))
(( resid 119 and name HN
))
3.7 1.71 1.71
! peak number c 3728 F1= 3.558 F2= 0.736 null null d= 4.0
assi (( resid 119 and name HD1*
))
(( resid 120 and name HA
))
4 2.00 2.00
! peak number c 3730 F1= 0.146 F2= 0.732 null null d= 3.2
assi (( resid 119 and name HD1*
))
(( resid 56 and name HD2*
))
3.2 1.28 1.28
! peak number c 2173 F1= 0.709 F2= 2.608 null null d= 3.2
assi (( resid 119 and name HD1*
))
(( resid 59 and name HB1
))
3.2 1.28 1.28
! peak number c 3551 F1= 0.508 F2= 0.735 null null d= 2.5
assi (( resid 119 and name HD1*
))
(( resid 61 and name HG1*
))
2.5 0.78 0.78
! peak number c 3548 F1= 0.860 F2= 1.693 null null d= 2.8
assi (( resid 119 and name HD2*
))
(( resid 119 and name HG
))
2.8 0.98 0.98
! peak number c 2482 F1= 7.278 F2= 0.832 null null d= 3.3
assi (( resid 119 and name HD2*
))
(( resid 119 and name HN
))
3.3 1.40 1.40
! peak number c 1252 F1= 0.810 F2= 7.250 null null d= 3.9
assi (( resid 119 and name HD2*
))
(( resid 123 and name HD*
))
3.9 1.90 1.90
! peak number c 2481 F1= 6.821 F2= 0.828 null null d= 3.4
assi (( resid 119 and name HD2*
))
(( resid 123 and name HE*
))
3.4 1.44 1.44
! peak number c 3596 F1= 0.830 F2= 1.355 null null d= 4.3
assi (( resid 119 and name HD2*
))
(( resid 125 and name HB2
))
4.3 2.31 2.31
! peak number c 2469 F1= 0.570 F2= 0.840 null null d= 3.1
assi (( resid 119 and name HD2*
))
(( resid 56 and name HD1*
))
3.1 1.20 1.20
! peak number c 2466 F1= 0.140 F2= 0.830 null null d= 3.8
assi (( resid 119 and name HD2*
))
(( resid 56 and name HD2*
))
3.8 1.80 1.80
! peak number c 2467 F1= 0.463 F2= 0.832 null null d= 3.2
assi (( resid 119 and name HD2*
))
(( resid 61 and name HG1*
))
3.2 1.28 1.28
! peak number c 2475 F1= 3.310 F2= 0.832 null null d= 3.8
assi (( resid 119 and name HD2*
))
(( resid 62 and name HD1
))
3.8 1.80 1.80
! peak number c 3924 F1= 0.817 F2= 1.904 null null d= 3.5
assi (( resid 119 and name HD2*
))
(( resid 62 and name HG1) or ( resid 118 and name HG2
))
3.5 1.53 1.53
! peak number c 3546 F1= 7.313 F2= 1.687 null null d= 3.0
assi (( resid 119 and name HG
))
(( resid 120 and name HN) or ( resid 119 and name HN
))
3 1.12 1.12
! peak number c 3219 F1= 1.661 F2= 1.947 null null d= 2.2
assi (( resid 119 and name HG
))
(( resid 122 and name HG2
))
2.2 0.61 0.61
! peak number c 491 F1= 1.719 F2= 4.795 null null d= 5.0
assi (( resid 119 and name HG
))
(( resid 123 and name HA
))
5 3.12 3.12
! peak number c 1254 F1= 1.708 F2= 7.248 null null d= 3.0
assi (( resid 119 and name HG
))
(( resid 123 and name HD*
))
3 1.12 1.12
! peak number c 3549 F1= 0.502 F2= 1.693 null null d= 3.8
assi (( resid 119 and name HG
))
(( resid 61 and name HG1*
))
3.8 1.80 1.80
! peak number c 42 F1= 4.388 F2= 3.617 null null d= 2.5
assi (( resid 11 and name HA1
))
(( resid 11 and name HA2
))
2.5 0.62 0.62
! peak number n 502 F1= 3.631 F2= 8.920 null null d= 3.0
assi (( resid 11 and name HA1
))
(( resid 11 and name HN
))
3 0.75 0.75
! peak number n 854 F1= 3.628 F2= 7.595 null null d= 3.5
assi (( resid 11 and name HA1
))
(( resid 12 and name HN
))
3.5 0.88 0.88
! peak number n 503 F1= 4.424 F2= 8.931 null null d= 2.8
assi (( resid 11 and name HA2
))
(( resid 11 and name HN
))
2.8 0.70 0.70
! peak number n 856 F1= 4.421 F2= 7.599 null null d= 3.0
assi (( resid 11 and name HA2
))
(( resid 12 and name HN
))
3 0.75 0.75
! peak number n 506 F1= 7.601 F2= 8.930 null null d= 3.1
assi (( resid 11 and name HN
))
(( resid 12 and name HN
))
3.1 0.78 0.78
! peak number c 3558 F1= 3.554 F2= 1.758 null null d= 4.4
assi (( resid 120 and name HA
))
(( resid 120 and name HB1
))
4.4 2.42 2.42
! peak number c 3557 F1= 3.584 F2= 1.890 null null d= 3.2
assi (( resid 120 and name HA
))
(( resid 120 and name HB2
))
3.2 1.32 1.32
! peak number n 899 F1= 3.604 F2= 7.347 null null d= 3.3
assi (( resid 120 and name HA
))
(( resid 120 and name HN
))
3.3 0.82 0.82
! peak number n 1277 F1= 3.594 F2= 8.148 null null d= 5.0
assi (( resid 120 and name HA
))
(( resid 123 and name HN
))
5 1.25 1.25
! peak number c 6 F1= 3.581 F2= 3.976 null null d= 3.6
assi (( resid 120 and name HA
))
(( resid 124 and name HA1
))
3.6 0.90 0.90
! peak number n 340 F1= 3.613 F2= 8.374 null null d= 3.3
assi (( resid 120 and name HA
))
(( resid 124 and name HN
))
3.3 0.82 0.82
! peak number c 482 F1= 1.754 F2= 3.572 null null d= 3.4
assi (( resid 120 and name HA
))
(( resid 125 and name HB1
))
3.4 1.44 1.44
! peak number n 303 F1= 3.630 F2= 8.053 null null d= 3.3
assi (( resid 120 and name HA
))
(( resid 126 and name HN
))
3.3 0.82 0.82
! peak number c 483 F1= 0.546 F2= 3.580 null null d= 3.4
assi (( resid 120 and name HA
))
(( resid 56 and name HD1*
))
3.4 1.44 1.44
! peak number c 3555 F1= 7.322 F2= 1.759 null null d= 3.8
assi (( resid 120 and name HB1
))
(( resid 120 and name HN
))
3.8 1.80 1.80
! peak number n 897 F1= 1.734 F2= 7.352 null null d= 3.3
assi (( resid 120 and name HB1) or ( resid 119 and name HB1
))
(( resid 120 and name HN
))
3.3 1.36 1.36
! peak number c 3554 F1= 7.327 F2= 1.884 null null d= 2.9
assi (( resid 120 and name HB2
))
(( resid 120 and name HN
))
2.9 1.02 1.02
! peak number c 3625 F1= 1.887 F2= 0.263 null null d= 3.4
assi (( resid 120 and name HB2
))
(( resid 125 and name HD2*
))
3.4 1.44 1.44
! peak number c 3560 F1= 0.556 F2= 1.891 null null d= 3.8
assi (( resid 120 and name HB2
))
(( resid 56 and name HD1*
))
3.8 1.80 1.80
! peak number n 1276 F1= 8.664 F2= 7.350 null null d= 4.6
assi (( resid 120 and name HN
))
(( resid 121 and name HN
))
4.59 1.15 1.15
! peak number c 3562 F1= 3.824 F2= 1.965 null null d= 3.0
assi (( resid 121 and name HA
))
(( resid 121 and name HB*
))
3 1.16 1.16
! peak number c 2946 F1= 3.844 F2= 2.134 null null d= 3.0
assi (( resid 121 and name HA
))
(( resid 121 and name HG1
))
3 1.12 1.12
! peak number c 3567 F1= 3.839 F2= 2.200 null null d= 2.9
assi (( resid 121 and name HA
))
(( resid 121 and name HG2
))
2.9 1.05 1.05
! peak number c 485 F1= 2.161 F2= 3.837 null null d= 2.9
assi (( resid 121 and name HA
))
(( resid 121 and name HG*
))
2.9 1.05 1.05
! peak number n 1205 F1= 3.867 F2= 8.694 null null d= 3.3
assi (( resid 121 and name HA
))
(( resid 121 and name HN
))
3.3 0.82 0.82
! peak number n 417 F1= 3.867 F2= 7.907 null null d= 3.7
assi (( resid 121 and name HA
))
(( resid 122 and name HN
))
3.7 0.93 0.93
! peak number n 1207 F1= 1.984 F2= 8.695 null null d= 2.7
assi (( resid 121 and name HB1
))
(( resid 121 and name HN
))
2.7 0.91 0.91
! peak number c 3566 F1= 2.182 F2= 1.966 null null d= 2.3
assi (( resid 121 and name HB*
))
(( resid 121 and name HG2
))
2.29 0.66 0.66
! peak number c 3565 F1= 8.643 F2= 1.962 null null d= 3.0
assi (( resid 121 and name HB*
))
(( resid 121 and name HN
))
3 1.12 1.12
! peak number c 3564 F1= 7.901 F2= 1.960 null null d= 3.1
assi (( resid 121 and name HB*
))
(( resid 122 and name HN
))
3.1 1.20 1.20
! peak number c 507 F1= 1.944 F2= 3.911 null null d= 4.3
assi (( resid 121 and name HB*
))
(( resid 126 and name HA1
))
4.3 2.31 2.31
! peak number c 2944 F1= 8.652 F2= 2.132 null null d= 3.6
assi (( resid 121 and name HG1
))
(( resid 121 and name HN
))
3.6 1.62 1.62
! peak number c 3568 F1= 8.637 F2= 2.198 null null d= 3.6
assi (( resid 121 and name HG2
))
(( resid 121 and name HN
))
3.6 1.62 1.62
! peak number c 3838 F1= 2.178 F2= 1.621 null null d= 3.7
assi (( resid 121 and name HG2
))
(( resid 122 and name HG1
))
3.7 1.71 1.71
! peak number n 415 F1= 2.236 F2= 7.902 null null d= 4.0
assi (( resid 121 and name HG2
))
(( resid 122 and name HN
))
4 2.00 2.00
! peak number n 1203 F1= 7.904 F2= 8.694 null null d= 3.5
assi (( resid 121 and name HN
))
(( resid 122 and name HN
))
3.5 0.88 0.88
! peak number c 3578 F1= 4.083 F2= 1.374 null null d= 3.0
assi (( resid 122 and name HA
))
(( resid 122 and name HB1
))
3 1.12 1.12
! peak number c 3576 F1= 4.077 F2= 1.720 null null d= 3.0
assi (( resid 122 and name HA
))
(( resid 122 and name HB2
))
3 1.16 1.16
! peak number c 3215 F1= 4.083 F2= 1.627 null null d= 3.2
assi (( resid 122 and name HA
))
(( resid 122 and name HG1
))
3.2 1.32 1.32
! peak number c 3214 F1= 4.086 F2= 1.950 null null d= 3.1
assi (( resid 122 and name HA
))
(( resid 122 and name HG2
))
3.1 1.20 1.20
! peak number n 416 F1= 4.113 F2= 7.908 null null d= 2.7
assi (( resid 122 and name HA
))
(( resid 122 and name HN
))
2.7 0.68 0.68
! peak number n 383 F1= 4.112 F2= 8.148 null null d= 3.1
assi (( resid 122 and name HA
))
(( resid 123 and name HN
))
3.1 0.78 0.78
! peak number c 3581 F1= 1.706 F2= 1.367 null null d= 3.0
assi (( resid 122 and name HB1
))
(( resid 122 and name HB2
))
3 1.09 1.09
! peak number c 3575 F1= 6.813 F2= 1.365 null null d= 4.1
assi (( resid 122 and name HB1
))
(( resid 122 and name HE21
))
4.09 2.10 2.10
! peak number c 3217 F1= 1.389 F2= 1.623 null null d= 2.7
assi (( resid 122 and name HB1
))
(( resid 122 and name HG1
))
2.7 0.91 0.91
! peak number c 3216 F1= 1.399 F2= 1.948 null null d= 3.0
assi (( resid 122 and name HB1
))
(( resid 122 and name HG2
))
3 1.12 1.12
! peak number c 3572 F1= 7.889 F2= 1.368 null null d= 3.1
assi (( resid 122 and name HB1
))
(( resid 122 and name HN
))
3.1 1.20 1.20
! peak number c 1253 F1= 1.373 F2= 7.249 null null d= 4.3
assi (( resid 122 and name HB1
))
(( resid 123 and name HD*
))
4.3 2.37 2.37
! peak number c 1249 F1= 1.364 F2= 6.825 null null d= 3.7
assi (( resid 122 and name HB1
))
(( resid 123 and name HE*
))
3.7 1.71 1.71
! peak number c 3571 F1= 8.123 F2= 1.369 null null d= 3.5
assi (( resid 122 and name HB1
))
(( resid 123 and name HN
))
3.5 1.58 1.58
! peak number c 3574 F1= 6.795 F2= 1.737 null null d= 3.8
assi (( resid 122 and name HB2
))
(( resid 122 and name HE21
))
3.8 1.80 1.80
! peak number c 3569 F1= 7.885 F2= 1.716 null null d= 3.0
assi (( resid 122 and name HB2
))
(( resid 122 and name HN
))
3 1.09 1.09
! peak number c 3577 F1= 4.760 F2= 1.715 null null d= 4.5
assi (( resid 122 and name HB2
))
(( resid 123 and name HA
))
4.5 2.53 2.53
! peak number c 2082 F1= 7.268 F2= 1.723 null null d= 3.7
assi (( resid 122 and name HB2
))
(( resid 123 and name HD*) or ( resid 122 and name HE22
))
3.7 1.71 1.71
! peak number c 1248 F1= 1.698 F2= 6.830 null null d= 3.1
assi (( resid 122 and name HB2
))
(( resid 123 and name HE*
))
3.1 1.20 1.20
! peak number c 3570 F1= 8.116 F2= 1.715 null null d= 4.0
assi (( resid 122 and name HB2
))
(( resid 123 and name HN
))
4 2.00 2.00
! peak number n 378 F1= 1.745 F2= 8.149 null null d= 3.0
assi (( resid 122 and name HB2) or ( resid 119 and name HB1
))
(( resid 123 and name HN
))
3 1.12 1.12
! peak number n 1230 F1= 6.731 F2= 7.348 null null d= 1.9
assi (( resid 122 and name HE21
))
(( resid 122 and name HE22
))
1.9 0.48 0.48
! peak number c 3211 F1= 6.784 F2= 1.623 null null d= 3.9
assi (( resid 122 and name HE21
))
(( resid 122 and name HG1
))
3.9 1.90 1.90
! peak number c 3212 F1= 6.763 F2= 1.950 null null d= 3.9
assi (( resid 122 and name HE21
))
(( resid 122 and name HG2
))
3.9 1.90 1.90
! peak number n 1232 F1= 6.843 F2= 6.735 null null d= 3.7
assi (( resid 122 and name HE21
))
(( resid 123 and name HE*
))
3.7 1.71 1.71
! peak number c 3210 F1= 7.287 F2= 1.629 null null d= 3.4
assi (( resid 122 and name HE22
))
(( resid 122 and name HG1
))
3.4 1.40 1.40
! peak number c 3213 F1= 7.288 F2= 1.952 null null d= 3.5
assi (( resid 122 and name HE22
))
(( resid 122 and name HG2
))
3.5 1.58 1.58
! peak number n 1231 F1= 6.839 F2= 7.349 null null d= 3.3
assi (( resid 122 and name HE22
))
(( resid 123 and name HE*
))
3.3 1.36 1.36
! peak number c 3218 F1= 1.948 F2= 1.627 null null d= 2.4
assi (( resid 122 and name HG1
))
(( resid 122 and name HG2
))
2.4 0.72 0.72
! peak number c 3208 F1= 7.887 F2= 1.630 null null d= 3.8
assi (( resid 122 and name HG1
))
(( resid 122 and name HN
))
3.8 1.80 1.80
! peak number c 3209 F1= 8.120 F2= 1.630 null null d= 4.8
assi (( resid 122 and name HG1
))
(( resid 123 and name HN
))
4.8 2.88 2.88
! peak number c 3207 F1= 7.902 F2= 1.950 null null d= 3.0
assi (( resid 122 and name HG2
))
(( resid 122 and name HN
))
3 1.16 1.16
! peak number c 3206 F1= 8.135 F2= 1.954 null null d= 4.3
assi (( resid 122 and name HG2
))
(( resid 123 and name HN
))
4.3 2.31 2.31
! peak number n 418 F1= 7.250 F2= 7.909 null null d= 3.5
assi (( resid 122 and name HN
))
(( resid 123 and name HD*
))
3.5 1.53 1.53
! peak number c 1257 F1= 7.919 F2= 6.830 null null d= 4.4
assi (( resid 122 and name HN
))
(( resid 123 and name HE*
))
4.4 2.42 2.42
! peak number n 391 F1= 7.910 F2= 8.146 null null d= 2.8
assi (( resid 122 and name HN
))
(( resid 123 and name HN
))
2.8 0.71 0.71
! peak number c 2218 F1= 4.786 F2= 2.536 null null d= 4.0
assi (( resid 123 and name HA
))
(( resid 123 and name HB1
))
4 2.05 2.05
! peak number c 2217 F1= 4.794 F2= 3.117 null null d= 3.6
assi (( resid 123 and name HA
))
(( resid 123 and name HB2
))
3.6 1.62 1.62
! peak number c 1027 F1= 4.783 F2= 7.250 null null d= 3.3
assi (( resid 123 and name HA
))
(( resid 123 and name HD*
))
3.3 1.36 1.36
! peak number n 382 F1= 4.807 F2= 8.144 null null d= 2.9
assi (( resid 123 and name HA
))
(( resid 123 and name HN
))
2.9 0.72 0.72
! peak number c 2219 F1= 3.126 F2= 2.550 null null d= 3.7
assi (( resid 123 and name HB1
))
(( resid 123 and name HB2
))
3.7 1.67 1.67
! peak number c 1028 F1= 2.552 F2= 7.250 null null d= 4.0
assi (( resid 123 and name HB1
))
(( resid 123 and name HD*
))
4 2.00 2.00
! peak number c 2214 F1= 8.116 F2= 2.541 null null d= 3.8
assi (( resid 123 and name HB1
))
(( resid 123 and name HN
))
3.8 1.76 1.76
! peak number c 3870 F1= 8.364 F2= 2.534 null null d= 4.7
assi (( resid 123 and name HB1
))
(( resid 124 and name HN
))
4.7 2.76 2.76
! peak number c 1029 F1= 3.111 F2= 7.250 null null d= 3.6
assi (( resid 123 and name HB2
))
(( resid 123 and name HD*
))
3.6 1.62 1.62
! peak number c 1251 F1= 3.109 F2= 6.822 null null d= 4.1
assi (( resid 123 and name HB2
))
(( resid 123 and name HE*
))
4.09 2.10 2.10
! peak number c 2213 F1= 8.112 F2= 3.114 null null d= 3.6
assi (( resid 123 and name HB2
))
(( resid 123 and name HN
))
3.6 1.62 1.62
! peak number c 3110 F1= 3.130 F2= 2.820 null null d= 3.1
assi (( resid 123 and name HB2
))
(( resid 59 and name HB2
))
3.1 1.20 1.20
! peak number c 1024 F1= 6.823 F2= 7.249 null null d= 2.8
assi (( resid 123 and name HD*
))
(( resid 123 and name HE*
))
2.8 0.98 0.98
! peak number c 1026 F1= 8.127 F2= 7.249 null null d= 3.3
assi (( resid 123 and name HD*
))
(( resid 123 and name HN
))
3.3 1.36 1.36
! peak number c 1256 F1= 7.264 F2= 6.835 null null d= 2.5
assi (( resid 123 and name HD*) or ( resid 122 and name HE22
))
(( resid 123 and name HE*
))
2.5 0.78 0.78
! peak number c 1032 F1= 8.136 F2= 6.834 null null d= 4.2
assi (( resid 123 and name HE*
))
(( resid 123 and name HN
))
4.2 2.15 2.15
! peak number c 1050 F1= 8.352 F2= 6.826 null null d= 5.4 dist trop loin
! peak number c 1250 F1= 0.816 F2= 6.833 null null d= 3.4
assi (( resid 123 and name HE*
))
(( resid 61 and name HG2*) or ( resid 119 and name HD2*
))
3.4 1.44 1.44
! peak number c 1247 F1= 1.871 F2= 6.828 null null d= 3.6
assi (( resid 123 and name HE*
))
(( resid 62 and name HG1
))
3.6 1.67 1.67
! peak number c 3937 F1= 6.822 F2= 1.841 null null d= 4.3
assi (( resid 123 and name HE*
))
(( resid 62 and name HG2
))
4.3 2.31 2.31
! peak number n 346 F1= 8.143 F2= 8.375 null null d= 3.0
assi (( resid 123 and name HN
))
(( resid 124 and name HN
))
3 0.75 0.75
! peak number c 3583 F1= 8.353 F2= 3.960 null null d= 3.0
assi (( resid 124 and name HA1
))
(( resid 124 and name HN
))
3 0.75 0.75
! peak number n 240 F1= 3.996 F2= 8.337 null null d= 3.1
assi (( resid 124 and name HA1
))
(( resid 125 and name HN
))
3.1 0.78 0.78
! peak number c 5 F1= 0.567 F2= 3.992 null null d= 4.1
assi (( resid 124 and name HA1
))
(( resid 56 and name HD1*
))
4.09 2.10 2.10
! peak number c 9 F1= 4.638 F2= 3.986 null null d= 4.7
assi (( resid 124 and name HA1
))
(( resid 60 and name HA
))
4.7 1.18 1.18
! peak number n 342 F1= 4.512 F2= 8.373 null null d= 3.0
assi (( resid 124 and name HA2
))
(( resid 124 and name HN
))
3 0.75 0.75
! peak number n 242 F1= 4.509 F2= 8.337 null null d= 3.0
assi (( resid 124 and name HA2
))
(( resid 125 and name HN
))
3 0.75 0.75
! peak number c 498 F1= 0.550 F2= 4.499 null null d= 4.4
assi (( resid 124 and name HA2
))
(( resid 56 and name HD1*
))
4.4 2.42 2.42
! peak number c 2684 F1= 4.471 F2= 0.762 null null d= 4.0
assi (( resid 124 and name HA2
))
(( resid 57 and name HD2*
))
4 2.00 2.00
! peak number c 3691 F1= 4.503 F2= 0.256 null null d= 4.7
assi (( resid 124 and name HA2) or ( resid 117 and name HA
))
(( resid 125 and name HD2*
))
4.7 2.76 2.76
! peak number n 347 F1= 0.585 F2= 8.374 null null d= 3.4
assi (( resid 124 and name HN
))
(( resid 56 and name HD1*
))
3.4 1.44 1.44
! peak number c 504 F1= 1.731 F2= 4.181 null null d= 3.9
assi (( resid 125 and name HA
))
(( resid 125 and name HB1
))
3.9 1.90 1.90
! peak number c 3591 F1= 4.179 F2= 1.367 null null d= 3.8
assi (( resid 125 and name HA
))
(( resid 125 and name HB2
))
3.8 1.76 1.76
! peak number c 3610 F1= 4.166 F2= 0.351 null null d= 3.5
assi (( resid 125 and name HA
))
(( resid 125 and name HD1*
))
3.5 1.58 1.58
! peak number c 3622 F1= 4.157 F2= 0.256 null null d= 4.0
assi (( resid 125 and name HA
))
(( resid 125 and name HD2*
))
4 2.00 2.00
! peak number c 3601 F1= 4.169 F2= 1.233 null null d= 4.0
assi (( resid 125 and name HA
))
(( resid 125 and name HG
))
4 2.00 2.00
! peak number n 241 F1= 4.204 F2= 8.337 null null d= 3.1
assi (( resid 125 and name HA
))
(( resid 125 and name HN
))
3.1 0.78 0.78
! peak number c 3589 F1= 1.703 F2= 1.361 null null d= 2.9
assi (( resid 125 and name HB1
))
(( resid 125 and name HB2
))
2.9 1.02 1.02
! peak number c 3613 F1= 1.721 F2= 0.354 null null d= 3.6
assi (( resid 125 and name HB1
))
(( resid 125 and name HD1*
))
3.6 1.62 1.62
! peak number n 247 F1= 1.763 F2= 8.337 null null d= 3.2
assi (( resid 125 and name HB1
))
(( resid 125 and name HN
))
3.2 1.28 1.28
! peak number c 3593 F1= 8.061 F2= 1.711 null null d= 4.0
assi (( resid 125 and name HB1
))
(( resid 126 and name HN
))
4 2.00 2.00
! peak number c 3384 F1= 3.008 F2= 1.715 null null d= 4.7
assi (( resid 125 and name HB1) or ( resid 110 and name HB
))
(( resid 24 and name HB2) or ( resid 117 and name HB2
))
4.7 2.76 2.76
! peak number c 3592 F1= 4.209 F2= 1.730 null null d= 3.5
assi (( resid 125 and name HB1) or ( resid 110 and name HB
))
(( resid 26 and name HB1) or ( resid 113 and name HA
))
3.5 1.53 1.53
! peak number c 3626 F1= 1.728 F2= 0.261 null null d= 3.3
assi (( resid 125 and name HB1) or ( resid 119 and name HB1
))
(( resid 125 and name HD2*
))
3.3 1.36 1.36
! peak number n 308 F1= 1.768 F2= 8.054 null null d= 3.4
assi (( resid 125 and name HB1) or ( resid 120 and name HB1
))
(( resid 126 and name HN
))
3.4 1.44 1.44
! peak number c 3587 F1= 0.291 F2= 1.351 null null d= 3.1
assi (( resid 125 and name HB2
))
(( resid 125 and name HD2*
))
3.1 1.24 1.24
! peak number c 3597 F1= 1.246 F2= 1.351 null null d= 3.3
assi (( resid 125 and name HB2
))
(( resid 125 and name HG
))
3.3 1.36 1.36
! peak number c 3595 F1= 8.336 F2= 1.357 null null d= 3.3
assi (( resid 125 and name HB2
))
(( resid 125 and name HN
))
3.3 1.40 1.40
! peak number c 3594 F1= 8.052 F2= 1.353 null null d= 4.2
assi (( resid 125 and name HB2
))
(( resid 126 and name HN
))
4.2 2.26 2.26
! peak number c 3803 F1= 4.291 F2= 1.369 null null d= 4.3
assi (( resid 125 and name HB2
))
(( resid 58 and name HA
))
4.3 2.31 2.31
! peak number c 3604 F1= 0.350 F2= 1.258 null null d= 3.1
assi (( resid 125 and name HD1*
))
(( resid 125 and name HG
))
3.1 1.20 1.20
! peak number c 3605 F1= 8.320 F2= 0.354 null null d= 4.5
assi (( resid 125 and name HD1*
))
(( resid 125 and name HN
))
4.5 2.53 2.53
! peak number c 3606 F1= 8.033 F2= 0.354 null null d= 4.4
assi (( resid 125 and name HD1*
))
(( resid 126 and name HN
))
4.4 2.42 2.42
! peak number c 3607 F1= 7.233 F2= 0.355 null null d= 3.2
assi (( resid 125 and name HD1*
))
(( resid 24 and name HZ
))
3.2 1.28 1.28
! peak number c 3608 F1= 6.846 F2= 0.353 null null d= 5.0
assi (( resid 125 and name HD1*
))
(( resid 38 and name HD*
))
5 3.12 3.12
! peak number c 3609 F1= 6.608 F2= 0.353 null null d= 3.9
assi (( resid 125 and name HD1*
))
(( resid 38 and name HE*
))
3.9 1.90 1.90
! peak number c 3611 F1= 3.795 F2= 0.349 null null d= 3.9
assi (( resid 125 and name HD1*
))
(( resid 52 and name HA1
))
3.9 1.90 1.90
! peak number c 3612 F1= 1.865 F2= 0.353 null null d= 3.7
assi (( resid 125 and name HD1*
))
(( resid 58 and name HB1) or ( resid 15 and name HB
))
3.7 1.71 1.71
! peak number c 3616 F1= 8.323 F2= 0.263 null null d= 4.2
assi (( resid 125 and name HD2*
))
(( resid 125 and name HN
))
4.2 2.21 2.21
! peak number c 3617 F1= 8.062 F2= 0.265 null null d= 5.7 dist trop loin
! peak number c 3618 F1= 7.214 F2= 0.260 null null d= 3.4
assi (( resid 125 and name HD2*
))
(( resid 24 and name HZ
))
3.4 1.44 1.44
! peak number c 3620 F1= 6.861 F2= 0.251 null null d= 5.2
assi (( resid 125 and name HD2*
))
(( resid 38 and name HD*
))
5.2 3.38 3.38
! peak number c 3619 F1= 6.603 F2= 0.258 null null d= 4.6
assi (( resid 125 and name HD2*
))
(( resid 38 and name HE*
))
4.59 2.64 2.64
! peak number c 3624 F1= 3.793 F2= 0.260 null null d= 4.9
assi (( resid 125 and name HD2*
))
(( resid 52 and name HA1
))
4.9 3.00 3.00
! peak number c 3621 F1= 7.522 F2= 0.265 null null d= 5.3
assi (( resid 125 and name HD2*
))
(( resid 55 and name HN
))
5.3 3.51 3.51
! peak number c 3623 F1= 4.419 F2= 0.277 null null d= 4.1
assi (( resid 125 and name HD2*
))
(( resid 57 and name HA) or ( resid 55 and name HA
))
4.09 2.10 2.10
! peak number c 2687 F1= 0.255 F2= 0.773 null null d= 3.3
assi (( resid 125 and name HD2*
))
(( resid 57 and name HD2*
))
3.3 1.36 1.36
! peak number c 3628 F1= 0.640 F2= 0.262 null null d= 2.4
assi (( resid 125 and name HD2*
))
(( resid 61 and name HD1*
))
2.4 0.72 0.72
! peak number c 2744 F1= 0.257 F2= 0.791 null null d= 3.4
assi (( resid 125 and name HD2*
))
(( resid 61 and name HG2*
))
3.4 1.44 1.44
! peak number c 3603 F1= 8.322 F2= 1.233 null null d= 4.3
assi (( resid 125 and name HG
))
(( resid 125 and name HN
))
4.3 2.37 2.37
! peak number c 3036 F1= 1.228 F2= 1.896 null null d= 3.3
assi (( resid 125 and name HG) or ( resid 101 and name HB1
))
(( resid 96 and name HB2) or ( resid 15 and name HB
))
3.3 1.36 1.36
! peak number n 244 F1= 8.056 F2= 8.337 null null d= 3.6
assi (( resid 125 and name HN
))
(( resid 126 and name HN
))
3.6 0.90 0.90
! peak number n 248 F1= 0.584 F2= 8.341 null null d= 3.6
assi (( resid 125 and name HN
))
(( resid 56 and name HD1*
))
3.6 1.62 1.62
! peak number c 3884 F1= 8.327 F2= 0.764 null null d= 4.8
assi (( resid 125 and name HN
))
(( resid 57 and name HD2*
))
4.8 2.88 2.88
! peak number c 3629 F1= 3.884 F2= 4.139 null null d= 3.0
assi (( resid 126 and name HA1
))
(( resid 126 and name HA2
))
3 0.76 0.76
! peak number c 3632 F1= 8.039 F2= 3.902 null null d= 3.1
assi (( resid 126 and name HA1
))
(( resid 126 and name HN
))
3.1 0.79 0.79
! peak number c 3646 F1= 3.903 F2= 3.599 null null d= 3.0
assi (( resid 126 and name HA1
))
(( resid 127 and name HD*
))
3 1.12 1.12
! peak number c 3631 F1= 8.042 F2= 4.140 null null d= 3.3
assi (( resid 126 and name HA2
))
(( resid 126 and name HN
))
3.3 0.82 0.82
! peak number c 3647 F1= 4.147 F2= 3.598 null null d= 2.9
assi (( resid 126 and name HA2
))
(( resid 127 and name HD*
))
2.9 1.05 1.05
! peak number c 508 F1= 1.952 F2= 4.158 null null d= 5.6 dist trop loin
! peak number n 910 F1= 4.184 F2= 8.260 null null d= 2.8
assi (( resid 126 and name HA2
))
(( resid 128 and name HN
))
2.8 0.70 0.70
! peak number n 305 F1= 4.193 F2= 8.054 null null d= 2.6
assi (( resid 126 and name HA2) or ( resid 125 and name HA
))
(( resid 126 and name HN
))
2.6 0.85 0.85
! peak number c 3648 F1= 8.037 F2= 3.597 null null d= 3.8
assi (( resid 126 and name HN
))
(( resid 127 and name HD*
))
3.8 1.80 1.80
! peak number n 306 F1= 4.321 F2= 8.052 null null d= 3.9
assi (( resid 126 and name HN
))
(( resid 53 and name HA
))
3.9 0.97 0.97
! peak number c 3635 F1= 4.457 F2= 1.812 null null d= 3.1
assi (( resid 127 and name HA
))
(( resid 127 and name HB1
))
3.1 1.20 1.20
! peak number c 3634 F1= 4.453 F2= 2.216 null null d= 3.0
assi (( resid 127 and name HA
))
(( resid 127 and name HB2
))
3 1.12 1.12
! peak number c 511 F1= 1.952 F2= 4.462 null null d= 3.1
assi (( resid 127 and name HA
))
(( resid 127 and name HG*
))
3.1 1.20 1.20
! peak number c 3638 F1= 2.223 F2= 1.805 null null d= 2.5
assi (( resid 127 and name HB1
))
(( resid 127 and name HB2
))
2.5 0.81 0.81
! peak number c 3637 F1= 3.601 F2= 1.809 null null d= 3.6
assi (( resid 127 and name HB1
))
(( resid 127 and name HD*
))
3.6 1.62 1.62
! peak number c 3642 F1= 8.291 F2= 1.812 null null d= 4.9
assi (( resid 127 and name HB1
))
(( resid 128 and name HN
))
4.9 3.00 3.00
! peak number c 3633 F1= 3.602 F2= 2.218 null null d= 3.5
assi (( resid 127 and name HB2
))
(( resid 127 and name HD*
))
3.5 1.53 1.53
! peak number c 3875 F1= 1.972 F2= 2.215 null null d= 2.7
assi (( resid 127 and name HB2
))
(( resid 127 and name HG*
))
2.7 0.91 0.91
! peak number c 3641 F1= 8.299 F2= 2.214 null null d= 4.4
assi (( resid 127 and name HB2
))
(( resid 128 and name HN
))
4.4 2.42 2.42
! peak number c 3644 F1= 1.971 F2= 3.602 null null d= 2.8
assi (( resid 127 and name HD*
))
(( resid 127 and name HG*
))
2.8 0.98 0.98
! peak number c 2346 F1= 1.969 F2= 3.870 null null d= 3.7
assi (( resid 127 and name HG*
))
(( resid 35 and name HA
))
3.7 1.71 1.71
! peak number c 3520 F1= 3.679 F2= 1.936 null null d= 3.2
assi (( resid 127 and name HG*
))
(( resid 36 and name HA1
))
3.2 1.28 1.28
! peak number n 435 F1= 1.969 F2= 7.962 null null d= 3.1
assi (( resid 127 and name HG*
))
(( resid 53 and name HN
))
3.1 1.20 1.20
! peak number c 3655 F1= 4.526 F2= 2.998 null null d= 3.4
assi (( resid 128 and name HA
))
(( resid 128 and name HB1
))
3.4 1.44 1.44
! peak number c 3654 F1= 4.516 F2= 3.058 null null d= 3.4
assi (( resid 128 and name HA
))
(( resid 128 and name HB2
))
3.4 1.44 1.44
! peak number c 513 F1= 3.027 F2= 4.531 null null d= 2.8
assi (( resid 128 and name HA
))
(( resid 128 and name HB*
))
2.8 0.98 0.98
! peak number c 1045 F1= 4.534 F2= 7.126 null null d= 3.6
assi (( resid 128 and name HA
))
(( resid 128 and name HD*
))
3.6 1.62 1.62
! peak number c 1048 F1= 4.528 F2= 6.826 null null d= 5.1
assi (( resid 128 and name HA
))
(( resid 128 and name HE*
))
5.09 3.25 3.25
! peak number n 215 F1= 4.552 F2= 8.072 null null d= 2.8
assi (( resid 128 and name HA
))
(( resid 129 and name HN
))
2.8 0.70 0.70
! peak number c 3653 F1= 7.120 F2= 3.007 null null d= 3.3
assi (( resid 128 and name HB1
))
(( resid 128 and name HD*
))
3.3 1.36 1.36
! peak number c 3651 F1= 8.296 F2= 3.002 null null d= 3.9
assi (( resid 128 and name HB1
))
(( resid 128 and name HN
))
3.9 1.90 1.90
! peak number n 218 F1= 3.030 F2= 8.069 null null d= 3.6
assi (( resid 128 and name HB1
))
(( resid 129 and name HN
))
3.6 1.62 1.62
! peak number c 3857 F1= 4.706 F2= 3.014 null null d= 4.4
assi (( resid 128 and name HB1
))
(( resid 51 and name HA
))
4.4 2.42 2.42
! peak number c 2623 F1= 3.018 F2= 1.011 null null d= 3.3
assi (( resid 128 and name HB1
))
(( resid 51 and name HD2*
))
3.3 1.36 1.36
! peak number c 3652 F1= 7.122 F2= 3.060 null null d= 3.5
assi (( resid 128 and name HB2
))
(( resid 128 and name HD*
))
3.5 1.53 1.53
! peak number c 3650 F1= 8.300 F2= 3.051 null null d= 4.1
assi (( resid 128 and name HB2
))
(( resid 128 and name HN
))
4.09 2.10 2.10
! peak number c 3879 F1= 3.044 F2= 2.139 null null d= 4.6
assi (( resid 128 and name HB2
))
(( resid 129 and name HG*
))
4.59 2.64 2.64
! peak number n 222 F1= 3.105 F2= 8.073 null null d= 4.4
assi (( resid 128 and name HB2
))
(( resid 129 and name HN
))
4.4 2.42 2.42
! peak number c 1243 F1= 6.816 F2= 7.127 null null d= 2.4
assi (( resid 128 and name HD*
))
(( resid 128 and name HE*
))
2.4 0.72 0.72
! peak number c 1046 F1= 8.302 F2= 7.126 null null d= 3.8
assi (( resid 128 and name HD*
))
(( resid 128 and name HN
))
3.8 1.80 1.80
! peak number c 1244 F1= 4.208 F2= 7.125 null null d= 5.0
assi (( resid 128 and name HD*
))
(( resid 129 and name HA
))
5 3.12 3.12
! peak number c 1242 F1= 8.068 F2= 7.124 null null d= 4.6
assi (( resid 128 and name HD*
))
(( resid 129 and name HN
))
4.59 2.64 2.64
! peak number c 1246 F1= 4.223 F2= 6.826 null null d= 4.3
assi (( resid 128 and name HE*
))
(( resid 129 and name HA
))
4.3 2.31 2.31
! peak number n 920 F1= 1.901 F2= 8.294 null null d= 3.5
assi (( resid 128 and name HN
))
(( resid 53 and name HB2
))
3.5 1.53 1.53
! peak number c 518 F1= 1.831 F2= 4.224 null null d= 3.1
assi (( resid 129 and name HA
))
(( resid 129 and name HB1
))
3.1 1.20 1.20
! peak number c 517 F1= 1.934 F2= 4.224 null null d= 3.1
assi (( resid 129 and name HA
))
(( resid 129 and name HB2
))
3.1 1.20 1.20
! peak number c 3661 F1= 4.217 F2= 2.156 null null d= 3.2
assi (( resid 129 and name HA
))
(( resid 129 and name HG*
))
3.2 1.24 1.24
! peak number n 214 F1= 4.252 F2= 8.072 null null d= 3.9
assi (( resid 129 and name HA
))
(( resid 129 and name HN
))
3.9 0.97 0.97
! peak number c 3513 F1= 4.204 F2= 1.910 null null d= 3.2
assi (( resid 129 and name HA) or ( resid 118 and name HA
))
(( resid 129 and name HB2) or ( resid 118 and name HB1
))
3.2 1.28 1.28
! peak number c 3659 F1= 4.213 F2= 1.942 null null d= 3.4
assi (( resid 129 and name HA) or ( resid 118 and name HA
))
(( resid 129 and name HB2) or ( resid 118 and name HB2
))
3.4 1.44 1.44
! peak number c 3660 F1= 2.157 F2= 1.840 null null d= 2.6
assi (( resid 129 and name HB1
))
(( resid 129 and name HG*
))
2.6 0.85 0.85
! peak number c 3657 F1= 8.065 F2= 1.833 null null d= 3.5
assi (( resid 129 and name HB1
))
(( resid 129 and name HN
))
3.5 1.58 1.58
! peak number c 3656 F1= 8.056 F2= 1.943 null null d= 3.7
assi (( resid 129 and name HB2
))
(( resid 129 and name HN
))
3.7 1.71 1.71
! peak number c 3662 F1= 8.058 F2= 2.156 null null d= 3.9
assi (( resid 129 and name HG*
))
(( resid 129 and name HN
))
3.9 1.85 1.85
! peak number c 2045 F1= 4.256 F2= 1.462 null null d= 3.8
assi (( resid 12 and name HA
))
(( resid 12 and name HB1
))
3.8 1.80 1.80
! peak number c 3899 F1= 4.259 F2= 1.723 null null d= 3.4
assi (( resid 12 and name HA
))
(( resid 12 and name HB2
))
3.4 1.44 1.44
! peak number c 47 F1= 1.473 F2= 4.266 null null d= 3.7
assi (( resid 12 and name HA
))
(( resid 12 and name HG) or ( resid 12 and name HB1
))
3.7 1.71 1.71
! peak number n 855 F1= 4.294 F2= 7.599 null null d= 3.0
assi (( resid 12 and name HA
))
(( resid 12 and name HN
))
3 0.75 0.75
! peak number c 43 F1= 0.685 F2= 4.256 null null d= 4.5
assi (( resid 12 and name HA
))
(( resid 14 and name HG2*
))
4.5 2.53 2.53
! peak number c 2047 F1= 1.444 F2= 1.726 null null d= 2.8
assi (( resid 12 and name HB1
))
(( resid 12 and name HB2
))
2.8 0.98 0.98
! peak number c 2041 F1= 7.581 F2= 1.468 null null d= 3.3
assi (( resid 12 and name HB1
))
(( resid 12 and name HN
))
3.3 1.36 1.36
! peak number c 2042 F1= 8.281 F2= 1.474 null null d= 4.0
assi (( resid 12 and name HB1
))
(( resid 13 and name HN
))
4 2.00 2.00
! peak number c 2068 F1= 1.725 F2= 0.542 null null d= 2.8
assi (( resid 12 and name HB2
))
(( resid 12 and name HD1*
))
2.8 0.98 0.98
! peak number c 2073 F1= 1.750 F2= 0.129 null null d= 3.0
assi (( resid 12 and name HB2
))
(( resid 12 and name HD2*
))
3 1.12 1.12
! peak number c 2040 F1= 7.578 F2= 1.720 null null d= 3.2
assi (( resid 12 and name HB2
))
(( resid 12 and name HN
))
3.2 1.28 1.28
! peak number n 96 F1= 1.769 F2= 9.366 null null d= 3.8
assi (( resid 12 and name HB2
))
(( resid 57 and name HN
))
3.8 1.80 1.80
! peak number c 3382 F1= 4.658 F2= 1.720 null null d= 4.1
assi (( resid 12 and name HB2
))
(( resid 9 and name HA
))
4.09 2.10 2.10
! peak number c 2070 F1= 0.132 F2= 0.545 null null d= 2.5
assi (( resid 12 and name HD1*
))
(( resid 12 and name HD2*
))
2.5 0.81 0.81
! peak number c 2053 F1= 0.518 F2= 1.466 null null d= 3.3
assi (( resid 12 and name HD1*
))
(( resid 12 and name HG
))
3.3 1.36 1.36
! peak number n 850 F1= 0.554 F2= 7.601 null null d= 3.5
assi (( resid 12 and name HD1*
))
(( resid 12 and name HN
))
3.5 1.53 1.53
! peak number n 1179 F1= 0.565 F2= 8.247 null null d= 4.1
assi (( resid 12 and name HD1*
))
(( resid 29 and name HN
))
4.09 2.10 2.10
! peak number c 2060 F1= 9.373 F2= 0.543 null null d= 3.5
assi (( resid 12 and name HD1*
))
(( resid 57 and name HN
))
3.5 1.53 1.53
! peak number c 3705 F1= 8.114 F2= 0.540 null null d= 4.7
assi (( resid 12 and name HD1*
))
(( resid 8 and name HN) or ( resid 59 and name HN
))
4.7 2.76 2.76
! peak number c 2016 F1= 0.555 F2= 2.677 null null d= 3.8
assi (( resid 12 and name HD1*
))
(( resid 9 and name HB1
))
3.8 1.80 1.80
! peak number c 2023 F1= 0.531 F2= 3.200 null null d= 3.6
assi (( resid 12 and name HD1*
))
(( resid 9 and name HB2
))
3.6 1.62 1.62
! peak number c 2062 F1= 7.280 F2= 0.543 null null d= 2.9
assi (( resid 12 and name HD1*
))
(( resid 9 and name HE*
))
2.9 1.05 1.05
! peak number c 2052 F1= 0.140 F2= 1.467 null null d= 3.0
assi (( resid 12 and name HD2*
))
(( resid 12 and name HG
))
3 1.16 1.16
! peak number c 2075 F1= 0.803 F2= 0.132 null null d= 2.9
assi (( resid 12 and name HD2*
))
(( resid 57 and name HD2*
))
2.9 1.05 1.05
! peak number c 3688 F1= 2.847 F2= 0.135 null null d= 4.2
assi (( resid 12 and name HD2*
))
(( resid 86 and name HE*) or ( resid 59 and name HB2
))
4.2 2.21 2.21
! peak number c 2077 F1= 3.222 F2= 0.135 null null d= 3.7
assi (( resid 12 and name HD2*
))
(( resid 9 and name HB2
))
3.7 1.71 1.71
! peak number c 2079 F1= 7.264 F2= 0.132 null null d= 3.1
assi (( resid 12 and name HD2*
))
(( resid 9 and name HE*
))
3.1 1.20 1.20
! peak number c 2059 F1= 4.007 F2= 1.478 null null d= 4.3
assi (( resid 12 and name HG
))
(( resid 124 and name HA1
))
4.3 2.31 2.31
! peak number n 851 F1= 0.691 F2= 7.601 null null d= 3.9
assi (( resid 12 and name HN
))
(( resid 14 and name HG2*
))
3.9 1.90 1.90
! peak number n 859 F1= 8.268 F2= 7.601 null null d= 3.6
assi (( resid 12 and name HN
))
(( resid 29 and name HN
))
3.6 0.90 0.90
! peak number n 857 F1= 4.646 F2= 7.596 null null d= 3.7
assi (( resid 12 and name HN
))
(( resid 9 and name HA
))
3.7 0.93 0.93
! peak number c 527 F1= 1.868 F2= 4.720 null null d= 4.0
assi (( resid 13 and name HA
))
(( resid 13 and name HB2
))
4 2.00 2.00
! peak number c 2100 F1= 4.718 F2= 0.690 null null d= 2.7
assi (( resid 13 and name HA
))
(( resid 14 and name HG2*
))
2.7 0.91 0.91
! peak number c 102 F1= 4.721 F2= 5.294 null null d= 3.7
assi (( resid 13 and name HA
))
(( resid 28 and name HA
))
3.7 0.93 0.93
! peak number c 526 F1= 1.522 F2= 4.721 null null d= 4.0
assi (( resid 13 and name HA
))
(( resid 28 and name HB1
))
4 2.00 2.00
! peak number n 919 F1= 1.758 F2= 8.292 null null d= 3.0
assi (( resid 13 and name HB1
))
(( resid 13 and name HN
))
3 1.12 1.12
! peak number n 955 F1= 1.857 F2= 8.321 null null d= 3.7
assi (( resid 13 and name HB2
))
(( resid 13 and name HN
))
3.7 1.71 1.71
! peak number c 107 F1= 1.868 F2= 5.294 null null d= 4.7
assi (( resid 13 and name HB2
))
(( resid 28 and name HA
))
4.7 2.76 2.76
! peak number c 3827 F1= 1.904 F2= 1.495 null null d= 4.9
assi (( resid 13 and name HB2
))
(( resid 28 and name HB1
))
4.9 3.00 3.00
! peak number n 950 F1= 4.473 F2= 8.324 null null d= 2.9
assi (( resid 13 and name HN
))
(( resid 57 and name HA
))
2.9 0.72 0.72
! peak number n 957 F1= 7.132 F2= 8.319 null null d= 3.8
assi (( resid 13 and name HN
))
(( resid 9 and name HD*
))
3.8 1.80 1.80
! peak number c 2085 F1= 4.943 F2= 2.290 null null d= 3.4
assi (( resid 14 and name HA
))
(( resid 14 and name HB
))
3.4 1.44 1.44
! peak number c 2093 F1= 4.952 F2= 0.363 null null d= 3.6
assi (( resid 14 and name HA
))
(( resid 14 and name HG1*
))
3.6 1.62 1.62
! peak number c 2101 F1= 4.969 F2= 0.676 null null d= 2.8
assi (( resid 14 and name HA
))
(( resid 14 and name HG2*
))
2.8 1.02 1.02
! peak number n 364 F1= 4.989 F2= 8.326 null null d= 3.4
assi (( resid 14 and name HA
))
(( resid 14 and name HN
))
3.4 0.85 0.85
! peak number c 2122 F1= 4.948 F2= 0.808 null null d= 3.1
assi (( resid 14 and name HA
))
(( resid 15 and name HG1*
))
3.1 1.20 1.20
! peak number n 427 F1= 4.973 F2= 8.607 null null d= 2.9
assi (( resid 14 and name HA
))
(( resid 15 and name HN
))
2.9 0.72 0.72
! peak number c 235 F1= 4.948 F2= 4.433 null null d= 4.0
assi (( resid 14 and name HA
))
(( resid 57 and name HA
))
4 1.00 1.00
! peak number n 673 F1= 4.967 F2= 7.406 null null d= 3.1
assi (( resid 14 and name HA
))
(( resid 58 and name HN
))
3.1 0.78 0.78
! peak number c 2083 F1= 0.375 F2= 2.291 null null d= 3.4
assi (( resid 14 and name HB
))
(( resid 14 and name HG1*
))
3.4 1.40 1.40
! peak number c 2084 F1= 0.661 F2= 2.289 null null d= 3.0
assi (( resid 14 and name HB
))
(( resid 14 and name HG2*
))
3 1.09 1.09
! peak number c 2086 F1= 8.587 F2= 2.275 null null d= 3.0
assi (( resid 14 and name HB
))
(( resid 15 and name HN
))
3 1.16 1.16
! peak number n 675 F1= 2.313 F2= 7.413 null null d= 3.8
assi (( resid 14 and name HB
))
(( resid 58 and name HN
))
3.8 1.80 1.80
! peak number c 2087 F1= 0.667 F2= 0.363 null null d= 2.4
assi (( resid 14 and name HG1*
))
(( resid 14 and name HG2*
))
2.4 0.72 0.72
! peak number c 2095 F1= 8.300 F2= 0.364 null null d= 3.0
assi (( resid 14 and name HG1*
))
(( resid 14 and name HN
))
3 1.12 1.12
! peak number c 54 F1= 0.389 F2= 5.200 null null d= 4.9
assi (( resid 14 and name HG1*
))
(( resid 15 and name HA
))
4.9 3.00 3.00
! peak number c 2096 F1= 8.583 F2= 0.364 null null d= 3.3
assi (( resid 14 and name HG1*
))
(( resid 15 and name HN
))
3.3 1.40 1.40
! peak number c 94 F1= 0.394 F2= 4.468 null null d= 4.6
assi (( resid 14 and name HG1*
))
(( resid 27 and name HA1
))
4.59 2.64 2.64
! peak number n 375 F1= 0.399 F2= 8.550 null null d= 3.5
assi (( resid 14 and name HG1*
))
(( resid 27 and name HN
))
3.5 1.53 1.53
! peak number c 2094 F1= 5.270 F2= 0.360 null null d= 3.6
assi (( resid 14 and name HG1*
))
(( resid 28 and name HA
))
3.6 1.62 1.62
! peak number c 2088 F1= 1.503 F2= 0.365 null null d= 4.0
assi (( resid 14 and name HG1*
))
(( resid 28 and name HB1
))
4 1.95 1.95
! peak number c 3817 F1= 0.373 F2= 1.436 null null d= 4.5
assi (( resid 14 and name HG1*
))
(( resid 28 and name HB2
))
4.5 2.53 2.53
! peak number n 772 F1= 0.410 F2= 8.226 null null d= 3.3
assi (( resid 14 and name HG1*
))
(( resid 28 and name HN
))
3.3 1.36 1.36
! peak number n 1180 F1= 0.407 F2= 8.249 null null d= 3.6
assi (( resid 14 and name HG1*
))
(( resid 29 and name HN
))
3.6 1.62 1.62
! peak number c 2091 F1= 4.441 F2= 0.354 null null d= 3.8
assi (( resid 14 and name HG1*
))
(( resid 55 and name HA
))
3.8 1.80 1.80
! peak number c 3695 F1= 1.864 F2= 0.365 null null d= 3.9
assi (( resid 14 and name HG1*
))
(( resid 55 and name HB
))
3.9 1.90 1.90
! peak number c 2097 F1= 9.147 F2= 0.365 null null d= 4.4
assi (( resid 14 and name HG1*
))
(( resid 56 and name HN
))
4.4 2.42 2.42
! peak number c 2090 F1= 1.615 F2= 0.365 null null d= 3.8
assi (( resid 14 and name HG1*
))
(( resid 57 and name HB2) or ( resid 41 and name HB2
))
3.8 1.80 1.80
! peak number c 2098 F1= 8.298 F2= 0.667 null null d= 3.2
assi (( resid 14 and name HG2*
))
(( resid 14 and name HN
))
3.2 1.24 1.24
! peak number c 3726 F1= 8.583 F2= 0.659 null null d= 3.0
assi (( resid 14 and name HG2*
))
(( resid 15 and name HN
))
3 1.16 1.16
! peak number c 2105 F1= 1.533 F2= 0.669 null null d= 4.0
assi (( resid 14 and name HG2*
))
(( resid 28 and name HB1
))
4 2.00 2.00
! peak number n 1178 F1= 0.690 F2= 8.247 null null d= 3.1
assi (( resid 14 and name HG2*
))
(( resid 29 and name HN
))
3.1 1.20 1.20
! peak number c 232 F1= 0.678 F2= 4.429 null null d= 2.9
assi (( resid 14 and name HG2*
))
(( resid 57 and name HA
))
2.9 1.05 1.05
! peak number c 2099 F1= 4.417 F2= 0.677 null null d= 2.8
assi (( resid 14 and name HG2*
))
(( resid 57 and name HA) or ( resid 29 and name HA
))
2.8 0.98 0.98
! peak number n 92 F1= 0.708 F2= 9.368 null null d= 3.3
assi (( resid 14 and name HG2*
))
(( resid 57 and name HN
))
3.3 1.36 1.36
! peak number n 677 F1= 0.702 F2= 7.407 null null d= 2.8
assi (( resid 14 and name HG2*
))
(( resid 58 and name HN
))
2.8 0.98 0.98
! peak number n 365 F1= 5.306 F2= 8.323 null null d= 3.0
assi (( resid 14 and name HN
))
(( resid 28 and name HA
))
3 0.75 0.75
! peak number n 361 F1= 1.556 F2= 8.322 null null d= 3.6
assi (( resid 14 and name HN
))
(( resid 28 and name HB1
))
3.6 1.62 1.62
! peak number n 362 F1= 1.908 F2= 8.324 null null d= 3.6
assi (( resid 14 and name HN
))
(( resid 58 and name HB1
))
3.6 1.62 1.62
! peak number c 2110 F1= 5.190 F2= 1.870 null null d= 3.8
assi (( resid 15 and name HA
))
(( resid 15 and name HB
))
3.8 1.80 1.80
! peak number c 2121 F1= 5.199 F2= 0.809 null null d= 3.3
assi (( resid 15 and name HA
))
(( resid 15 and name HG2*
))
3.3 1.36 1.36
! peak number n 429 F1= 5.207 F2= 8.600 null null d= 4.1
assi (( resid 15 and name HA
))
(( resid 15 and name HN
))
4.09 1.02 1.02
! peak number n 139 F1= 5.225 F2= 9.946 null null d= 2.8
assi (( resid 15 and name HA
))
(( resid 16 and name HN
))
2.8 0.70 0.70
! peak number c 57 F1= 4.960 F2= 5.198 null null d= 3.9
assi (( resid 15 and name HA
))
(( resid 26 and name HA
))
3.9 0.96 0.96
! peak number n 372 F1= 5.220 F2= 8.551 null null d= 3.6
assi (( resid 15 and name HA
))
(( resid 27 and name HN
))
3.6 0.90 0.90
! peak number c 2114 F1= 0.829 F2= 1.865 null null d= 2.7
assi (( resid 15 and name HB
))
(( resid 15 and name HG2*) or ( resid 15 and name HG1*
))
2.7 0.88 0.88
! peak number c 2108 F1= 8.589 F2= 1.864 null null d= 4.1
assi (( resid 15 and name HB
))
(( resid 15 and name HN
))
4.09 2.10 2.10
! peak number c 2107 F1= 9.931 F2= 1.864 null null d= 3.7
assi (( resid 15 and name HB
))
(( resid 16 and name HN
))
3.7 1.71 1.71
! peak number c 2109 F1= 7.109 F2= 1.862 null null d= 4.7
assi (( resid 15 and name HB
))
(( resid 24 and name HD*
))
4.7 2.76 2.76
! peak number c 2111 F1= 4.793 F2= 1.869 null null d= 4.0
assi (( resid 15 and name HB
))
(( resid 56 and name HA) or ( resid 17 and name HA
))
4 2.00 2.00
! peak number c 3949 F1= 0.567 F2= 1.866 null null d= 4.5
assi (( resid 15 and name HB
))
(( resid 56 and name HD1*) or ( resid 12 and name HD1*
))
4.5 2.53 2.53
! peak number c 3948 F1= 0.141 F2= 1.869 null null d= 4.6
assi (( resid 15 and name HB
))
(( resid 56 and name HD2*
))
4.59 2.64 2.64
! peak number c 2118 F1= 8.585 F2= 0.805 null null d= 3.2
assi (( resid 15 and name HG1*
))
(( resid 15 and name HN
))
3.2 1.32 1.32
! peak number c 3950 F1= 0.145 F2= 0.807 null null d= 3.1
assi (( resid 15 and name HG1*
))
(( resid 56 and name HD2*
))
3.1 1.20 1.20
! peak number c 2696 F1= 0.812 F2= 2.186 null null d= 3.5
assi (( resid 15 and name HG1*
))
(( resid 58 and name HB2
))
3.5 1.53 1.53
! peak number c 2119 F1= 7.384 F2= 0.802 null null d= 3.7
assi (( resid 15 and name HG1*
))
(( resid 58 and name HN
))
3.7 1.71 1.71
! peak number c 2664 F1= 0.831 F2= 0.983 null null d= 4.0
assi (( resid 15 and name HG1*) or ( resid 119 and name HD2*
))
(( resid 56 and name HB1
))
4 2.00 2.00
! peak number c 2663 F1= 0.814 F2= 1.947 null null d= 4.2
assi (( resid 15 and name HG1*) or ( resid 119 and name HD2*
))
(( resid 56 and name HB2
))
4.2 2.21 2.21
! peak number n 134 F1= 0.865 F2= 9.947 null null d= 3.1
assi (( resid 15 and name HG2*
))
(( resid 16 and name HN
))
3.1 1.20 1.20
! peak number c 204 F1= 0.837 F2= 4.606 null null d= 4.7
assi (( resid 15 and name HG2*
))
(( resid 24 and name HA
))
4.7 2.76 2.76
! peak number c 3743 F1= 2.523 F2= 0.802 null null d= 3.5
assi (( resid 15 and name HG2*
))
(( resid 24 and name HB1
))
3.5 1.53 1.53
! peak number c 2117 F1= 9.150 F2= 0.808 null null d= 3.6
assi (( resid 15 and name HG2*
))
(( resid 25 and name HN
))
3.6 1.62 1.62
! peak number c 92 F1= 0.843 F2= 4.979 null null d= 3.4
assi (( resid 15 and name HG2*
))
(( resid 26 and name HA
))
3.4 1.44 1.44
! peak number c 263 F1= 0.844 F2= 4.147 null null d= 3.9
assi (( resid 15 and name HG2*
))
(( resid 26 and name HB1
))
3.9 1.90 1.90
! peak number n 479 F1= 0.861 F2= 9.602 null null d= 3.6
assi (( resid 15 and name HG2*
))
(( resid 26 and name HN
))
3.6 1.62 1.62
! peak number n 374 F1= 0.874 F2= 8.553 null null d= 3.3
assi (( resid 15 and name HG2*
))
(( resid 27 and name HN
))
3.3 1.36 1.36
! peak number c 2120 F1= 7.091 F2= 0.808 null null d= 3.8
assi (( resid 15 and name HG2*) or ( resid 15 and name HG1*
))
(( resid 24 and name HD*
))
3.8 1.80 1.80
! peak number c 2652 F1= 8.597 F2= 0.649 null null d= 4.2
assi (( resid 15 and name HN
))
(( resid 55 and name HD1*
))
4.2 2.21 2.21
! peak number n 681 F1= 8.619 F2= 7.414 null null d= 3.7
assi (( resid 15 and name HN
))
(( resid 58 and name HN
))
3.7 0.93 0.93
! peak number c 2130 F1= 1.498 F2= 5.903 null null d= 3.6
assi (( resid 16 and name HA
))
(( resid 16 and name HB*
))
3.6 1.59 1.59
! peak number n 142 F1= 5.913 F2= 9.936 null null d= 3.8
assi (( resid 16 and name HA
))
(( resid 16 and name HN
))
3.8 0.95 0.95
! peak number c 62 F1= 4.792 F2= 5.896 null null d= 5.8 dist trop loin
! peak number c 2132 F1= 8.059 F2= 5.899 null null d= 3.5
assi (( resid 16 and name HA
))
(( resid 17 and name HN
))
3.5 0.88 0.88
! peak number c 2131 F1= 7.123 F2= 5.898 null null d= 4.5
assi (( resid 16 and name HA
))
(( resid 24 and name HD*
))
4.5 2.53 2.53
! peak number c 58 F1= 0.395 F2= 5.903 null null d= 4.7
assi (( resid 16 and name HA
))
(( resid 40 and name HD1*) or ( resid 14 and name HG1*
))
4.7 2.76 2.76
! peak number c 227 F1= 5.914 F2= 4.484 null null d= 4.6
assi (( resid 16 and name HA
))
(( resid 55 and name HA
))
4.59 1.15 1.15
! peak number c 59 F1= 0.639 F2= 5.903 null null d= 4.1
assi (( resid 16 and name HA
))
(( resid 55 and name HD1*
))
4.09 2.10 2.10
! peak number c 2133 F1= 9.929 F2= 1.490 null null d= 3.3
assi (( resid 16 and name HB*
))
(( resid 16 and name HN
))
3.3 1.36 1.36
! peak number c 2139 F1= 4.773 F2= 1.493 null null d= 4.0
assi (( resid 16 and name HB*
))
(( resid 17 and name HA
))
4 2.00 2.00
! peak number c 2135 F1= 8.066 F2= 1.488 null null d= 3.4
assi (( resid 16 and name HB*
))
(( resid 17 and name HN
))
3.4 1.40 1.40
! peak number c 3826 F1= 7.282 F2= 1.493 null null d= 4.7
assi (( resid 16 and name HB*
))
(( resid 18 and name HE3
))
4.7 2.76 2.76
! peak number c 2134 F1= 9.123 F2= 1.492 null null d= 3.9
assi (( resid 16 and name HB*
))
(( resid 25 and name HN
))
3.9 1.90 1.90
! peak number c 2140 F1= 4.493 F2= 1.486 null null d= 3.2
assi (( resid 16 and name HB*
))
(( resid 26 and name HB2
))
3.2 1.28 1.28
! peak number c 1164 F1= 1.474 F2= 7.348 null null d= 5.4 dist trop loin
! peak number c 1161 F1= 1.471 F2= 7.598 null null d= 4.4
assi (( resid 16 and name HB*
))
(( resid 42 and name HE*
))
4.4 2.42 2.42
! peak number c 1174 F1= 1.479 F2= 7.106 null null d= 3.8
assi (( resid 16 and name HB*
))
(( resid 42 and name HZ
))
3.8 1.76 1.76
! peak number c 226 F1= 1.498 F2= 4.468 null null d= 5.6 dist trop loin
! peak number c 378 F1= 1.507 F2= 5.058 null null d= 4.6
assi (( resid 16 and name HB*) or ( resid 101 and name HG2
))
(( resid 96 and name HA) or ( resid 54 and name HA
))
4.59 2.64 2.64
! peak number n 137 F1= 4.595 F2= 9.946 null null d= 3.4
assi (( resid 16 and name HN
))
(( resid 24 and name HA
))
3.4 0.85 0.85
! peak number c 1194 F1= 9.979 F2= 7.165 null null d= 5.0
assi (( resid 16 and name HN
))
(( resid 25 and name HD*
))
5 3.12 3.12
! peak number n 843 F1= 9.947 F2= 9.100 null null d= 3.7
assi (( resid 16 and name HN
))
(( resid 25 and name HN
))
3.7 0.93 0.93
! peak number n 138 F1= 4.981 F2= 9.948 null null d= 3.7
assi (( resid 16 and name HN
))
(( resid 26 and name HA
))
3.7 0.93 0.93
! peak number c 2153 F1= 4.776 F2= 0.927 null null d= 3.8
assi (( resid 17 and name HA
))
(( resid 17 and name HB1
))
3.8 1.85 1.85
! peak number c 2154 F1= 4.781 F2= 0.456 null null d= 4.4
assi (( resid 17 and name HA
))
(( resid 17 and name HB2
))
4.4 2.42 2.42
! peak number n 1216 F1= 4.775 F2= 8.098 null null d= 3.5
assi (( resid 17 and name HA
))
(( resid 17 and name HN
))
3.5 0.88 0.88
! peak number c 1138 F1= 4.746 F2= 6.454 null null d= 5.4 dist trop loin
! peak number c 1139 F1= 4.723 F2= 7.286 null null d= 6.6 dist trop loin
! peak number c 65 F1= 4.584 F2= 4.786 null null d= 3.8
assi (( resid 17 and name HA
))
(( resid 24 and name HA
))
3.8 0.95 0.95
! peak number c 2147 F1= 0.921 F2= 0.456 null null d= 3.1
assi (( resid 17 and name HB1
))
(( resid 17 and name HB2
))
3.1 1.20 1.20
! peak number c 2170 F1= 0.914 F2= 2.727 null null d= 2.9
assi (( resid 17 and name HB1
))
(( resid 17 and name HE1
))
2.9 1.05 1.05
! peak number c 2172 F1= 0.911 F2= 2.612 null null d= 2.9
assi (( resid 17 and name HB1
))
(( resid 17 and name HE2
))
2.9 1.05 1.05
! peak number c 2160 F1= 8.070 F2= 0.937 null null d= 3.6
assi (( resid 17 and name HB1
))
(( resid 17 and name HN
))
3.6 1.62 1.62
! peak number c 2193 F1= 0.908 F2= 2.764 null null d= 3.6
assi (( resid 17 and name HB1
))
(( resid 21 and name HB*
))
3.6 1.62 1.62
! peak number c 2155 F1= 7.232 F2= 0.928 null null d= 4.6
assi (( resid 17 and name HB1
))
(( resid 24 and name HZ
))
4.59 2.64 2.64
! peak number c 2161 F1= 5.040 F2= 0.925 null null d= 5.6 dist trop loin
! peak number c 2152 F1= 3.380 F2= 0.923 null null d= 4.8
assi (( resid 17 and name HB1
))
(( resid 54 and name HB2
))
4.8 2.88 2.88
! peak number c 2149 F1= 0.667 F2= 0.938 null null d= 3.4
assi (( resid 17 and name HB1
))
(( resid 55 and name HD1*
))
3.4 1.44 1.44
! peak number c 2167 F1= 0.465 F2= 2.728 null null d= 5.1
assi (( resid 17 and name HB2
))
(( resid 17 and name HE1
))
5.09 3.25 3.25
! peak number c 2174 F1= 0.467 F2= 2.608 null null d= 4.3
assi (( resid 17 and name HB2
))
(( resid 17 and name HE2
))
4.3 2.31 2.31
! peak number c 2150 F1= 1.145 F2= 0.454 null null d= 4.7
assi (( resid 17 and name HB2
))
(( resid 17 and name HG1
))
4.7 2.76 2.76
! peak number c 2157 F1= 8.080 F2= 0.461 null null d= 3.9
assi (( resid 17 and name HB2
))
(( resid 17 and name HN
))
3.9 1.90 1.90
! peak number c 3701 F1= 4.574 F2= 0.455 null null d= 4.6
assi (( resid 17 and name HB2
))
(( resid 24 and name HA
))
4.59 2.64 2.64
! peak number c 2156 F1= 7.221 F2= 0.457 null null d= 4.6
assi (( resid 17 and name HB2
))
(( resid 24 and name HZ
))
4.59 2.64 2.64
! peak number c 2162 F1= 5.060 F2= 0.446 null null d= 5.4 dist trop loin
! peak number c 2151 F1= 3.382 F2= 0.452 null null d= 4.7
assi (( resid 17 and name HB2
))
(( resid 54 and name HB2
))
4.7 2.76 2.76
! peak number c 2146 F1= 0.663 F2= 0.457 null null d= 3.1
assi (( resid 17 and name HB2
))
(( resid 55 and name HD1*
))
3.1 1.20 1.20
! peak number c 2169 F1= 1.153 F2= 2.733 null null d= 4.1
assi (( resid 17 and name HE1
))
(( resid 17 and name HG1
))
4.09 2.10 2.10
! peak number c 2177 F1= 7.227 F2= 2.726 null null d= 4.0
assi (( resid 17 and name HE1
))
(( resid 24 and name HZ
))
4 2.00 2.00
! peak number c 2168 F1= 1.139 F2= 2.609 null null d= 3.4
assi (( resid 17 and name HE2
))
(( resid 17 and name HG1
))
3.4 1.44 1.44
! peak number c 2178 F1= 7.240 F2= 2.610 null null d= 3.8
assi (( resid 17 and name HE2
))
(( resid 24 and name HZ
))
3.8 1.80 1.80
! peak number n 1214 F1= 7.106 F2= 8.092 null null d= 3.8
assi (( resid 17 and name HN
))
(( resid 42 and name HZ) or ( resid 24 and name HD*
))
3.8 1.80 1.80
! peak number n 1210 F1= 0.669 F2= 8.105 null null d= 3.6
assi (( resid 17 and name HN
))
(( resid 55 and name HD1*
))
3.6 1.62 1.62
! peak number c 68 F1= 2.973 F2= 5.005 null null d= 3.9
assi (( resid 18 and name HA
))
(( resid 18 and name HB1
))
3.9 1.90 1.90
! peak number c 67 F1= 3.679 F2= 5.001 null null d= 3.4
assi (( resid 18 and name HA
))
(( resid 18 and name HB2
))
3.4 1.44 1.44
! peak number n 576 F1= 5.033 F2= 7.788 null null d= 4.3
assi (( resid 18 and name HA
))
(( resid 19 and name HN
))
4.3 1.07 1.07
! peak number c 70 F1= 1.290 F2= 5.004 null null d= 4.6
assi (( resid 18 and name HA
))
(( resid 50 and name HG1*
))
4.59 2.64 2.64
! peak number c 69 F1= 1.099 F2= 5.005 null null d= 4.6
assi (( resid 18 and name HA
))
(( resid 50 and name HG2*
))
4.59 2.64 2.64
! peak number c 2179 F1= 3.691 F2= 2.972 null null d= 3.0
assi (( resid 18 and name HB1
))
(( resid 18 and name HB2
))
3 1.16 1.16
! peak number c 1092 F1= 2.955 F2= 6.450 null null d= 4.4
assi (( resid 18 and name HB1
))
(( resid 18 and name HD1
))
4.4 2.42 2.42
! peak number c 1096 F1= 2.973 F2= 7.294 null null d= 5.5 dist trop loin
! peak number c 1098 F1= 2.956 F2= 6.739 null null d= 5.9 dist trop loin
! peak number c 2182 F1= 1.058 F2= 2.971 null null d= 4.0
assi (( resid 18 and name HB1
))
(( resid 50 and name HG2*
))
4 2.00 2.00
! peak number c 1093 F1= 3.700 F2= 6.455 null null d= 4.9
assi (( resid 18 and name HB2
))
(( resid 18 and name HD1
))
4.9 3.00 3.00
! peak number c 1097 F1= 3.665 F2= 7.300 null null d= 6.0 dist trop loin
! peak number c 1099 F1= 3.669 F2= 6.753 null null d= 5.6 dist trop loin
! peak number c 2184 F1= 6.737 F2= 3.718 null null d= 3.8
assi (( resid 18 and name HB2
))
(( resid 18 and name HZ3) or ( resid 18 and name HH2
))
3.8 1.80 1.80
! peak number c 1091 F1= 9.157 F2= 6.453 null null d= 3.0
assi (( resid 18 and name HD1
))
(( resid 18 and name HE1
))
3 1.16 1.16
! peak number c 1136 F1= 7.122 F2= 6.453 null null d= 4.2
assi (( resid 18 and name HD1
))
(( resid 42 and name HZ
))
4.2 2.21 2.21
! peak number c 1119 F1= 9.158 F2= 6.945 null null d= 3.4
assi (( resid 18 and name HE1
))
(( resid 18 and name HZ2
))
3.4 1.44 1.44
! peak number n 21 F1= 6.574 F2= 9.159 null null d= 3.5
assi (( resid 18 and name HE1
))
(( resid 46 and name HD*
))
3.5 1.53 1.53
! peak number c 2650 F1= 9.161 F2= 0.643 null null d= 3.4
assi (( resid 18 and name HE1) or ( resid 116 and name HN
))
(( resid 61 and name HD1*) or ( resid 55 and name HD1*
))
3.4 1.44 1.44
! peak number c 1102 F1= 6.936 F2= 7.290 null null d= 5.7 dist trop loin
! peak number c 1094 F1= 6.739 F2= 7.292 null null d= 3.1
assi (( resid 18 and name HE3
))
(( resid 18 and name HZ3
))
3.1 1.20 1.20
! peak number c 1206 F1= 7.285 F2= 6.131 null null d= 4.6
assi (( resid 18 and name HE3
))
(( resid 46 and name HE*
))
4.59 2.64 2.64
! peak number c 2637 F1= 7.281 F2= 3.143 null null d= 4.0
assi (( resid 18 and name HE3
))
(( resid 53 and name HE*
))
4 2.00 2.00
! peak number c 1120 F1= 6.751 F2= 6.945 null null d= 2.9
assi (( resid 18 and name HH2
))
(( resid 18 and name HZ2
))
2.9 1.05 1.05
! peak number c 1208 F1= 6.734 F2= 6.133 null null d= 4.4
assi (( resid 18 and name HH2
))
(( resid 46 and name HE*
))
4.4 2.42 2.42
! peak number c 3123 F1= 6.739 F2= 2.045 null null d= 3.3
assi (( resid 18 and name HH2
))
(( resid 50 and name HB
))
3.3 1.36 1.36
! peak number c 1141 F1= 7.110 F2= 6.948 null null d= 5.0
assi (( resid 18 and name HZ2
))
(( resid 42 and name HZ
))
5 3.12 3.12
! peak number c 1210 F1= 6.758 F2= 6.574 null null d= 4.1
assi (( resid 18 and name HZ3) or ( resid 18 and name HH2
))
(( resid 46 and name HD*
))
4.09 2.10 2.10
! peak number c 2189 F1= 4.570 F2= 3.193 null null d= 3.6
assi (( resid 19 and name HA
))
(( resid 19 and name HB1
))
3.6 1.62 1.62
! peak number c 2187 F1= 4.583 F2= 3.515 null null d= 3.5
assi (( resid 19 and name HA
))
(( resid 19 and name HB2
))
3.5 1.58 1.58
! peak number n 575 F1= 4.624 F2= 7.791 null null d= 4.0
assi (( resid 19 and name HA
))
(( resid 19 and name HN
))
4 1.00 1.00
! peak number c 2185 F1= 3.534 F2= 3.193 null null d= 3.0
assi (( resid 19 and name HB1
))
(( resid 19 and name HB2
))
3 1.09 1.09
! peak number c 2192 F1= 7.761 F2= 3.193 null null d= 5.2
assi (( resid 19 and name HB1
))
(( resid 19 and name HN
))
5.2 3.38 3.38
! peak number c 2191 F1= 7.798 F2= 3.530 null null d= 4.5
assi (( resid 19 and name HB2
))
(( resid 19 and name HN
))
4.5 2.53 2.53
! peak number c 2194 F1= 4.785 F2= 2.769 null null d= 2.7
assi (( resid 21 and name HA
))
(( resid 21 and name HB*
))
2.7 0.91 0.91
! peak number c 2978 F1= 4.777 F2= 3.602 null null d= 3.8
assi (( resid 21 and name HA
))
(( resid 22 and name HA1
))
3.8 0.95 0.95
! peak number c 2196 F1= 7.379 F2= 2.769 null null d= 3.4
assi (( resid 21 and name HB*
))
(( resid 21 and name HD21
))
3.4 1.44 1.44
! peak number c 2195 F1= 6.823 F2= 2.765 null null d= 3.4
assi (( resid 21 and name HB*
))
(( resid 21 and name HD22
))
3.4 1.44 1.44
! peak number n 1238 F1= 6.853 F2= 7.392 null null d= 2.8
assi (( resid 21 and name HD21
))
(( resid 21 and name HD22
))
2.8 0.98 0.98
! peak number c 1183 F1= 3.661 F2= 6.532 null null d= 4.2
assi (( resid 22 and name HA1
))
(( resid 23 and name HE*
))
4.2 2.21 2.21
! peak number n 404 F1= 3.637 F2= 7.284 null null d= 3.2
assi (( resid 22 and name HA1
))
(( resid 23 and name HN
))
3.2 0.80 0.80
! peak number n 300 F1= 3.769 F2= 7.424 null null d= 3.9
assi (( resid 22 and name HA2
))
(( resid 22 and name HN
))
3.9 0.97 0.97
! peak number n 405 F1= 3.759 F2= 7.282 null null d= 3.0
assi (( resid 22 and name HA2
))
(( resid 23 and name HN
))
3 0.75 0.75
! peak number c 2203 F1= 4.619 F2= 2.251 null null d= 5.3
assi (( resid 23 and name HA
))
(( resid 23 and name HB1
))
5.3 3.51 3.51
! peak number c 200 F1= 2.512 F2= 4.625 null null d= 4.8
assi (( resid 23 and name HA
))
(( resid 23 and name HB2
))
4.8 2.88 2.88
! peak number c 1175 F1= 4.633 F2= 6.807 null null d= 5.0
assi (( resid 23 and name HA
))
(( resid 23 and name HD*
))
5 3.12 3.12
! peak number n 406 F1= 4.630 F2= 7.290 null null d= 3.2
assi (( resid 23 and name HA
))
(( resid 23 and name HN
))
3.2 0.80 0.80
! peak number c 1189 F1= 4.609 F2= 7.316 null null d= 6.5 dist trop loin
! peak number n 552 F1= 4.630 F2= 9.653 null null d= 2.9
assi (( resid 23 and name HA
))
(( resid 24 and name HN
))
2.9 0.72 0.72
! peak number c 2201 F1= 2.245 F2= 2.501 null null d= 4.3
assi (( resid 23 and name HB1
))
(( resid 23 and name HB2
))
4.3 2.31 2.31
! peak number c 1006 F1= 2.260 F2= 6.809 null null d= 4.5
assi (( resid 23 and name HB1
))
(( resid 23 and name HD*
))
4.5 2.59 2.59
! peak number c 1003 F1= 2.243 F2= 6.535 null null d= 5.0
assi (( resid 23 and name HB1
))
(( resid 23 and name HE*
))
5 3.19 3.19
! peak number n 402 F1= 2.284 F2= 7.288 null null d= 3.3
assi (( resid 23 and name HB1
))
(( resid 23 and name HN
))
3.3 1.36 1.36
! peak number n 553 F1= 2.271 F2= 9.648 null null d= 3.3
assi (( resid 23 and name HB1
))
(( resid 24 and name HN
))
3.3 1.36 1.36
! peak number c 2210 F1= 7.243 F2= 2.249 null null d= 4.3
assi (( resid 23 and name HB1
))
(( resid 24 and name HZ
))
4.3 2.31 2.31
! peak number c 1200 F1= 2.250 F2= 6.577 null null d= 5.3
assi (( resid 23 and name HB1
))
(( resid 25 and name HE*
))
5.3 3.51 3.51
! peak number c 2208 F1= 6.798 F2= 2.500 null null d= 4.4
assi (( resid 23 and name HB2
))
(( resid 23 and name HD*
))
4.4 2.42 2.42
! peak number c 3922 F1= 7.267 F2= 2.495 null null d= 3.8
assi (( resid 23 and name HB2
))
(( resid 23 and name HN
))
3.8 1.76 1.76
! peak number c 2212 F1= 9.622 F2= 2.494 null null d= 4.8
assi (( resid 23 and name HB2
))
(( resid 24 and name HN
))
4.8 2.88 2.88
! peak number c 1201 F1= 2.506 F2= 6.576 null null d= 4.4
assi (( resid 23 and name HB2
))
(( resid 25 and name HE*
))
4.4 2.42 2.42
! peak number c 2205 F1= 6.553 F2= 2.497 null null d= 4.9
assi (( resid 23 and name HB2
))
(( resid 25 and name HE*) or ( resid 23 and name HE*
))
4.9 3.00 3.00
! peak number c 1001 F1= 6.798 F2= 6.536 null null d= 2.5
assi (( resid 23 and name HD*
))
(( resid 23 and name HE*
))
2.5 0.75 0.75
! peak number c 1177 F1= 7.281 F2= 6.803 null null d= 4.0
assi (( resid 23 and name HD*
))
(( resid 23 and name HN
))
4 1.95 1.95
! peak number c 1184 F1= 3.835 F2= 6.533 null null d= 3.8
assi (( resid 23 and name HE*
))
(( resid 68 and name HB) or ( resid 112 and name HA
))
3.8 1.80 1.80
! peak number c 1182 F1= 0.926 F2= 6.536 null null d= 3.7
assi (( resid 23 and name HE*
))
(( resid 68 and name HG2*
))
3.7 1.71 1.71
! peak number n 550 F1= 7.267 F2= 9.655 null null d= 3.8
assi (( resid 23 and name HN
))
(( resid 24 and name HN
))
3.8 0.95 0.95
! peak number n 408 F1= 6.568 F2= 7.285 null null d= 3.3
assi (( resid 23 and name HN
))
(( resid 25 and name HE*) or ( resid 23 and name HE*
))
3.3 1.36 1.36
! peak number c 1191 F1= 4.559 F2= 7.167 null null d= 4.9
assi (( resid 24 and name HA
))
(( resid 25 and name HD*
))
4.9 3.00 3.00
! peak number n 837 F1= 4.593 F2= 9.099 null null d= 3.0
assi (( resid 24 and name HA
))
(( resid 25 and name HN
))
3 0.75 0.75
! peak number c 203 F1= 0.653 F2= 4.597 null null d= 4.3
assi (( resid 24 and name HA) or ( resid 23 and name HA
))
(( resid 55 and name HD1*) or ( resid 111 and name HD2*) or ( resid 110 and name HG2*) or ( resid 110 and name HG12
))
4.3 2.31 2.31
! peak number c 3951 F1= 0.554 F2= 2.552 null null d= 4.8
assi (( resid 24 and name HB1) or ( resid 123 and name HB1
))
(( resid 56 and name HD1*
))
4.8 2.88 2.88
! peak number n 554 F1= 2.555 F2= 9.647 null null d= 3.6
assi (( resid 24 and name HB1) or ( resid 23 and name HB2
))
(( resid 24 and name HN
))
3.6 1.62 1.62
! peak number c 1202 F1= 2.998 F2= 6.577 null null d= 4.5
assi (( resid 24 and name HB2
))
(( resid 25 and name HE*
))
4.5 2.53 2.53
! peak number n 551 F1= 7.106 F2= 9.653 null null d= 3.1
assi (( resid 24 and name HD*
))
(( resid 24 and name HN
))
3.1 1.20 1.20
! peak number c 2701 F1= 7.095 F2= 1.786 null null d= 3.7
assi (( resid 24 and name HD*
))
(( resid 60 and name HB1
))
3.7 1.71 1.71
! peak number c 2698 F1= 7.098 F2= 1.958 null null d= 3.7
assi (( resid 24 and name HD*
))
(( resid 60 and name HB2
))
3.7 1.71 1.71
! peak number c 2732 F1= 7.097 F2= 0.783 null null d= 4.1
assi (( resid 24 and name HD*
))
(( resid 61 and name HG2*
))
4.09 2.10 2.10
! peak number c 1132 F1= 0.292 F2= 7.145 null null d= 4.9
assi (( resid 24 and name HD*
))
(( resid 67 and name HG1*
))
4.9 3.00 3.00
! peak number c 86 F1= 3.026 F2= 5.089 null null d= 4.5
assi (( resid 25 and name HA
))
(( resid 25 and name HB1
))
4.5 2.53 2.53
! peak number c 87 F1= 3.456 F2= 5.087 null null d= 4.2
assi (( resid 25 and name HA
))
(( resid 25 and name HB2
))
4.2 2.21 2.21
! peak number c 1055 F1= 5.069 F2= 7.166 null null d= 4.0
assi (( resid 25 and name HA
))
(( resid 25 and name HD*
))
4 2.00 2.00
! peak number n 839 F1= 5.107 F2= 9.102 null null d= 3.9
assi (( resid 25 and name HA
))
(( resid 25 and name HN
))
3.9 0.97 0.97
! peak number n 476 F1= 5.103 F2= 9.604 null null d= 2.8
assi (( resid 25 and name HA
))
(( resid 26 and name HN
))
2.8 0.70 0.70
! peak number c 1056 F1= 3.025 F2= 7.166 null null d= 3.4
assi (( resid 25 and name HB1
))
(( resid 25 and name HD*
))
3.4 1.44 1.44
! peak number n 835 F1= 3.065 F2= 9.101 null null d= 3.6
assi (( resid 25 and name HB1
))
(( resid 25 and name HN
))
3.6 1.62 1.62
! peak number n 477 F1= 3.066 F2= 9.605 null null d= 3.9
assi (( resid 25 and name HB1
))
(( resid 26 and name HN
))
3.9 1.90 1.90
! peak number c 1160 F1= 3.014 F2= 7.353 null null d= 4.9
assi (( resid 25 and name HB1
))
(( resid 42 and name HD*
))
4.9 3.00 3.00
! peak number c 1159 F1= 3.015 F2= 7.600 null null d= 4.5
assi (( resid 25 and name HB1
))
(( resid 42 and name HE*
))
4.5 2.53 2.53
! peak number c 1057 F1= 3.451 F2= 7.163 null null d= 3.9
assi (( resid 25 and name HB2
))
(( resid 25 and name HD*
))
3.9 1.85 1.85
! peak number c 1052 F1= 3.450 F2= 6.568 null null d= 5.7 dist trop loin
! peak number c 2222 F1= 9.143 F2= 3.447 null null d= 4.0
assi (( resid 25 and name HB2
))
(( resid 25 and name HN
))
4 1.95 1.95
! peak number c 2221 F1= 9.608 F2= 3.444 null null d= 4.0
assi (( resid 25 and name HB2
))
(( resid 26 and name HN
))
4 2.00 2.00
! peak number c 1192 F1= 6.579 F2= 7.167 null null d= 2.8
assi (( resid 25 and name HD*
))
(( resid 25 and name HE*
))
2.8 0.95 0.95
! peak number c 1054 F1= 9.112 F2= 7.170 null null d= 3.5
assi (( resid 25 and name HD*
))
(( resid 25 and name HN
))
3.5 1.49 1.49
! peak number c 1193 F1= 9.620 F2= 7.163 null null d= 5.2
assi (( resid 25 and name HD*
))
(( resid 26 and name HN
))
5.2 3.38 3.38
! peak number c 1265 F1= 8.984 F2= 7.193 null null d= 4.6
assi (( resid 25 and name HD*) or ( resid 104 and name HD*
))
(( resid 95 and name HN) or ( resid 110 and name HN
))
4.59 2.64 2.64
! peak number c 1053 F1= 9.112 F2= 6.571 null null d= 4.8
assi (( resid 25 and name HE*
))
(( resid 25 and name HN
))
4.8 2.82 2.82
! peak number c 91 F1= 4.168 F2= 4.967 null null d= 4.2
assi (( resid 26 and name HA
))
(( resid 26 and name HB1
))
4.2 2.21 2.21
! peak number c 90 F1= 4.431 F2= 4.972 null null d= 3.9
assi (( resid 26 and name HA
))
(( resid 26 and name HB2
))
3.9 1.90 1.90
! peak number n 475 F1= 4.984 F2= 9.602 null null d= 3.7
assi (( resid 26 and name HA
))
(( resid 26 and name HN
))
3.7 0.93 0.93
! peak number n 371 F1= 4.985 F2= 8.550 null null d= 2.9
assi (( resid 26 and name HA
))
(( resid 27 and name HN
))
2.9 0.72 0.72
! peak number n 472 F1= 4.213 F2= 9.609 null null d= 3.9
assi (( resid 26 and name HB1
))
(( resid 26 and name HN
))
3.9 1.90 1.90
! peak number n 367 F1= 4.190 F2= 8.552 null null d= 3.8
assi (( resid 26 and name HB1
))
(( resid 27 and name HN
))
3.8 1.80 1.80
! peak number n 473 F1= 4.457 F2= 9.606 null null d= 3.8
assi (( resid 26 and name HB2
))
(( resid 26 and name HN
))
3.8 1.80 1.80
! peak number n 368 F1= 4.480 F2= 8.551 null null d= 3.5
assi (( resid 27 and name HA1
))
(( resid 27 and name HN
))
3.5 0.88 0.88
! peak number n 762 F1= 4.501 F2= 8.230 null null d= 3.0
assi (( resid 27 and name HA1
))
(( resid 28 and name HN
))
3 0.75 0.75
! peak number c 175 F1= 4.474 F2= 4.845 null null d= 3.9
assi (( resid 27 and name HA1
))
(( resid 42 and name HA
))
3.9 0.99 0.99
! peak number n 1137 F1= 4.488 F2= 8.785 null null d= 3.7
assi (( resid 27 and name HA1) or ( resid 26 and name HB2
))
(( resid 43 and name HN
))
3.7 1.71 1.71
! peak number n 373 F1= 3.650 F2= 8.551 null null d= 3.5
assi (( resid 27 and name HA2
))
(( resid 27 and name HN
))
3.5 0.88 0.88
! peak number c 2224 F1= 8.222 F2= 3.624 null null d= 3.4
assi (( resid 27 and name HA2
))
(( resid 28 and name HN
))
3.4 0.85 0.85
! peak number n 1136 F1= 3.646 F2= 8.789 null null d= 3.2
assi (( resid 27 and name HA2
))
(( resid 43 and name HN
))
3.2 0.80 0.80
! peak number n 370 F1= 4.859 F2= 8.550 null null d= 4.0
assi (( resid 27 and name HN
))
(( resid 42 and name HA
))
4 1.00 1.00
! peak number c 106 F1= 1.521 F2= 5.297 null null d= 3.7
assi (( resid 28 and name HA
))
(( resid 28 and name HB1
))
3.7 1.71 1.71
! peak number c 105 F1= 1.447 F2= 5.292 null null d= 3.6
assi (( resid 28 and name HA
))
(( resid 28 and name HB2
))
3.6 1.62 1.62
! peak number c 104 F1= 1.211 F2= 5.294 null null d= 3.7
assi (( resid 28 and name HA
))
(( resid 28 and name HG*
))
3.7 1.71 1.71
! peak number n 777 F1= 5.311 F2= 8.227 null null d= 3.3
assi (( resid 28 and name HA
))
(( resid 28 and name HN
))
3.3 0.82 0.82
! peak number n 1172 F1= 5.305 F2= 8.246 null null d= 2.8
assi (( resid 28 and name HA
))
(( resid 29 and name HN
))
2.8 0.70 0.70
! peak number c 103 F1= 4.588 F2= 5.294 null null d= 4.9
assi (( resid 28 and name HA
))
(( resid 43 and name HA
))
4.9 1.23 1.23
! peak number c 2232 F1= 2.830 F2= 1.498 null null d= 4.5
assi (( resid 28 and name HB1
))
(( resid 28 and name HE*
))
4.5 2.53 2.53
! peak number c 2228 F1= 1.222 F2= 1.502 null null d= 2.6
assi (( resid 28 and name HB1
))
(( resid 28 and name HG*
))
2.6 0.84 0.84
! peak number n 770 F1= 1.543 F2= 8.228 null null d= 3.0
assi (( resid 28 and name HB1
))
(( resid 28 and name HN
))
3 1.12 1.12
! peak number c 2239 F1= 8.221 F2= 1.518 null null d= 3.3
assi (( resid 28 and name HB1
))
(( resid 29 and name HN) or ( resid 28 and name HN
))
3.3 1.36 1.36
! peak number c 2240 F1= 8.435 F2= 1.525 null null d= 5.7 dist trop loin
! peak number n 1175 F1= 1.530 F2= 8.246 null null d= 3.6
assi (( resid 28 and name HB1) or ( resid 12 and name HB1
))
(( resid 29 and name HN
))
3.6 1.62 1.62
! peak number c 2233 F1= 2.830 F2= 1.436 null null d= 3.8
assi (( resid 28 and name HB2
))
(( resid 28 and name HE*
))
3.8 1.80 1.80
! peak number c 3815 F1= 1.225 F2= 1.447 null null d= 3.0
assi (( resid 28 and name HB2
))
(( resid 28 and name HG*
))
3 1.12 1.12
! peak number c 2238 F1= 8.227 F2= 1.438 null null d= 3.2
assi (( resid 28 and name HB2
))
(( resid 28 and name HN
))
3.2 1.32 1.32
! peak number c 2241 F1= 8.450 F2= 1.449 null null d= 4.6
assi (( resid 28 and name HB2
))
(( resid 41 and name HN
))
4.59 2.64 2.64
! peak number c 2247 F1= 8.367 F2= 1.575 null null d= 4.1
assi (( resid 28 and name HD*
))
(( resid 44 and name HN
))
4.09 2.10 2.10
! peak number c 2244 F1= 2.821 F2= 1.199 null null d= 3.4
assi (( resid 28 and name HE*
))
(( resid 28 and name HG*
))
3.4 1.44 1.44
! peak number c 2485 F1= 2.844 F2= 3.483 null null d= 4.0
assi (( resid 28 and name HE*
))
(( resid 42 and name HB2
))
4 2.00 2.00
! peak number c 2242 F1= 8.232 F2= 1.201 null null d= 3.3
assi (( resid 28 and name HG*
))
(( resid 28 and name HN
))
3.3 1.36 1.36
! peak number n 769 F1= 0.213 F2= 8.246 null null d= 3.5
assi (( resid 28 and name HN
))
(( resid 40 and name HD2*
))
3.5 1.58 1.58
! peak number n 1013 F1= 8.227 F2= 8.453 null null d= 3.6
assi (( resid 28 and name HN
))
(( resid 41 and name HN
))
3.6 0.89 0.89
! peak number n 764 F1= 4.845 F2= 8.229 null null d= 3.5
assi (( resid 28 and name HN
))
(( resid 42 and name HA
))
3.5 0.88 0.88
! peak number n 1142 F1= 8.208 F2= 8.786 null null d= 4.1
assi (( resid 28 and name HN
))
(( resid 43 and name HN
))
4.09 1.02 1.02
! peak number n 783 F1= 4.380 F2= 7.643 null null d= 3.4
assi (( resid 29 and name HA
))
(( resid 31 and name HN
))
3.4 0.85 0.85
! peak number c 109 F1= 0.409 F2= 4.372 null null d= 3.6
assi (( resid 29 and name HA) or ( resid 109 and name HA
))
(( resid 95 and name HG2*) or ( resid 95 and name HD1*) or ( resid 14 and name HG1*
))
3.6 1.62 1.62
! peak number c 3912 F1= 8.218 F2= 0.400 null null d= 4.0
assi (( resid 29 and name HN) or ( resid 28 and name HN
))
(( resid 40 and name HD1*
))
4 2.00 2.00
! peak number c 113 F1= 4.151 F2= 4.630 null null d= 3.1
assi (( resid 30 and name HA
))
(( resid 30 and name HB
))
3.1 1.24 1.24
! peak number c 118 F1= 1.224 F2= 4.625 null null d= 3.1
assi (( resid 30 and name HA
))
(( resid 30 and name HG2*
))
3.1 1.20 1.20
! peak number n 911 F1= 4.655 F2= 8.265 null null d= 3.4
assi (( resid 30 and name HA
))
(( resid 30 and name HN
))
3.4 0.85 0.85
! peak number n 784 F1= 4.644 F2= 7.641 null null d= 3.4
assi (( resid 30 and name HA
))
(( resid 31 and name HN
))
3.4 0.85 0.85
! peak number c 2259 F1= 4.167 F2= 1.226 null null d= 2.6
assi (( resid 30 and name HB
))
(( resid 30 and name HG2*
))
2.6 0.85 0.85
! peak number n 781 F1= 4.228 F2= 7.643 null null d= 3.7
assi (( resid 30 and name HB
))
(( resid 31 and name HN
))
3.7 1.71 1.71
! peak number c 2257 F1= 8.253 F2= 1.220 null null d= 4.4
assi (( resid 30 and name HG2*
))
(( resid 30 and name HN
))
4.4 2.42 2.42
! peak number c 3785 F1= 1.833 F2= 1.218 null null d= 4.4
assi (( resid 30 and name HG2*
))
(( resid 31 and name HB2
))
4.4 2.42 2.42
! peak number c 3787 F1= 1.502 F2= 1.218 null null d= 3.7
assi (( resid 30 and name HG2*
))
(( resid 31 and name HG*
))
3.7 1.71 1.71
! peak number c 3783 F1= 4.781 F2= 1.202 null null d= 3.8
assi (( resid 30 and name HG2*
))
(( resid 40 and name HA
))
3.8 1.80 1.80
! peak number c 3786 F1= 1.610 F2= 1.217 null null d= 3.5
assi (( resid 30 and name HG2*
))
(( resid 41 and name HB2) or ( resid 39 and name HD2) or ( resid 31 and name HB1
))
3.5 1.53 1.53
! peak number n 908 F1= 1.243 F2= 8.256 null null d= 3.8
assi (( resid 30 and name HN
))
(( resid 39 and name HG*
))
3.8 1.80 1.80
! peak number c 122 F1= 1.637 F2= 4.426 null null d= 3.4
assi (( resid 31 and name HA
))
(( resid 31 and name HB1
))
3.4 1.40 1.40
! peak number c 123 F1= 1.853 F2= 4.422 null null d= 3.5
assi (( resid 31 and name HA
))
(( resid 31 and name HB2
))
3.5 1.53 1.53
! peak number c 124 F1= 3.098 F2= 4.426 null null d= 4.0
assi (( resid 31 and name HA
))
(( resid 31 and name HD*
))
4 2.00 2.00
! peak number c 121 F1= 1.482 F2= 4.422 null null d= 3.5
assi (( resid 31 and name HA
))
(( resid 31 and name HG*
))
3.5 1.53 1.53
! peak number n 782 F1= 4.438 F2= 7.642 null null d= 3.1
assi (( resid 31 and name HA
))
(( resid 31 and name HN
))
3.1 0.78 0.78
! peak number c 2299 F1= 4.409 F2= 2.960 null null d= 4.2
assi (( resid 31 and name HA
))
(( resid 32 and name HB1
))
4.2 2.21 2.21
! peak number n 108 F1= 4.440 F2= 9.035 null null d= 2.5
assi (( resid 31 and name HA
))
(( resid 32 and name HN
))
2.5 0.62 0.62
! peak number c 2270 F1= 1.626 F2= 1.840 null null d= 2.7
assi (( resid 31 and name HB1
))
(( resid 31 and name HB2
))
2.7 0.88 0.88
! peak number c 2275 F1= 3.112 F2= 1.613 null null d= 2.8
assi (( resid 31 and name HB1
))
(( resid 31 and name HD*
))
2.8 1.02 1.02
! peak number c 2283 F1= 7.606 F2= 1.616 null null d= 4.0
assi (( resid 31 and name HB1
))
(( resid 31 and name HN
))
4 2.05 2.05
! peak number n 104 F1= 1.666 F2= 9.036 null null d= 2.9
assi (( resid 31 and name HB1
))
(( resid 32 and name HN
))
2.9 1.05 1.05
! peak number c 2264 F1= 0.627 F2= 1.616 null null d= 3.8
assi (( resid 31 and name HB1
))
(( resid 33 and name HG1*
))
3.8 1.80 1.80
! peak number c 2265 F1= 0.839 F2= 1.609 null null d= 4.2
assi (( resid 31 and name HB1
))
(( resid 33 and name HG2*
))
4.2 2.21 2.21
! peak number c 2274 F1= 2.832 F2= 1.614 null null d= 3.5
assi (( resid 31 and name HB1
))
(( resid 39 and name HE2
))
3.5 1.49 1.49
! peak number c 2408 F1= 1.628 F2= 1.246 null null d= 2.6
assi (( resid 31 and name HB1
))
(( resid 39 and name HG*
))
2.6 0.85 0.85
! peak number n 208 F1= 1.649 F2= 9.074 null null d= 3.4
assi (( resid 31 and name HB1
))
(( resid 39 and name HN
))
3.4 1.44 1.44
! peak number c 2285 F1= 9.050 F2= 1.614 null null d= 3.7
assi (( resid 31 and name HB1
))
(( resid 39 and name HN) or ( resid 32 and name HN
))
3.7 1.71 1.71
! peak number c 2276 F1= 3.117 F2= 1.841 null null d= 3.5
assi (( resid 31 and name HB2
))
(( resid 31 and name HD*
))
3.5 1.53 1.53
! peak number c 2282 F1= 7.613 F2= 1.835 null null d= 3.8
assi (( resid 31 and name HB2
))
(( resid 31 and name HN
))
3.8 1.80 1.80
! peak number c 2284 F1= 9.028 F2= 1.836 null null d= 3.5
assi (( resid 31 and name HB2
))
(( resid 32 and name HN
))
3.5 1.58 1.58
! peak number c 2268 F1= 0.619 F2= 1.838 null null d= 4.2
assi (( resid 31 and name HB2
))
(( resid 33 and name HG1*
))
4.2 2.21 2.21
! peak number c 2423 F1= 1.813 F2= 2.857 null null d= 4.7
assi (( resid 31 and name HB2
))
(( resid 39 and name HE2
))
4.7 2.76 2.76
! peak number c 2289 F1= 3.114 F2= 1.484 null null d= 2.9
assi (( resid 31 and name HD*
))
(( resid 31 and name HG*
))
2.9 1.05 1.05
! peak number c 2331 F1= 3.111 F2= 0.620 null null d= 4.0
assi (( resid 31 and name HD*
))
(( resid 33 and name HG1*
))
4 2.00 2.00
! peak number c 2291 F1= 0.829 F2= 3.106 null null d= 3.2
assi (( resid 31 and name HD*
))
(( resid 33 and name HG2*
))
3.2 1.24 1.24
! peak number c 2286 F1= 9.034 F2= 1.475 null null d= 3.3
assi (( resid 31 and name HG*
))
(( resid 32 and name HN
))
3.3 1.40 1.40
! peak number c 3156 F1= 2.850 F2= 1.499 null null d= 3.1
assi (( resid 31 and name HG*
))
(( resid 39 and name HE2
))
3.1 1.20 1.20
! peak number c 3718 F1= 7.610 F2= 0.623 null null d= 4.2
assi (( resid 31 and name HN
))
(( resid 33 and name HG1*
))
4.2 2.21 2.21
! peak number n 792 F1= 0.870 F2= 7.642 null null d= 3.6
assi (( resid 31 and name HN
))
(( resid 33 and name HG2*) or ( resid 10 and name HG1*
))
3.6 1.62 1.62
! peak number n 786 F1= 4.835 F2= 7.640 null null d= 3.5
assi (( resid 31 and name HN
))
(( resid 39 and name HA) or ( resid 38 and name HA
))
3.5 1.53 1.53
! peak number c 2404 F1= 7.619 F2= 1.481 null null d= 4.8
assi (( resid 31 and name HN
))
(( resid 39 and name HB1
))
4.8 2.88 2.88
! peak number n 790 F1= 1.522 F2= 7.643 null null d= 3.3
assi (( resid 31 and name HN
))
(( resid 39 and name HB1) or ( resid 31 and name HG*
))
3.3 1.36 1.36
! peak number c 2393 F1= 7.601 F2= 1.701 null null d= 4.0
assi (( resid 31 and name HN
))
(( resid 39 and name HB2
))
4 2.05 2.05
! peak number c 3791 F1= 7.603 F2= 1.247 null null d= 4.9
assi (( resid 31 and name HN
))
(( resid 39 and name HG*
))
4.9 3.00 3.00
! peak number n 1287 F1= 7.642 F2= 9.070 null null d= 3.5
assi (( resid 31 and name HN
))
(( resid 39 and name HN
))
3.5 0.86 0.86
! peak number c 2446 F1= 7.590 F2= 0.998 null null d= 4.5
assi (( resid 31 and name HN
))
(( resid 40 and name HB1
))
4.5 2.53 2.53
! peak number c 2447 F1= 7.591 F2= 1.422 null null d= 5.0
assi (( resid 31 and name HN
))
(( resid 40 and name HB2
))
5 3.12 3.12
! peak number c 3911 F1= 7.595 F2= 0.402 null null d= 4.1
assi (( resid 31 and name HN
))
(( resid 40 and name HD1*
))
4.09 2.10 2.10
! peak number c 15 F1= 2.973 F2= 4.676 null null d= 3.6
assi (( resid 32 and name HA
))
(( resid 32 and name HB1
))
3.6 1.62 1.62
! peak number c 14 F1= 2.536 F2= 4.676 null null d= 3.9
assi (( resid 32 and name HA
))
(( resid 32 and name HB2
))
3.9 1.90 1.90
! peak number n 109 F1= 4.748 F2= 9.038 null null d= 2.8
assi (( resid 32 and name HA
))
(( resid 32 and name HN
))
2.8 0.70 0.70
! peak number n 993 F1= 4.720 F2= 7.414 null null d= 2.8
assi (( resid 32 and name HA
))
(( resid 33 and name HN
))
2.8 0.70 0.70
! peak number c 2370 F1= 4.685 F2= 1.598 null null d= 4.8
assi (( resid 32 and name HA
))
(( resid 37 and name HB2
))
4.8 2.88 2.88
! peak number c 19 F1= 4.799 F2= 4.661 null null d= 3.5
assi (( resid 32 and name HA
))
(( resid 38 and name HA
))
3.5 0.89 0.89
! peak number c 2300 F1= 2.536 F2= 2.974 null null d= 2.5
assi (( resid 32 and name HB1
))
(( resid 32 and name HB2
))
2.5 0.75 0.75
! peak number c 2294 F1= 9.019 F2= 2.969 null null d= 3.0
assi (( resid 32 and name HB1
))
(( resid 32 and name HN
))
3 1.12 1.12
! peak number n 995 F1= 2.998 F2= 7.413 null null d= 3.8
assi (( resid 32 and name HB1
))
(( resid 33 and name HN
))
3.8 1.80 1.80
! peak number c 2295 F1= 9.032 F2= 2.523 null null d= 3.1
assi (( resid 32 and name HB2
))
(( resid 32 and name HN
))
3.1 1.20 1.20
! peak number c 3872 F1= 7.384 F2= 2.527 null null d= 4.5
assi (( resid 32 and name HB2
))
(( resid 33 and name HN
))
4.5 2.53 2.53
! peak number c 131 F1= 2.044 F2= 4.112 null null d= 3.0
assi (( resid 33 and name HA
))
(( resid 33 and name HB
))
3 1.12 1.12
! peak number c 129 F1= 0.624 F2= 4.108 null null d= 3.1
assi (( resid 33 and name HA
))
(( resid 33 and name HG1*
))
3.1 1.20 1.20
! peak number c 130 F1= 0.817 F2= 4.110 null null d= 3.1
assi (( resid 33 and name HA
))
(( resid 33 and name HG2*
))
3.1 1.20 1.20
! peak number n 992 F1= 4.136 F2= 7.413 null null d= 3.3
assi (( resid 33 and name HA
))
(( resid 33 and name HN
))
3.3 0.82 0.82
! peak number n 349 F1= 4.122 F2= 7.891 null null d= 3.0
assi (( resid 33 and name HA
))
(( resid 34 and name HN
))
3 0.75 0.75
! peak number c 2305 F1= 0.635 F2= 2.030 null null d= 2.8
assi (( resid 33 and name HB
))
(( resid 33 and name HG1*
))
2.8 0.98 0.98
! peak number c 2306 F1= 0.837 F2= 2.029 null null d= 2.8
assi (( resid 33 and name HB
))
(( resid 33 and name HG2*
))
2.8 0.95 0.95
! peak number c 2310 F1= 7.405 F2= 2.032 null null d= 3.3
assi (( resid 33 and name HB
))
(( resid 33 and name HN
))
3.3 1.36 1.36
! peak number c 2308 F1= 1.391 F2= 2.033 null null d= 4.3
assi (( resid 33 and name HB
))
(( resid 37 and name HB1
))
4.3 2.31 2.31
! peak number c 2307 F1= 1.609 F2= 2.033 null null d= 3.7
assi (( resid 33 and name HB
))
(( resid 37 and name HB2
))
3.7 1.71 1.71
! peak number c 3243 F1= 7.853 F2= 2.004 null null d= 3.1
assi (( resid 33 and name HB) or ( resid 100 and name HB1
))
(( resid 34 and name HN) or ( resid 100 and name HN
))
3.1 1.20 1.20
! peak number c 2339 F1= 0.837 F2= 0.621 null null d= 2.5
assi (( resid 33 and name HG1*
))
(( resid 33 and name HG2*
))
2.5 0.78 0.78
! peak number c 2326 F1= 7.412 F2= 0.621 null null d= 2.9
assi (( resid 33 and name HG1*
))
(( resid 33 and name HN
))
2.9 1.05 1.05
! peak number c 2327 F1= 7.862 F2= 0.619 null null d= 3.2
assi (( resid 33 and name HG1*
))
(( resid 34 and name HN
))
3.2 1.28 1.28
! peak number c 2337 F1= 1.409 F2= 0.620 null null d= 3.2
assi (( resid 33 and name HG1*
))
(( resid 37 and name HB1
))
3.2 1.28 1.28
! peak number c 2336 F1= 1.613 F2= 0.620 null null d= 3.0
assi (( resid 33 and name HG1*
))
(( resid 37 and name HB2
))
3 1.09 1.09
! peak number c 2252 F1= 0.624 F2= 1.561 null null d= 3.2
assi (( resid 33 and name HG1*
))
(( resid 37 and name HD*
))
3.2 1.28 1.28
! peak number c 2332 F1= 2.890 F2= 0.619 null null d= 3.7
assi (( resid 33 and name HG1*
))
(( resid 37 and name HE2
))
3.7 1.71 1.71
! peak number c 3103 F1= 0.613 F2= 1.303 null null d= 3.8
assi (( resid 33 and name HG1*
))
(( resid 37 and name HG1
))
3.8 1.80 1.80
! peak number c 3782 F1= 0.614 F2= 1.203 null null d= 4.6
assi (( resid 33 and name HG1*
))
(( resid 37 and name HG2
))
4.59 2.64 2.64
! peak number n 799 F1= 0.653 F2= 7.367 null null d= 3.4
assi (( resid 33 and name HG1*
))
(( resid 37 and name HN
))
3.4 1.44 1.44
! peak number c 157 F1= 0.615 F2= 4.806 null null d= 3.7
assi (( resid 33 and name HG1*
))
(( resid 38 and name HA
))
3.7 1.71 1.71
! peak number c 2387 F1= 0.600 F2= 2.365 null null d= 3.6
assi (( resid 33 and name HG1*
))
(( resid 38 and name HB1
))
3.6 1.62 1.62
! peak number c 3717 F1= 8.822 F2= 0.619 null null d= 4.1
assi (( resid 33 and name HG1*
))
(( resid 38 and name HN
))
4.09 2.10 2.10
! peak number c 2400 F1= 0.619 F2= 1.481 null null d= 3.8
assi (( resid 33 and name HG1*
))
(( resid 39 and name HB1
))
3.8 1.80 1.80
! peak number c 2403 F1= 0.626 F2= 1.701 null null d= 4.5
assi (( resid 33 and name HG1*
))
(( resid 39 and name HB2
))
4.5 2.53 2.53
! peak number c 2428 F1= 0.612 F2= 2.703 null null d= 4.4
assi (( resid 33 and name HG1*
))
(( resid 39 and name HE1
))
4.4 2.42 2.42
! peak number c 2419 F1= 0.616 F2= 2.855 null null d= 4.8
assi (( resid 33 and name HG1*
))
(( resid 39 and name HE2
))
4.8 2.88 2.88
! peak number c 2338 F1= 1.249 F2= 0.619 null null d= 3.4
assi (( resid 33 and name HG1*
))
(( resid 39 and name HG*
))
3.4 1.44 1.44
! peak number c 2328 F1= 9.052 F2= 0.621 null null d= 3.2
assi (( resid 33 and name HG1*
))
(( resid 39 and name HN
))
3.2 1.24 1.24
! peak number c 3901 F1= 0.611 F2= 0.398 null null d= 2.9
assi (( resid 33 and name HG1*
))
(( resid 40 and name HD1*
))
2.9 1.05 1.05
! peak number c 3797 F1= 0.592 F2= 1.269 null null d= 4.5
assi (( resid 33 and name HG1*
))
(( resid 40 and name HG
))
4.5 2.53 2.53
! peak number c 2340 F1= 5.572 F2= 0.619 null null d= 4.2
assi (( resid 33 and name HG1*
))
(( resid 49 and name HA
))
4.2 2.21 2.21
! peak number c 2590 F1= 0.614 F2= 1.276 null null d= 2.8
assi (( resid 33 and name HG1*
))
(( resid 50 and name HG1*
))
2.8 0.98 0.98
! peak number c 3715 F1= 9.576 F2= 0.618 null null d= 4.7
assi (( resid 33 and name HG1*
))
(( resid 50 and name HN
))
4.7 2.76 2.76
! peak number c 219 F1= 0.594 F2= 3.795 null null d= 4.1
assi (( resid 33 and name HG1*
))
(( resid 52 and name HA1
))
4.09 2.10 2.10
! peak number c 2630 F1= 0.594 F2= 4.157 null null d= 3.7
assi (( resid 33 and name HG1*
))
(( resid 52 and name HA2
))
3.7 1.71 1.71
! peak number c 2315 F1= 7.393 F2= 0.819 null null d= 3.5
assi (( resid 33 and name HG2*
))
(( resid 33 and name HN
))
3.5 1.58 1.58
! peak number c 132 F1= 0.845 F2= 4.270 null null d= 5.4 dist trop loin
! peak number n 354 F1= 0.856 F2= 7.886 null null d= 3.6
assi (( resid 33 and name HG2*
))
(( resid 34 and name HN
))
3.6 1.62 1.62
! peak number c 2401 F1= 0.831 F2= 1.485 null null d= 3.4
assi (( resid 33 and name HG2*
))
(( resid 39 and name HB1
))
3.4 1.44 1.44
! peak number c 2402 F1= 0.839 F2= 1.701 null null d= 4.6
assi (( resid 33 and name HG2*
))
(( resid 39 and name HB2
))
4.59 2.64 2.64
! peak number c 3746 F1= 9.058 F2= 0.820 null null d= 3.4
assi (( resid 33 and name HG2*
))
(( resid 39 and name HN
))
3.4 1.44 1.44
! peak number n 994 F1= 4.825 F2= 7.417 null null d= 3.5
assi (( resid 33 and name HN
))
(( resid 38 and name HA
))
3.5 0.88 0.88
! peak number n 999 F1= 6.866 F2= 7.415 null null d= 3.6
assi (( resid 33 and name HN
))
(( resid 38 and name HD*
))
3.6 1.62 1.62
! peak number n 1002 F1= 9.056 F2= 7.414 null null d= 3.6
assi (( resid 33 and name HN
))
(( resid 39 and name HN
))
3.6 0.90 0.90
! peak number c 135 F1= 3.706 F2= 4.276 null null d= 2.8
assi (( resid 34 and name HA1
))
(( resid 34 and name HA2
))
2.8 0.71 0.71
! peak number c 2342 F1= 7.898 F2= 4.262 null null d= 2.9
assi (( resid 34 and name HA1
))
(( resid 34 and name HN
))
2.9 0.71 0.71
! peak number c 138 F1= 3.907 F2= 4.283 null null d= 5.4 dist trop loin
! peak number c 2357 F1= 4.269 F2= 1.349 null null d= 3.3
assi (( resid 34 and name HA1
))
(( resid 35 and name HB*
))
3.3 1.36 1.36
! peak number c 133 F1= 1.335 F2= 4.280 null null d= 4.8
assi (( resid 34 and name HA1
))
(( resid 37 and name HG1
))
4.8 2.88 2.88
! peak number c 2343 F1= 7.873 F2= 3.697 null null d= 2.9
assi (( resid 34 and name HA2
))
(( resid 34 and name HN
))
2.9 0.73 0.73
! peak number c 137 F1= 3.898 F2= 3.710 null null d= 4.8
assi (( resid 34 and name HA2
))
(( resid 35 and name HA
))
4.8 1.21 1.21
! peak number n 885 F1= 3.731 F2= 8.627 null null d= 3.9
assi (( resid 34 and name HA2
))
(( resid 35 and name HN
))
3.9 0.97 0.97
! peak number c 134 F1= 1.307 F2= 3.708 null null d= 5.2
assi (( resid 34 and name HA2
))
(( resid 37 and name HG1
))
5.2 3.38 3.38
! peak number c 140 F1= 1.325 F2= 3.891 null null d= 2.8
assi (( resid 35 and name HA
))
(( resid 35 and name HB*
))
2.8 0.98 0.98
! peak number n 886 F1= 3.917 F2= 8.625 null null d= 3.4
assi (( resid 35 and name HA
))
(( resid 35 and name HN
))
3.4 0.85 0.85
! peak number n 274 F1= 3.917 F2= 8.289 null null d= 3.2
assi (( resid 35 and name HA
))
(( resid 36 and name HN
))
3.2 0.80 0.80
! peak number c 139 F1= 1.199 F2= 3.888 null null d= 5.0
assi (( resid 35 and name HA
))
(( resid 37 and name HG2
))
5 3.12 3.12
! peak number c 2349 F1= 8.632 F2= 1.330 null null d= 3.7
assi (( resid 35 and name HB*
))
(( resid 35 and name HN
))
3.7 1.71 1.71
! peak number c 2355 F1= 3.678 F2= 1.331 null null d= 3.6
assi (( resid 35 and name HB*
))
(( resid 36 and name HA1) or ( resid 34 and name HA2
))
3.6 1.62 1.62
! peak number c 2350 F1= 8.319 F2= 1.328 null null d= 3.8
assi (( resid 35 and name HB*
))
(( resid 36 and name HN
))
3.8 1.80 1.80
! peak number c 3802 F1= 4.932 F2= 1.334 null null d= 4.8
assi (( resid 35 and name HB*
))
(( resid 37 and name HA
))
4.8 2.88 2.88
! peak number c 2356 F1= 2.869 F2= 1.332 null null d= 3.6
assi (( resid 35 and name HB*
))
(( resid 37 and name HE1
))
3.6 1.62 1.62
! peak number c 2351 F1= 7.344 F2= 1.334 null null d= 3.9
assi (( resid 35 and name HB*
))
(( resid 37 and name HN
))
3.9 1.90 1.90
! peak number n 884 F1= 1.355 F2= 8.630 null null d= 3.2
assi (( resid 35 and name HN
))
(( resid 37 and name HG1) or ( resid 35 and name HB*
))
3.2 1.28 1.28
! peak number c 145 F1= 4.086 F2= 3.646 null null d= 2.5
assi (( resid 36 and name HA1
))
(( resid 36 and name HA2
))
2.5 0.64 0.64
! peak number c 2358 F1= 8.304 F2= 3.651 null null d= 3.1
assi (( resid 36 and name HA1
))
(( resid 36 and name HN
))
3.1 0.78 0.78
! peak number n 805 F1= 3.672 F2= 7.371 null null d= 3.0
assi (( resid 36 and name HA1
))
(( resid 37 and name HN
))
3 0.75 0.75
! peak number c 2359 F1= 8.309 F2= 4.086 null null d= 3.2
assi (( resid 36 and name HA2
))
(( resid 36 and name HN
))
3.2 0.81 0.81
! peak number n 806 F1= 4.117 F2= 7.371 null null d= 3.1
assi (( resid 36 and name HA2
))
(( resid 37 and name HN
))
3.1 0.78 0.78
! peak number c 148 F1= 0.944 F2= 4.099 null null d= 4.4
assi (( resid 36 and name HA2
))
(( resid 51 and name HD1*
))
4.4 2.42 2.42
! peak number n 277 F1= 1.356 F2= 8.291 null null d= 3.6
assi (( resid 36 and name HN
))
(( resid 37 and name HG1) or ( resid 35 and name HB*
))
3.6 1.62 1.62
! peak number n 278 F1= 7.368 F2= 8.285 null null d= 2.9
assi (( resid 36 and name HN
))
(( resid 37 and name HN
))
2.9 0.72 0.72
! peak number c 152 F1= 1.389 F2= 4.946 null null d= 4.0
assi (( resid 37 and name HA
))
(( resid 37 and name HB1
))
4 1.95 1.95
! peak number c 153 F1= 1.603 F2= 4.944 null null d= 3.6
assi (( resid 37 and name HA
))
(( resid 37 and name HB2
))
3.6 1.62 1.62
! peak number c 2249 F1= 4.931 F2= 1.563 null null d= 3.4
assi (( resid 37 and name HA
))
(( resid 37 and name HD*
))
3.4 1.44 1.44
! peak number c 151 F1= 1.306 F2= 4.947 null null d= 3.6
assi (( resid 37 and name HA
))
(( resid 37 and name HG1
))
3.6 1.62 1.62
! peak number n 808 F1= 4.955 F2= 7.376 null null d= 3.0
assi (( resid 37 and name HA
))
(( resid 37 and name HN
))
3 0.75 0.75
! peak number n 747 F1= 4.957 F2= 8.836 null null d= 2.7
assi (( resid 37 and name HA
))
(( resid 38 and name HN
))
2.7 0.68 0.68
! peak number c 149 F1= 0.957 F2= 4.945 null null d= 3.4
assi (( resid 37 and name HA
))
(( resid 51 and name HD1*
))
3.4 1.40 1.40
! peak number n 1292 F1= 4.961 F2= 8.997 null null d= 4.5
assi (( resid 37 and name HA
))
(( resid 52 and name HN
))
4.5 1.12 1.12
! peak number c 2365 F1= 1.375 F2= 1.608 null null d= 2.7
assi (( resid 37 and name HB1
))
(( resid 37 and name HB2
))
2.7 0.91 0.91
! peak number c 2377 F1= 2.898 F2= 1.391 null null d= 4.3
assi (( resid 37 and name HB1
))
(( resid 37 and name HE2
))
4.3 2.31 2.31
! peak number c 2374 F1= 7.375 F2= 1.394 null null d= 3.2
assi (( resid 37 and name HB1
))
(( resid 37 and name HN
))
3.2 1.28 1.28
! peak number c 2376 F1= 8.836 F2= 1.403 null null d= 3.8
assi (( resid 37 and name HB1
))
(( resid 38 and name HN
))
3.8 1.76 1.76
! peak number c 2559 F1= 1.398 F2= 2.586 null null d= 4.1
assi (( resid 37 and name HB1
))
(( resid 49 and name HB2
))
4.09 2.10 2.10
! peak number c 3811 F1= 1.069 F2= 1.392 null null d= 3.8
assi (( resid 37 and name HB1
))
(( resid 50 and name HG2*
))
3.8 1.80 1.80
! peak number c 2371 F1= 4.723 F2= 1.391 null null d= 4.8
assi (( resid 37 and name HB1
))
(( resid 51 and name HA
))
4.8 2.88 2.88
! peak number c 2607 F1= 1.370 F2= 1.734 null null d= 3.8
assi (( resid 37 and name HB1
))
(( resid 51 and name HB1
))
3.8 1.80 1.80
! peak number n 327 F1= 1.445 F2= 8.979 null null d= 4.0
assi (( resid 37 and name HB1
))
(( resid 52 and name HN
))
4 2.00 2.00
! peak number c 2379 F1= 1.550 F2= 1.627 null null d= 3.2
assi (( resid 37 and name HB2
))
(( resid 37 and name HD*
))
3.2 1.28 1.28
! peak number c 2367 F1= 2.854 F2= 1.607 null null d= 3.5
assi (( resid 37 and name HB2
))
(( resid 37 and name HE1
))
3.5 1.53 1.53
! peak number c 2383 F1= 1.602 F2= 1.323 null null d= 2.4
assi (( resid 37 and name HB2
))
(( resid 37 and name HG1
))
2.4 0.72 0.72
! peak number c 2382 F1= 1.603 F2= 1.207 null null d= 2.4
assi (( resid 37 and name HB2
))
(( resid 37 and name HG2
))
2.4 0.72 0.72
! peak number c 2373 F1= 7.356 F2= 1.613 null null d= 3.0
assi (( resid 37 and name HB2
))
(( resid 37 and name HN
))
3 1.12 1.12
! peak number c 2375 F1= 8.829 F2= 1.611 null null d= 3.8
assi (( resid 37 and name HB2
))
(( resid 38 and name HN
))
3.8 1.76 1.76
! peak number c 2560 F1= 1.604 F2= 2.587 null null d= 3.7
assi (( resid 37 and name HB2
))
(( resid 49 and name HB2
))
3.7 1.71 1.71
! peak number c 2618 F1= 1.608 F2= 0.951 null null d= 2.7
assi (( resid 37 and name HB2
))
(( resid 51 and name HD1*
))
2.7 0.91 0.91
! peak number c 2557 F1= 1.555 F2= 2.199 null null d= 3.3
assi (( resid 37 and name HD*
))
(( resid 49 and name HB1
))
3.3 1.36 1.36
! peak number c 2384 F1= 2.585 F2= 1.568 null null d= 3.9
assi (( resid 37 and name HD*
))
(( resid 49 and name HB2
))
3.9 1.90 1.90
! peak number c 2253 F1= 0.928 F2= 1.556 null null d= 3.3
assi (( resid 37 and name HD*
))
(( resid 51 and name HD1*
))
3.3 1.36 1.36
! peak number c 2256 F1= 2.852 F2= 1.559 null null d= 2.3
assi (( resid 37 and name HD*) or ( resid 28 and name HD*) or ( resid 102 and name HD*
))
(( resid 37 and name HE1) or ( resid 28 and name HE*) or ( resid 102 and name HE*
))
2.29 0.66 0.66
! peak number c 2380 F1= 2.855 F2= 1.328 null null d= 3.2
assi (( resid 37 and name HE1
))
(( resid 37 and name HG1
))
3.2 1.28 1.28
! peak number c 2381 F1= 2.859 F2= 1.203 null null d= 3.2
assi (( resid 37 and name HE1
))
(( resid 37 and name HG2
))
3.2 1.28 1.28
! peak number c 2617 F1= 2.879 F2= 0.949 null null d= 3.2
assi (( resid 37 and name HE2) or ( resid 37 and name HE1
))
(( resid 51 and name HD1*
))
3.2 1.28 1.28
! peak number c 3780 F1= 1.338 F2= 1.211 null null d= 2.4
assi (( resid 37 and name HG1
))
(( resid 37 and name HG2
))
2.4 0.72 0.72
! peak number n 802 F1= 1.349 F2= 7.372 null null d= 2.7
assi (( resid 37 and name HG1
))
(( resid 37 and name HN
))
2.7 0.91 0.91
! peak number c 2608 F1= 1.345 F2= 1.840 null null d= 3.9
assi (( resid 37 and name HG1
))
(( resid 51 and name HB2
))
3.9 1.90 1.90
! peak number c 2620 F1= 1.327 F2= 0.951 null null d= 2.7
assi (( resid 37 and name HG1
))
(( resid 51 and name HD1*
))
2.7 0.91 0.91
! peak number n 328 F1= 1.357 F2= 8.985 null null d= 4.1
assi (( resid 37 and name HG1
))
(( resid 52 and name HN
))
4.09 2.10 2.10
! peak number n 800 F1= 1.168 F2= 7.371 null null d= 3.7
assi (( resid 37 and name HG2
))
(( resid 37 and name HN
))
3.7 1.71 1.71
! peak number n 811 F1= 8.859 F2= 7.373 null null d= 3.7
assi (( resid 37 and name HN
))
(( resid 38 and name HN
))
3.7 0.93 0.93
! peak number c 1148 F1= 7.383 F2= 6.872 null null d= 4.7
assi (( resid 37 and name HN) or ( resid 33 and name HN
))
(( resid 38 and name HD*
))
4.7 2.76 2.76
! peak number c 156 F1= 2.370 F2= 4.800 null null d= 4.2
assi (( resid 38 and name HA
))
(( resid 38 and name HB1
))
4.2 2.15 2.15
! peak number c 155 F1= 2.945 F2= 4.804 null null d= 4.1
assi (( resid 38 and name HA
))
(( resid 38 and name HB2
))
4.09 2.10 2.10
! peak number n 746 F1= 4.827 F2= 8.832 null null d= 3.5
assi (( resid 38 and name HA
))
(( resid 38 and name HN
))
3.5 0.88 0.88
! peak number n 211 F1= 4.832 F2= 9.068 null null d= 2.7
assi (( resid 38 and name HA
))
(( resid 39 and name HN
))
2.7 0.68 0.68
! peak number c 2667 F1= 4.832 F2= 1.950 null null d= 4.6
assi (( resid 38 and name HA
))
(( resid 56 and name HB2
))
4.59 2.64 2.64
! peak number c 1007 F1= 2.362 F2= 6.872 null null d= 3.9
assi (( resid 38 and name HB1
))
(( resid 38 and name HD*
))
3.9 1.90 1.90
! peak number c 1010 F1= 2.364 F2= 6.615 null null d= 5.6 dist trop loin
! peak number n 753 F1= 2.395 F2= 8.833 null null d= 3.6
assi (( resid 38 and name HB1
))
(( resid 38 and name HN
))
3.6 1.62 1.62
! peak number c 3906 F1= 2.340 F2= 0.397 null null d= 3.6
assi (( resid 38 and name HB1
))
(( resid 40 and name HD1*
))
3.6 1.62 1.62
! peak number c 1158 F1= 2.958 F2= 6.608 null null d= 4.4
assi (( resid 38 and name HB2
))
(( resid 38 and name HE*
))
4.4 2.42 2.42
! peak number n 754 F1= 2.966 F2= 8.836 null null d= 3.9
assi (( resid 38 and name HB2
))
(( resid 38 and name HN
))
3.9 1.90 1.90
! peak number c 2386 F1= 0.410 F2= 2.930 null null d= 3.3
assi (( resid 38 and name HB2
))
(( resid 40 and name HD1*
))
3.3 1.36 1.36
! peak number c 1146 F1= 6.606 F2= 6.872 null null d= 2.8
assi (( resid 38 and name HD*
))
(( resid 38 and name HE*
))
2.8 0.95 0.95
! peak number c 1147 F1= 8.820 F2= 6.872 null null d= 3.9
assi (( resid 38 and name HD*
))
(( resid 38 and name HN
))
3.9 1.90 1.90
! peak number c 1008 F1= 9.056 F2= 6.868 null null d= 3.7
assi (( resid 38 and name HD*
))
(( resid 39 and name HN
))
3.7 1.71 1.71
! peak number c 1142 F1= 0.370 F2= 6.868 null null d= 4.5
assi (( resid 38 and name HD*
))
(( resid 40 and name HD1*
))
4.5 2.53 2.53
! peak number c 1145 F1= 4.716 F2= 6.874 null null d= 3.3
assi (( resid 38 and name HD*
))
(( resid 51 and name HA
))
3.3 1.36 1.36
! peak number n 330 F1= 6.863 F2= 8.990 null null d= 4.1
assi (( resid 38 and name HD*
))
(( resid 52 and name HN
))
4.09 2.10 2.10
! peak number c 1306 F1= 1.980 F2= 6.890 null null d= 3.8
assi (( resid 38 and name HD*
))
(( resid 56 and name HB2
))
3.8 1.80 1.80
! peak number c 1143 F1= 0.589 F2= 6.872 null null d= 3.3
assi (( resid 38 and name HD*
))
(( resid 56 and name HD1*
))
3.3 1.36 1.36
! peak number n 752 F1= 6.618 F2= 8.838 null null d= 4.9
assi (( resid 38 and name HE*
))
(( resid 38 and name HN
))
4.9 3.00 3.00
! peak number c 1154 F1= 0.952 F2= 6.616 null null d= 5.1
assi (( resid 38 and name HE*
))
(( resid 51 and name HD1*) or ( resid 40 and name HB1) or ( resid 10 and name HG2*
))
5.09 3.25 3.25
! peak number c 1157 F1= 9.025 F2= 6.609 null null d= 4.3
assi (( resid 38 and name HE*
))
(( resid 51 and name HN) or ( resid 32 and name HN
))
4.3 2.31 2.31
! peak number c 1155 F1= 3.772 F2= 6.614 null null d= 4.6
assi (( resid 38 and name HE*
))
(( resid 52 and name HA1
))
4.59 2.64 2.64
! peak number n 331 F1= 6.618 F2= 8.997 null null d= 4.2
assi (( resid 38 and name HE*
))
(( resid 52 and name HN
))
4.2 2.21 2.21
! peak number c 1153 F1= 0.571 F2= 6.612 null null d= 4.2
assi (( resid 38 and name HE*
))
(( resid 56 and name HD1*
))
4.2 2.21 2.21
! peak number n 743 F1= 1.333 F2= 8.835 null null d= 3.9
assi (( resid 38 and name HN
))
(( resid 50 and name HG1*
))
3.9 1.90 1.90
! peak number n 252 F1= 8.837 F2= 9.613 null null d= 3.4
assi (( resid 38 and name HN
))
(( resid 50 and name HN
))
3.4 0.85 0.85
! peak number n 744 F1= 0.989 F2= 8.836 null null d= 3.6
assi (( resid 38 and name HN
))
(( resid 56 and name HB1) or ( resid 51 and name HD1*
))
3.6 1.62 1.62
! peak number c 523 F1= 1.494 F2= 4.861 null null d= 4.7
assi (( resid 39 and name HA
))
(( resid 39 and name HB1
))
4.7 2.76 2.76
! peak number c 2394 F1= 4.841 F2= 1.706 null null d= 4.3
assi (( resid 39 and name HA
))
(( resid 39 and name HB2
))
4.3 2.31 2.31
! peak number c 525 F1= 1.362 F2= 4.869 null null d= 5.4 dist trop loin
! peak number c 524 F1= 1.614 F2= 4.861 null null d= 4.7
assi (( resid 39 and name HA
))
(( resid 39 and name HD2
))
4.7 2.76 2.76
! peak number c 522 F1= 1.250 F2= 4.868 null null d= 3.6
assi (( resid 39 and name HA
))
(( resid 39 and name HG*
))
3.6 1.62 1.62
! peak number n 6 F1= 4.875 F2= 9.089 null null d= 2.7
assi (( resid 39 and name HA
))
(( resid 40 and name HN
))
2.7 0.68 0.68
! peak number c 2531 F1= 4.830 F2= 2.097 null null d= 3.9
assi (( resid 39 and name HA
))
(( resid 47 and name HG2
))
3.9 1.90 1.90
! peak number n 693 F1= 4.854 F2= 8.477 null null d= 3.5
assi (( resid 39 and name HA
))
(( resid 48 and name HN
))
3.5 0.88 0.88
! peak number c 160 F1= 5.571 F2= 4.859 null null d= 3.3
assi (( resid 39 and name HA
))
(( resid 49 and name HA
))
3.3 0.82 0.82
! peak number c 2553 F1= 4.830 F2= 2.190 null null d= 4.6
assi (( resid 39 and name HA
))
(( resid 49 and name HB1
))
4.59 2.64 2.64
! peak number n 250 F1= 4.870 F2= 9.606 null null d= 3.3
assi (( resid 39 and name HA
))
(( resid 50 and name HN
))
3.3 0.82 0.82
! peak number c 2453 F1= 4.830 F2= 1.267 null null d= 4.5
assi (( resid 39 and name HA) or ( resid 38 and name HA
))
(( resid 40 and name HG
))
4.5 2.53 2.53
! peak number c 2398 F1= 1.686 F2= 1.479 null null d= 3.9
assi (( resid 39 and name HB1
))
(( resid 39 and name HB2
))
3.9 1.90 1.90
! peak number c 3825 F1= 2.671 F2= 1.492 null null d= 4.2
assi (( resid 39 and name HB1
))
(( resid 39 and name HE1
))
4.2 2.21 2.21
! peak number c 3824 F1= 2.868 F2= 1.493 null null d= 4.4
assi (( resid 39 and name HB1
))
(( resid 39 and name HE2
))
4.4 2.42 2.42
! peak number c 2397 F1= 1.267 F2= 1.482 null null d= 3.2
assi (( resid 39 and name HB1
))
(( resid 39 and name HG*
))
3.2 1.28 1.28
! peak number c 2392 F1= 9.054 F2= 1.482 null null d= 3.4
assi (( resid 39 and name HB1
))
(( resid 39 and name HN
))
3.4 1.44 1.44
! peak number c 2395 F1= 4.791 F2= 1.474 null null d= 4.2
assi (( resid 39 and name HB1
))
(( resid 40 and name HA
))
4.2 2.21 2.21
! peak number c 2396 F1= 1.245 F2= 1.701 null null d= 3.3
assi (( resid 39 and name HB2
))
(( resid 39 and name HG*
))
3.3 1.36 1.36
! peak number c 2391 F1= 9.058 F2= 1.701 null null d= 3.7
assi (( resid 39 and name HB2
))
(( resid 39 and name HN
))
3.7 1.67 1.67
! peak number c 2411 F1= 1.371 F2= 1.586 null null d= 2.7
assi (( resid 39 and name HD1
))
(( resid 39 and name HD2
))
2.7 0.91 0.91
! peak number c 2413 F1= 2.703 F2= 1.353 null null d= 3.2
assi (( resid 39 and name HD1
))
(( resid 39 and name HE1
))
3.2 1.32 1.32
! peak number c 2414 F1= 2.862 F2= 1.355 null null d= 3.2
assi (( resid 39 and name HD1
))
(( resid 39 and name HE2
))
3.2 1.24 1.24
! peak number c 2417 F1= 1.238 F2= 1.365 null null d= 3.2
assi (( resid 39 and name HD1
))
(( resid 39 and name HG*
))
3.2 1.28 1.28
! peak number c 2558 F1= 1.350 F2= 2.198 null null d= 4.4
assi (( resid 39 and name HD1
))
(( resid 49 and name HB1
))
4.4 2.42 2.42
! peak number c 2415 F1= 2.685 F2= 1.611 null null d= 3.5
assi (( resid 39 and name HD2
))
(( resid 39 and name HE1
))
3.5 1.49 1.49
! peak number c 2416 F1= 2.865 F2= 1.591 null null d= 3.6
assi (( resid 39 and name HD2
))
(( resid 39 and name HE2
))
3.6 1.62 1.62
! peak number c 2418 F1= 1.245 F2= 1.576 null null d= 2.4
assi (( resid 39 and name HD2
))
(( resid 39 and name HG*
))
2.4 0.72 0.72
! peak number c 2429 F1= 2.698 F2= 2.859 null null d= 2.4
assi (( resid 39 and name HE1
))
(( resid 39 and name HE2
))
2.4 0.72 0.72
! peak number c 2406 F1= 2.688 F2= 1.241 null null d= 3.8
assi (( resid 39 and name HE1
))
(( resid 39 and name HG*
))
3.8 1.80 1.80
! peak number c 2433 F1= 9.052 F2= 2.694 null null d= 4.0
assi (( resid 39 and name HE1
))
(( resid 40 and name HN
))
4 2.00 2.00
! peak number c 2427 F1= 0.822 F2= 2.694 null null d= 4.4
assi (( resid 39 and name HE1
))
(( resid 41 and name HG
))
4.4 2.42 2.42
! peak number c 2424 F1= 1.812 F2= 2.698 null null d= 4.3
assi (( resid 39 and name HE1
))
(( resid 47 and name HB2) or ( resid 31 and name HB2
))
4.3 2.31 2.31
! peak number c 2960 F1= 2.108 F2= 2.729 null null d= 3.6
assi (( resid 39 and name HE1
))
(( resid 47 and name HG2
))
3.6 1.62 1.62
! peak number c 2430 F1= 4.754 F2= 2.870 null null d= 3.4
assi (( resid 39 and name HE2
))
(( resid 40 and name HA
))
3.4 1.44 1.44
! peak number c 2432 F1= 9.059 F2= 2.856 null null d= 5.1
assi (( resid 39 and name HE2
))
(( resid 40 and name HN) or ( resid 39 and name HN
))
5.09 3.25 3.25
! peak number c 2420 F1= 0.829 F2= 2.860 null null d= 4.7
assi (( resid 39 and name HE2
))
(( resid 41 and name HG) or ( resid 33 and name HG2*
))
4.7 2.76 2.76
! peak number c 3888 F1= 2.861 F2= 1.905 null null d= 4.7
assi (( resid 39 and name HE2
))
(( resid 47 and name HG1
))
4.7 2.76 2.76
! peak number c 2407 F1= 4.786 F2= 1.239 null null d= 3.0
assi (( resid 39 and name HG*
))
(( resid 40 and name HA
))
3 1.12 1.12
! peak number c 2409 F1= 9.063 F2= 1.247 null null d= 3.2
assi (( resid 39 and name HG*
))
(( resid 40 and name HN) or ( resid 39 and name HN
))
3.2 1.28 1.28
! peak number c 3793 F1= 2.121 F2= 1.248 null null d= 4.2
assi (( resid 39 and name HG*
))
(( resid 47 and name HG2
))
4.2 2.21 2.21
! peak number c 3790 F1= 8.462 F2= 1.245 null null d= 4.8
assi (( resid 39 and name HG*
))
(( resid 48 and name HN
))
4.8 2.88 2.88
! peak number c 3792 F1= 5.587 F2= 1.247 null null d= 4.0
assi (( resid 39 and name HG*
))
(( resid 49 and name HA
))
4 2.00 2.00
! peak number c 3795 F1= 9.577 F2= 1.261 null null d= 4.9
assi (( resid 39 and name HG*
))
(( resid 50 and name HN
))
4.9 3.00 3.00
! peak number c 2272 F1= 1.238 F2= 1.841 null null d= 4.6
assi (( resid 39 and name HG*) or ( resid 30 and name HG2*) or ( resid 102 and name HG1
))
(( resid 97 and name HB*) or ( resid 31 and name HB2
))
4.59 2.64 2.64
! peak number c 167 F1= 0.973 F2= 4.764 null null d= 3.8
assi (( resid 40 and name HA
))
(( resid 40 and name HB1
))
3.8 1.81 1.81
! peak number c 170 F1= 1.418 F2= 4.780 null null d= 4.0
assi (( resid 40 and name HA
))
(( resid 40 and name HB2
))
4 1.95 1.95
! peak number c 3909 F1= 4.778 F2= 0.399 null null d= 3.0
assi (( resid 40 and name HA
))
(( resid 40 and name HD1*
))
3 1.12 1.12
! peak number c 166 F1= 0.402 F2= 4.767 null null d= 3.7
assi (( resid 40 and name HA
))
(( resid 40 and name HD1*) or ( resid 14 and name HG1*
))
3.7 1.71 1.71
! peak number c 165 F1= 0.169 F2= 4.771 null null d= 4.5
assi (( resid 40 and name HA
))
(( resid 40 and name HD2*
))
4.5 2.53 2.53
! peak number c 169 F1= 1.264 F2= 4.775 null null d= 4.8
assi (( resid 40 and name HA
))
(( resid 40 and name HG) or ( resid 39 and name HG*
))
4.8 2.88 2.88
! peak number n 5 F1= 4.783 F2= 9.093 null null d= 2.9
assi (( resid 40 and name HA
))
(( resid 40 and name HN
))
2.9 0.72 0.72
! peak number n 1285 F1= 4.795 F2= 8.454 null null d= 2.9
assi (( resid 40 and name HA
))
(( resid 41 and name HN
))
2.9 0.72 0.72
! peak number c 79 F1= 0.870 F2= 4.793 null null d= 3.6
assi (( resid 40 and name HA) or ( resid 21 and name HA
))
(( resid 41 and name HG) or ( resid 113 and name HD2*
))
3.6 1.62 1.62
! peak number c 2436 F1= 1.023 F2= 1.422 null null d= 2.8
assi (( resid 40 and name HB1
))
(( resid 40 and name HB2
))
2.8 0.95 0.95
! peak number c 2438 F1= 0.403 F2= 1.005 null null d= 3.3
assi (( resid 40 and name HB1
))
(( resid 40 and name HD1*
))
3.3 1.40 1.40
! peak number c 2439 F1= 0.162 F2= 1.006 null null d= 4.0
assi (( resid 40 and name HB1
))
(( resid 40 and name HD2*
))
4 2.00 2.00
! peak number c 2448 F1= 1.272 F2= 1.004 null null d= 3.3
assi (( resid 40 and name HB1
))
(( resid 40 and name HG
))
3.3 1.36 1.36
! peak number c 2444 F1= 9.068 F2= 1.006 null null d= 3.5
assi (( resid 40 and name HB1
))
(( resid 40 and name HN
))
3.5 1.58 1.58
! peak number c 2445 F1= 8.435 F2= 1.005 null null d= 3.9
assi (( resid 40 and name HB1
))
(( resid 41 and name HN
))
3.9 1.90 1.90
! peak number c 2435 F1= 0.402 F2= 1.421 null null d= 3.6
assi (( resid 40 and name HB2
))
(( resid 40 and name HD1*
))
3.6 1.62 1.62
! peak number c 2434 F1= 0.172 F2= 1.418 null null d= 4.3
assi (( resid 40 and name HB2
))
(( resid 40 and name HD2*
))
4.3 2.31 2.31
! peak number c 3813 F1= 1.302 F2= 1.421 null null d= 3.1
assi (( resid 40 and name HB2
))
(( resid 40 and name HG
))
3.1 1.20 1.20
! peak number c 2443 F1= 9.072 F2= 1.412 null null d= 3.3
assi (( resid 40 and name HB2
))
(( resid 40 and name HN
))
3.3 1.36 1.36
! peak number c 2442 F1= 8.439 F2= 1.425 null null d= 4.0
assi (( resid 40 and name HB2
))
(( resid 41 and name HN
))
4 2.00 2.00
! peak number c 3900 F1= 0.194 F2= 0.398 null null d= 2.8
assi (( resid 40 and name HD1*
))
(( resid 40 and name HD2*
))
2.8 0.98 0.98
! peak number c 2450 F1= 0.409 F2= 1.273 null null d= 3.0
assi (( resid 40 and name HD1*
))
(( resid 40 and name HG
))
3 1.12 1.12
! peak number c 3914 F1= 9.067 F2= 0.400 null null d= 3.7
assi (( resid 40 and name HD1*
))
(( resid 40 and name HN
))
3.7 1.71 1.71
! peak number c 3916 F1= 1.649 F2= 0.398 null null d= 3.1
assi (( resid 40 and name HD1*
))
(( resid 41 and name HB2
))
3.1 1.20 1.20
! peak number c 3910 F1= 7.082 F2= 0.400 null null d= 5.0
assi (( resid 40 and name HD1*
))
(( resid 42 and name HZ
))
5 3.12 3.12
! peak number c 3917 F1= 1.915 F2= 0.398 null null d= 3.8
assi (( resid 40 and name HD1*
))
(( resid 47 and name HG1
))
3.8 1.80 1.80
! peak number c 202 F1= 0.417 F2= 4.611 null null d= 4.8
assi (( resid 40 and name HD1*
))
(( resid 48 and name HA
))
4.8 2.88 2.88
! peak number c 3907 F1= 2.934 F2= 0.398 null null d= 4.0
assi (( resid 40 and name HD1*
))
(( resid 48 and name HB2
))
4 2.00 2.00
! peak number c 3913 F1= 8.435 F2= 0.400 null null d= 3.8
assi (( resid 40 and name HD1*
))
(( resid 49 and name HN) or ( resid 41 and name HN
))
3.8 1.76 1.76
! peak number c 3905 F1= 2.071 F2= 0.398 null null d= 3.2
assi (( resid 40 and name HD1*
))
(( resid 50 and name HB) or ( resid 47 and name HG2
))
3.2 1.28 1.28
! peak number c 2589 F1= 0.405 F2= 1.274 null null d= 3.2
assi (( resid 40 and name HD1*
))
(( resid 50 and name HG1*
))
3.2 1.28 1.28
! peak number c 3915 F1= 9.561 F2= 0.398 null null d= 3.9
assi (( resid 40 and name HD1*
))
(( resid 50 and name HN
))
3.9 1.90 1.90
! peak number c 2449 F1= 0.184 F2= 1.271 null null d= 3.3
assi (( resid 40 and name HD2*
))
(( resid 40 and name HG
))
3.3 1.36 1.36
! peak number n 1009 F1= 0.208 F2= 8.452 null null d= 3.6
assi (( resid 40 and name HD2*
))
(( resid 41 and name HN
))
3.6 1.62 1.62
! peak number c 1167 F1= 0.181 F2= 7.598 null null d= 5.9 dist trop loin
! peak number c 2588 F1= 0.192 F2= 1.275 null null d= 3.6
assi (( resid 40 and name HD2*
))
(( resid 50 and name HG1*
))
3.6 1.62 1.62
! peak number c 2600 F1= 0.197 F2= 1.074 null null d= 3.3
assi (( resid 40 and name HD2*
))
(( resid 50 and name HG2*
))
3.3 1.36 1.36
! peak number c 3598 F1= 9.050 F2= 1.263 null null d= 3.8
assi (( resid 40 and name HG
))
(( resid 40 and name HN
))
3.8 1.80 1.80
! peak number c 2452 F1= 8.425 F2= 1.274 null null d= 4.5
assi (( resid 40 and name HG
))
(( resid 41 and name HN
))
4.5 2.53 2.53
! peak number c 2529 F1= 1.288 F2= 2.103 null null d= 4.0
assi (( resid 40 and name HG
))
(( resid 47 and name HG2
))
4 2.00 2.00
! peak number n 705 F1= 1.284 F2= 8.470 null null d= 3.7
assi (( resid 40 and name HG
))
(( resid 48 and name HN
))
3.7 1.71 1.71
! peak number c 2451 F1= 1.044 F2= 1.265 null null d= 3.5
assi (( resid 40 and name HG
))
(( resid 50 and name HG2*
))
3.5 1.53 1.53
! peak number c 3600 F1= 9.591 F2= 1.263 null null d= 5.3
assi (( resid 40 and name HG
))
(( resid 50 and name HN
))
5.3 3.51 3.51
! peak number c 2454 F1= 4.732 F2= 1.261 null null d= 4.7
assi (( resid 40 and name HG
))
(( resid 51 and name HA
))
4.7 2.76 2.76
! peak number c 206 F1= 1.246 F2= 5.584 null null d= 4.3
assi (( resid 40 and name HG) or ( resid 39 and name HG*
))
(( resid 49 and name HA
))
4.3 2.31 2.31
! peak number n 699 F1= 9.088 F2= 8.481 null null d= 3.3
assi (( resid 40 and name HN
))
(( resid 48 and name HN
))
3.3 0.84 0.84
! peak number n 7 F1= 5.603 F2= 9.093 null null d= 2.9
assi (( resid 40 and name HN
))
(( resid 49 and name HA
))
2.9 0.72 0.72
! peak number n 1267 F1= 9.601 F2= 9.089 null null d= 3.7
assi (( resid 40 and name HN
))
(( resid 50 and name HN
))
3.7 0.93 0.93
! peak number c 173 F1= 1.384 F2= 4.820 null null d= 4.2
assi (( resid 41 and name HA
))
(( resid 41 and name HB1
))
4.2 2.15 2.15
! peak number c 2457 F1= 4.784 F2= 1.644 null null d= 3.6
assi (( resid 41 and name HA
))
(( resid 41 and name HB2
))
3.6 1.62 1.62
! peak number c 172 F1= 0.842 F2= 4.827 null null d= 3.0
assi (( resid 41 and name HA
))
(( resid 41 and name HG
))
3 1.12 1.12
! peak number c 2487 F1= 4.795 F2= 3.366 null null d= 5.1
assi (( resid 41 and name HA
))
(( resid 42 and name HB1
))
5.09 3.25 3.25
! peak number c 2488 F1= 4.763 F2= 3.487 null null d= 4.1
assi (( resid 41 and name HA
))
(( resid 42 and name HB2
))
4.09 2.10 2.10
! peak number c 1085 F1= 4.819 F2= 7.345 null null d= 4.9
assi (( resid 41 and name HA
))
(( resid 42 and name HD*
))
4.9 3.00 3.00
! peak number c 1084 F1= 4.801 F2= 7.597 null null d= 5.9 dist trop loin
! peak number c 2532 F1= 4.786 F2= 1.909 null null d= 3.7
assi (( resid 41 and name HA
))
(( resid 47 and name HG1
))
3.7 1.71 1.71
! peak number c 2545 F1= 4.772 F2= 2.638 null null d= 4.1
assi (( resid 41 and name HA
))
(( resid 48 and name HB1
))
4.09 2.10 2.10
! peak number c 2546 F1= 4.775 F2= 2.913 null null d= 4.1
assi (( resid 41 and name HA) or ( resid 40 and name HA
))
(( resid 48 and name HB2
))
4.09 2.10 2.10
! peak number c 201 F1= 4.799 F2= 4.626 null null d= 4.3
assi (( resid 41 and name HA) or ( resid 40 and name HA) or ( resid 17 and name HA
))
(( resid 48 and name HA) or ( resid 23 and name HA
))
4.3 2.31 2.31
! peak number c 2464 F1= 1.394 F2= 1.644 null null d= 3.1
assi (( resid 41 and name HB1
))
(( resid 41 and name HB2
))
3.1 1.20 1.20
! peak number c 2461 F1= 0.838 F2= 1.368 null null d= 2.6
assi (( resid 41 and name HB1
))
(( resid 41 and name HG
))
2.6 0.84 0.84
! peak number c 2456 F1= 8.426 F2= 1.367 null null d= 3.5
assi (( resid 41 and name HB1
))
(( resid 41 and name HN
))
3.5 1.53 1.53
! peak number n 37 F1= 1.414 F2= 9.737 null null d= 3.3
assi (( resid 41 and name HB1
))
(( resid 42 and name HN
))
3.3 1.36 1.36
! peak number c 2460 F1= 0.836 F2= 1.643 null null d= 2.5
assi (( resid 41 and name HB2
))
(( resid 41 and name HG
))
2.5 0.75 0.75
! peak number c 2455 F1= 8.436 F2= 1.651 null null d= 3.6
assi (( resid 41 and name HB2
))
(( resid 41 and name HN
))
3.6 1.62 1.62
! peak number n 1004 F1= 0.872 F2= 8.448 null null d= 3.3
assi (( resid 41 and name HG
))
(( resid 41 and name HN
))
3.3 1.36 1.36
! peak number c 2484 F1= 9.721 F2= 0.839 null null d= 3.0
assi (( resid 41 and name HG
))
(( resid 42 and name HN
))
3 1.12 1.12
! peak number c 2476 F1= 3.594 F2= 0.834 null null d= 3.3
assi (( resid 41 and name HG
))
(( resid 45 and name HA1
))
3.3 1.36 1.36
! peak number c 38 F1= 0.846 F2= 4.392 null null d= 3.4
assi (( resid 41 and name HG
))
(( resid 45 and name HA2
))
3.4 1.44 1.44
! peak number n 316 F1= 0.877 F2= 8.431 null null d= 3.1
assi (( resid 41 and name HG
))
(( resid 45 and name HN
))
3.1 1.20 1.20
! peak number c 2483 F1= 8.430 F2= 0.837 null null d= 3.1
assi (( resid 41 and name HG
))
(( resid 45 and name HN) or ( resid 41 and name HN
))
3.1 1.20 1.20
! peak number n 1146 F1= 0.855 F2= 7.826 null null d= 3.4
assi (( resid 41 and name HG
))
(( resid 46 and name HN
))
3.4 1.44 1.44
! peak number c 192 F1= 0.841 F2= 5.641 null null d= 3.6
assi (( resid 41 and name HG
))
(( resid 47 and name HA
))
3.6 1.67 1.67
! peak number c 2516 F1= 0.824 F2= 1.770 null null d= 3.1
assi (( resid 41 and name HG
))
(( resid 47 and name HB1
))
3.1 1.20 1.20
! peak number c 2473 F1= 1.853 F2= 0.833 null null d= 2.3
assi (( resid 41 and name HG
))
(( resid 47 and name HB2
))
2.29 0.66 0.66
! peak number c 2525 F1= 0.825 F2= 1.906 null null d= 3.9
assi (( resid 41 and name HG
))
(( resid 47 and name HG1
))
3.9 1.90 1.90
! peak number c 2472 F1= 2.104 F2= 0.835 null null d= 3.5
assi (( resid 41 and name HG
))
(( resid 47 and name HG2
))
3.5 1.58 1.58
! peak number n 703 F1= 0.867 F2= 8.476 null null d= 3.5
assi (( resid 41 and name HG
))
(( resid 48 and name HN
))
3.5 1.53 1.53
! peak number c 178 F1= 3.469 F2= 4.840 null null d= 4.9
assi (( resid 42 and name HA
))
(( resid 42 and name HB2
))
4.9 3.00 3.00
! peak number n 40 F1= 4.844 F2= 9.734 null null d= 2.7
assi (( resid 42 and name HA
))
(( resid 42 and name HN
))
2.7 0.68 0.68
! peak number n 1140 F1= 4.859 F2= 8.790 null null d= 3.0
assi (( resid 42 and name HA
))
(( resid 43 and name HN
))
3 0.75 0.75
! peak number n 564 F1= 4.851 F2= 8.387 null null d= 3.5
assi (( resid 42 and name HA
))
(( resid 44 and name HN
))
3.5 0.88 0.88
! peak number c 2490 F1= 7.341 F2= 3.374 null null d= 3.8
assi (( resid 42 and name HB1
))
(( resid 42 and name HD*
))
3.8 1.80 1.80
! peak number c 2492 F1= 9.723 F2= 3.361 null null d= 4.0
assi (( resid 42 and name HB1
))
(( resid 42 and name HN
))
4 2.00 2.00
! peak number n 559 F1= 3.411 F2= 8.385 null null d= 4.2
assi (( resid 42 and name HB1
))
(( resid 44 and name HN
))
4.2 2.21 2.21
! peak number c 2486 F1= 2.877 F2= 3.343 null null d= 4.6
assi (( resid 42 and name HB1
))
(( resid 46 and name HB2
))
4.59 2.64 2.64
! peak number n 1149 F1= 3.404 F2= 7.826 null null d= 3.8
assi (( resid 42 and name HB1
))
(( resid 46 and name HN
))
3.8 1.80 1.80
! peak number c 1087 F1= 3.447 F2= 7.347 null null d= 3.6
assi (( resid 42 and name HB2
))
(( resid 42 and name HD*
))
3.6 1.67 1.67
! peak number c 2491 F1= 9.704 F2= 3.480 null null d= 4.0
assi (( resid 42 and name HB2
))
(( resid 42 and name HN
))
4 2.00 2.00
! peak number n 1135 F1= 3.516 F2= 8.788 null null d= 3.3
assi (( resid 42 and name HB2
))
(( resid 43 and name HN
))
3.3 1.36 1.36
! peak number n 560 F1= 3.524 F2= 8.389 null null d= 3.7
assi (( resid 42 and name HB2
))
(( resid 44 and name HN
))
3.7 1.71 1.71
! peak number c 1086 F1= 3.455 F2= 7.596 null null d= 4.5
assi (( resid 42 and name HB2) or ( resid 25 and name HB2
))
(( resid 42 and name HE*
))
4.5 2.53 2.53
! peak number c 1079 F1= 7.344 F2= 7.597 null null d= 3.2
assi (( resid 42 and name HD*
))
(( resid 42 and name HE*
))
3.2 1.24 1.24
! peak number c 1171 F1= 9.719 F2= 7.347 null null d= 4.0
assi (( resid 42 and name HD*
))
(( resid 42 and name HN
))
4 2.05 2.05
! peak number c 1076 F1= 7.311 F2= 7.103 null null d= 4.8
assi (( resid 42 and name HD*
))
(( resid 42 and name HZ
))
4.8 2.88 2.88
! peak number n 1141 F1= 7.357 F2= 8.783 null null d= 3.5
assi (( resid 42 and name HD*
))
(( resid 43 and name HN
))
3.5 1.53 1.53
! peak number n 568 F1= 7.356 F2= 8.391 null null d= 4.1
assi (( resid 42 and name HD*
))
(( resid 44 and name HN
))
4.09 2.10 2.10
! peak number c 1170 F1= 6.567 F2= 7.347 null null d= 5.6 dist trop loin
! peak number n 1154 F1= 7.346 F2= 7.823 null null d= 3.9
assi (( resid 42 and name HD*
))
(( resid 46 and name HN
))
3.9 1.90 1.90
! peak number n 695 F1= 7.346 F2= 8.480 null null d= 3.7
assi (( resid 42 and name HD*
))
(( resid 48 and name HN
))
3.7 1.71 1.71
! peak number c 1077 F1= 7.593 F2= 7.106 null null d= 3.7
assi (( resid 42 and name HE*
))
(( resid 42 and name HZ
))
3.7 1.71 1.71
! peak number c 1169 F1= 4.509 F2= 7.597 null null d= 6.8 dist trop loin
! peak number c 1162 F1= 1.293 F2= 7.596 null null d= 5.5 dist trop loin
! peak number n 1145 F1= 9.720 F2= 8.775 null null d= 4.3
assi (( resid 42 and name HN
))
(( resid 43 and name HN
))
4.3 1.07 1.07
! peak number n 43 F1= 8.458 F2= 9.741 null null d= 3.5
assi (( resid 42 and name HN
))
(( resid 45 and name HN) or ( resid 41 and name HN
))
3.5 1.53 1.53
! peak number n 1158 F1= 9.726 F2= 7.815 null null d= 3.8
assi (( resid 42 and name HN
))
(( resid 46 and name HN
))
3.8 0.95 0.95
! peak number n 41 F1= 5.649 F2= 9.736 null null d= 3.8
assi (( resid 42 and name HN
))
(( resid 47 and name HA
))
3.8 0.95 0.95
! peak number c 2576 F1= 7.087 F2= 1.276 null null d= 4.6
assi (( resid 42 and name HZ
))
(( resid 50 and name HG1*
))
4.59 2.64 2.64
! peak number c 1173 F1= 1.272 F2= 7.103 null null d= 5.0
assi (( resid 42 and name HZ
))
(( resid 50 and name HG1*) or ( resid 40 and name HG
))
5 3.12 3.12
! peak number c 1172 F1= 1.065 F2= 7.106 null null d= 4.0
assi (( resid 42 and name HZ
))
(( resid 50 and name HG2*
))
4 2.05 2.05
! peak number c 180 F1= 3.012 F2= 4.571 null null d= 2.9
assi (( resid 43 and name HA
))
(( resid 43 and name HB1
))
2.9 1.05 1.05
! peak number c 179 F1= 2.900 F2= 4.570 null null d= 3.3
assi (( resid 43 and name HA
))
(( resid 43 and name HB2
))
3.3 1.36 1.36
! peak number n 1138 F1= 4.587 F2= 8.787 null null d= 3.1
assi (( resid 43 and name HA
))
(( resid 43 and name HN
))
3.1 0.78 0.78
! peak number c 2497 F1= 8.785 F2= 3.005 null null d= 3.8
assi (( resid 43 and name HB1
))
(( resid 43 and name HN
))
3.8 1.76 1.76
! peak number c 2498 F1= 8.770 F2= 2.918 null null d= 3.9
assi (( resid 43 and name HB2
))
(( resid 43 and name HN
))
3.9 1.85 1.85
! peak number n 1143 F1= 8.391 F2= 8.788 null null d= 3.3
assi (( resid 43 and name HN
))
(( resid 44 and name HN
))
3.3 0.82 0.82
! peak number c 184 F1= 2.981 F2= 4.597 null null d= 3.9
assi (( resid 44 and name HA
))
(( resid 44 and name HB1
))
3.9 1.90 1.90
! peak number c 185 F1= 2.596 F2= 4.599 null null d= 3.0
assi (( resid 44 and name HA
))
(( resid 44 and name HB2
))
3 1.12 1.12
! peak number n 562 F1= 4.595 F2= 8.389 null null d= 2.8
assi (( resid 44 and name HA
))
(( resid 44 and name HN
))
2.8 0.70 0.70
! peak number n 315 F1= 4.599 F2= 8.430 null null d= 3.1
assi (( resid 44 and name HA) or ( resid 43 and name HA
))
(( resid 45 and name HN
))
3.1 1.20 1.20
! peak number c 2494 F1= 2.640 F2= 2.987 null null d= 2.7
assi (( resid 44 and name HB1
))
(( resid 44 and name HB2
))
2.7 0.91 0.91
! peak number n 318 F1= 2.984 F2= 8.434 null null d= 3.6
assi (( resid 44 and name HB1
))
(( resid 45 and name HN
))
3.6 1.62 1.62
! peak number c 2496 F1= 8.382 F2= 2.997 null null d= 3.1
assi (( resid 44 and name HB1) or ( resid 43 and name HB1
))
(( resid 44 and name HN
))
3.1 1.24 1.24
! peak number c 2504 F1= 8.382 F2= 2.623 null null d= 3.2
assi (( resid 44 and name HB2
))
(( resid 44 and name HN
))
3.2 1.32 1.32
! peak number n 561 F1= 3.637 F2= 8.390 null null d= 4.0
assi (( resid 44 and name HN
))
(( resid 45 and name HA1) or ( resid 27 and name HA2
))
4 2.00 2.00
! peak number n 569 F1= 7.814 F2= 8.386 null null d= 4.3
assi (( resid 44 and name HN
))
(( resid 46 and name HN
))
4.3 1.07 1.07
! peak number n 313 F1= 3.647 F2= 8.431 null null d= 2.6
assi (( resid 45 and name HA1
))
(( resid 45 and name HN
))
2.6 0.65 0.65
! peak number n 1150 F1= 3.650 F2= 7.826 null null d= 3.4
assi (( resid 45 and name HA1
))
(( resid 46 and name HN
))
3.4 0.85 0.85
! peak number n 314 F1= 4.421 F2= 8.427 null null d= 2.7
assi (( resid 45 and name HA2
))
(( resid 45 and name HN
))
2.7 0.68 0.68
! peak number n 1151 F1= 4.413 F2= 7.822 null null d= 3.6
assi (( resid 45 and name HA2
))
(( resid 46 and name HN
))
3.6 0.90 0.90
! peak number n 1157 F1= 8.414 F2= 7.822 null null d= 2.8
assi (( resid 45 and name HN
))
(( resid 46 and name HN
))
2.8 0.71 0.71
! peak number c 188 F1= 2.765 F2= 4.493 null null d= 4.0
assi (( resid 46 and name HA
))
(( resid 46 and name HB1
))
4 2.00 2.00
! peak number c 189 F1= 2.908 F2= 4.493 null null d= 3.6
assi (( resid 46 and name HA
))
(( resid 46 and name HB2
))
3.6 1.62 1.62
! peak number c 1013 F1= 4.496 F2= 6.570 null null d= 3.3
assi (( resid 46 and name HA
))
(( resid 46 and name HD*
))
3.3 1.36 1.36
! peak number c 1019 F1= 4.510 F2= 6.134 null null d= 4.8
assi (( resid 46 and name HA
))
(( resid 46 and name HE*
))
4.8 2.88 2.88
! peak number n 1152 F1= 4.520 F2= 7.824 null null d= 3.0
assi (( resid 46 and name HA
))
(( resid 46 and name HN
))
3 0.75 0.75
! peak number n 77 F1= 4.519 F2= 7.503 null null d= 2.4
assi (( resid 46 and name HA
))
(( resid 47 and name HN
))
2.4 0.60 0.60
! peak number c 1014 F1= 2.791 F2= 6.570 null null d= 3.3
assi (( resid 46 and name HB1
))
(( resid 46 and name HD*
))
3.3 1.36 1.36
! peak number c 2510 F1= 7.797 F2= 2.775 null null d= 3.3
assi (( resid 46 and name HB1
))
(( resid 46 and name HN
))
3.3 1.40 1.40
! peak number n 1222 F1= 2.807 F2= 7.500 null null d= 3.7
assi (( resid 46 and name HB1
))
(( resid 47 and name HN
))
3.7 1.71 1.71
! peak number c 1015 F1= 2.930 F2= 6.570 null null d= 3.6
assi (( resid 46 and name HB2
))
(( resid 46 and name HD*
))
3.6 1.62 1.62
! peak number c 1020 F1= 2.919 F2= 6.136 null null d= 3.6
assi (( resid 46 and name HB2
))
(( resid 46 and name HE*
))
3.6 1.62 1.62
! peak number n 1148 F1= 2.926 F2= 7.823 null null d= 2.9
assi (( resid 46 and name HB2
))
(( resid 46 and name HN
))
2.9 1.05 1.05
! peak number n 76 F1= 2.936 F2= 7.503 null null d= 3.3
assi (( resid 46 and name HB2
))
(( resid 47 and name HN
))
3.3 1.36 1.36
! peak number c 1011 F1= 6.126 F2= 6.570 null null d= 2.6
assi (( resid 46 and name HD*
))
(( resid 46 and name HE*
))
2.6 0.85 0.85
! peak number c 1016 F1= 7.803 F2= 6.571 null null d= 3.6
assi (( resid 46 and name HD*
))
(( resid 46 and name HN
))
3.6 1.67 1.67
! peak number c 1204 F1= 7.496 F2= 6.571 null null d= 3.4
assi (( resid 46 and name HD*
))
(( resid 47 and name HN
))
3.4 1.40 1.40
! peak number n 1284 F1= 6.128 F2= 7.503 null null d= 3.9
assi (( resid 46 and name HE*
))
(( resid 47 and name HN
))
3.9 1.90 1.90
! peak number c 1211 F1= 2.627 F2= 6.133 null null d= 4.3
assi (( resid 46 and name HE*
))
(( resid 48 and name HB1
))
4.3 2.37 2.37
! peak number n 1155 F1= 7.495 F2= 7.821 null null d= 3.7
assi (( resid 46 and name HN
))
(( resid 47 and name HN
))
3.7 0.93 0.93
! peak number c 193 F1= 1.757 F2= 5.639 null null d= 3.5
assi (( resid 47 and name HA
))
(( resid 47 and name HB1
))
3.5 1.58 1.58
! peak number c 195 F1= 1.851 F2= 5.642 null null d= 3.5
assi (( resid 47 and name HA
))
(( resid 47 and name HB2
))
3.5 1.58 1.58
! peak number c 197 F1= 1.917 F2= 5.645 null null d= 4.5
assi (( resid 47 and name HA
))
(( resid 47 and name HG1
))
4.5 2.53 2.53
! peak number c 194 F1= 2.107 F2= 5.641 null null d= 4.0
assi (( resid 47 and name HA
))
(( resid 47 and name HG2
))
4 1.95 1.95
! peak number n 78 F1= 5.647 F2= 7.504 null null d= 3.2
assi (( resid 47 and name HA
))
(( resid 47 and name HN
))
3.2 0.80 0.80
! peak number n 692 F1= 5.650 F2= 8.478 null null d= 2.4
assi (( resid 47 and name HA
))
(( resid 48 and name HN
))
2.4 0.60 0.60
! peak number c 2524 F1= 2.102 F2= 1.759 null null d= 3.5
assi (( resid 47 and name HB1
))
(( resid 47 and name HG2
))
3.5 1.53 1.53
! peak number c 2519 F1= 7.490 F2= 1.758 null null d= 3.4
assi (( resid 47 and name HB1
))
(( resid 47 and name HN
))
3.4 1.44 1.44
! peak number c 2522 F1= 8.466 F2= 1.760 null null d= 3.6
assi (( resid 47 and name HB1
))
(( resid 48 and name HN
))
3.6 1.67 1.67
! peak number c 2523 F1= 2.100 F2= 1.821 null null d= 3.0
assi (( resid 47 and name HB2
))
(( resid 47 and name HG2
))
3 1.12 1.12
! peak number c 2520 F1= 7.493 F2= 1.835 null null d= 3.3
assi (( resid 47 and name HB2
))
(( resid 47 and name HN
))
3.3 1.36 1.36
! peak number c 2521 F1= 8.477 F2= 1.823 null null d= 3.8
assi (( resid 47 and name HB2
))
(( resid 48 and name HN
))
3.8 1.76 1.76
! peak number c 2528 F1= 2.101 F2= 1.905 null null d= 2.7
assi (( resid 47 and name HG1
))
(( resid 47 and name HG2
))
2.7 0.88 0.88
! peak number c 2536 F1= 8.452 F2= 1.911 null null d= 3.7
assi (( resid 47 and name HG1
))
(( resid 48 and name HN
))
3.7 1.71 1.71
! peak number c 2538 F1= 7.504 F2= 2.103 null null d= 4.3
assi (( resid 47 and name HG2
))
(( resid 47 and name HN
))
4.3 2.31 2.31
! peak number c 2537 F1= 8.466 F2= 2.095 null null d= 3.8
assi (( resid 47 and name HG2
))
(( resid 48 and name HN
))
3.8 1.76 1.76
! peak number n 696 F1= 7.499 F2= 8.475 null null d= 4.0
assi (( resid 47 and name HN
))
(( resid 48 and name HN
))
4 1.00 1.00
! peak number c 198 F1= 2.623 F2= 4.626 null null d= 3.2
assi (( resid 48 and name HA
))
(( resid 48 and name HB1
))
3.2 1.24 1.24
! peak number c 199 F1= 2.897 F2= 4.623 null null d= 3.1
assi (( resid 48 and name HA
))
(( resid 48 and name HB2
))
3.1 1.20 1.20
! peak number n 694 F1= 4.646 F2= 8.479 null null d= 3.1
assi (( resid 48 and name HA
))
(( resid 48 and name HN
))
3.1 0.78 0.78
! peak number n 1018 F1= 4.641 F2= 8.434 null null d= 2.5
assi (( resid 48 and name HA
))
(( resid 49 and name HN
))
2.5 0.62 0.62
! peak number c 2539 F1= 2.636 F2= 2.903 null null d= 2.6
assi (( resid 48 and name HB1
))
(( resid 48 and name HB2
))
2.6 0.85 0.85
! peak number c 2544 F1= 8.420 F2= 2.626 null null d= 3.3
assi (( resid 48 and name HB1
))
(( resid 49 and name HN
))
3.3 1.36 1.36
! peak number c 2543 F1= 8.430 F2= 2.904 null null d= 2.9
assi (( resid 48 and name HB2
))
(( resid 49 and name HN
))
2.9 1.05 1.05
! peak number c 2586 F1= 2.905 F2= 1.276 null null d= 3.2
assi (( resid 48 and name HB2
))
(( resid 50 and name HG1*
))
3.2 1.28 1.28
! peak number c 2587 F1= 2.929 F2= 1.076 null null d= 3.5
assi (( resid 48 and name HB2
))
(( resid 50 and name HG2*
))
3.5 1.53 1.53
! peak number c 2554 F1= 2.903 F2= 2.197 null null d= 3.8
assi (( resid 48 and name HB2) or ( resid 37 and name HE2
))
(( resid 49 and name HB1
))
3.8 1.80 1.80
! peak number c 207 F1= 2.196 F2= 5.578 null null d= 4.0
assi (( resid 49 and name HA
))
(( resid 49 and name HB1
))
4 2.00 2.00
! peak number c 208 F1= 2.600 F2= 5.584 null null d= 4.0
assi (( resid 49 and name HA
))
(( resid 49 and name HB2
))
4 2.05 2.05
! peak number n 1020 F1= 5.587 F2= 8.435 null null d= 3.1
assi (( resid 49 and name HA
))
(( resid 49 and name HN
))
3.1 0.78 0.78
! peak number n 251 F1= 5.593 F2= 9.612 null null d= 2.5
assi (( resid 49 and name HA
))
(( resid 50 and name HN
))
2.5 0.62 0.62
! peak number c 2556 F1= 2.189 F2= 2.593 null null d= 3.0
assi (( resid 49 and name HB1
))
(( resid 49 and name HB2
))
3 1.12 1.12
! peak number c 2548 F1= 8.423 F2= 2.196 null null d= 3.2
assi (( resid 49 and name HB1
))
(( resid 49 and name HN
))
3.2 1.32 1.32
! peak number c 2550 F1= 9.585 F2= 2.198 null null d= 3.8
assi (( resid 49 and name HB1
))
(( resid 50 and name HN
))
3.8 1.80 1.80
! peak number c 2547 F1= 8.420 F2= 2.595 null null d= 3.4
assi (( resid 49 and name HB2
))
(( resid 49 and name HN
))
3.4 1.44 1.44
! peak number c 3867 F1= 4.573 F2= 2.581 null null d= 3.0
assi (( resid 49 and name HB2
))
(( resid 50 and name HA
))
3 1.12 1.12
! peak number c 2549 F1= 9.588 F2= 2.608 null null d= 3.8
assi (( resid 49 and name HB2
))
(( resid 50 and name HN
))
3.8 1.80 1.80
! peak number n 1025 F1= 2.640 F2= 8.431 null null d= 2.5
assi (( resid 49 and name HB2) or ( resid 48 and name HB1
))
(( resid 49 and name HN
))
2.5 0.78 0.78
! peak number n 1006 F1= 1.132 F2= 8.448 null null d= 3.0
assi (( resid 49 and name HN
))
(( resid 50 and name HG2*
))
3 1.12 1.12
! peak number n 1022 F1= 9.613 F2= 8.427 null null d= 3.5
assi (( resid 49 and name HN
))
(( resid 50 and name HN
))
3.5 0.88 0.88
! peak number n 1010 F1= 1.295 F2= 8.451 null null d= 3.8
assi (( resid 49 and name HN) or ( resid 41 and name HN
))
(( resid 50 and name HG1*) or ( resid 40 and name HG
))
3.8 1.80 1.80
! peak number c 211 F1= 2.055 F2= 4.562 null null d= 3.9
assi (( resid 50 and name HA
))
(( resid 50 and name HB
))
3.9 1.85 1.85
! peak number c 210 F1= 1.286 F2= 4.557 null null d= 3.0
assi (( resid 50 and name HA
))
(( resid 50 and name HG1*
))
3 1.16 1.16
! peak number c 209 F1= 1.088 F2= 4.560 null null d= 3.0
assi (( resid 50 and name HA
))
(( resid 50 and name HG2*
))
3 1.09 1.09
! peak number n 249 F1= 4.585 F2= 9.610 null null d= 3.2
assi (( resid 50 and name HA
))
(( resid 50 and name HN
))
3.2 0.80 0.80
! peak number n 149 F1= 4.590 F2= 9.014 null null d= 2.5
assi (( resid 50 and name HA
))
(( resid 51 and name HN
))
2.5 0.62 0.62
! peak number c 2564 F1= 1.278 F2= 2.055 null null d= 2.8
assi (( resid 50 and name HB
))
(( resid 50 and name HG1*
))
2.8 1.02 1.02
! peak number c 2563 F1= 1.080 F2= 2.058 null null d= 2.8
assi (( resid 50 and name HB
))
(( resid 50 and name HG2*
))
2.8 0.98 0.98
! peak number c 2569 F1= 9.600 F2= 2.055 null null d= 3.2
assi (( resid 50 and name HB
))
(( resid 50 and name HN
))
3.2 1.32 1.32
! peak number c 3776 F1= 2.075 F2= 1.005 null null d= 4.4
assi (( resid 50 and name HB
))
(( resid 51 and name HD2*
))
4.4 2.42 2.42
! peak number c 2568 F1= 9.001 F2= 2.059 null null d= 3.5
assi (( resid 50 and name HB
))
(( resid 51 and name HN
))
3.5 1.58 1.58
! peak number c 2591 F1= 1.082 F2= 1.271 null null d= 2.5
assi (( resid 50 and name HG1*
))
(( resid 50 and name HG2*
))
2.5 0.78 0.78
! peak number c 2570 F1= 9.595 F2= 1.272 null null d= 3.6
assi (( resid 50 and name HG1*
))
(( resid 50 and name HN
))
3.6 1.67 1.67
! peak number c 2573 F1= 9.008 F2= 1.275 null null d= 3.0
assi (( resid 50 and name HG1*
))
(( resid 51 and name HN
))
3 1.09 1.09
! peak number c 2581 F1= 5.041 F2= 1.275 null null d= 3.7
assi (( resid 50 and name HG1*
))
(( resid 54 and name HA) or ( resid 18 and name HA
))
3.7 1.71 1.71
! peak number c 3149 F1= 1.299 F2= 2.857 null null d= 2.6
assi (( resid 50 and name HG1*
))
(( resid 54 and name HB1
))
2.6 0.85 0.85
! peak number c 2585 F1= 3.388 F2= 1.275 null null d= 3.6
assi (( resid 50 and name HG1*
))
(( resid 54 and name HB2
))
3.6 1.62 1.62
! peak number c 2574 F1= 8.135 F2= 1.270 null null d= 3.8
assi (( resid 50 and name HG1*
))
(( resid 54 and name HN
))
3.8 1.76 1.76
! peak number c 2593 F1= 1.868 F2= 1.276 null null d= 2.9
assi (( resid 50 and name HG1*
))
(( resid 55 and name HB
))
2.9 1.05 1.05
! peak number c 2575 F1= 7.544 F2= 1.271 null null d= 3.8
assi (( resid 50 and name HG1*
))
(( resid 55 and name HN
))
3.8 1.85 1.85
! peak number c 2580 F1= 4.775 F2= 1.277 null null d= 3.8
assi (( resid 50 and name HG1*
))
(( resid 56 and name HA) or ( resid 40 and name HA
))
3.8 1.80 1.80
! peak number c 2657 F1= 1.290 F2= 0.652 null null d= 3.6
assi (( resid 50 and name HG1*) or ( resid 40 and name HG
))
(( resid 55 and name HD1*
))
3.6 1.62 1.62
! peak number c 2571 F1= 9.590 F2= 1.084 null null d= 3.1
assi (( resid 50 and name HG2*
))
(( resid 50 and name HN
))
3.1 1.24 1.24
! peak number c 2572 F1= 9.023 F2= 1.077 null null d= 3.5
assi (( resid 50 and name HG2*
))
(( resid 51 and name HN
))
3.5 1.53 1.53
! peak number c 215 F1= 1.826 F2= 4.720 null null d= 3.9
assi (( resid 51 and name HA
))
(( resid 51 and name HB2
))
3.9 1.90 1.90
! peak number c 214 F1= 0.962 F2= 4.718 null null d= 3.2
assi (( resid 51 and name HA
))
(( resid 51 and name HD1*
))
3.2 1.28 1.28
! peak number n 150 F1= 4.749 F2= 9.009 null null d= 3.5
assi (( resid 51 and name HA
))
(( resid 51 and name HN
))
3.5 0.88 0.88
! peak number n 323 F1= 4.742 F2= 8.995 null null d= 3.0
assi (( resid 51 and name HA
))
(( resid 52 and name HN
))
3 0.75 0.75
! peak number c 2606 F1= 1.841 F2= 1.740 null null d= 2.8
assi (( resid 51 and name HB1
))
(( resid 51 and name HB2
))
2.8 0.98 0.98
! peak number c 2610 F1= 0.980 F2= 1.735 null null d= 3.0
assi (( resid 51 and name HB1
))
(( resid 51 and name HD2*) or ( resid 51 and name HD1*
))
3 1.12 1.12
! peak number n 146 F1= 1.769 F2= 9.014 null null d= 3.4
assi (( resid 51 and name HB1
))
(( resid 51 and name HN
))
3.4 1.44 1.44
! peak number c 2601 F1= 8.999 F2= 1.746 null null d= 3.4
assi (( resid 51 and name HB1
))
(( resid 52 and name HN
))
3.4 1.44 1.44
! peak number n 433 F1= 1.767 F2= 7.963 null null d= 3.5
assi (( resid 51 and name HB1
))
(( resid 53 and name HN
))
3.5 1.53 1.53
! peak number c 2609 F1= 0.985 F2= 1.837 null null d= 2.8
assi (( resid 51 and name HB2
))
(( resid 51 and name HD2*
))
2.8 0.95 0.95
! peak number c 2602 F1= 9.008 F2= 1.842 null null d= 3.4
assi (( resid 51 and name HB2
))
(( resid 51 and name HN
))
3.4 1.44 1.44
! peak number n 326 F1= 1.850 F2= 8.990 null null d= 3.1
assi (( resid 51 and name HB2
))
(( resid 52 and name HN
))
3.1 1.20 1.20
! peak number c 2603 F1= 7.934 F2= 1.848 null null d= 4.6
assi (( resid 51 and name HB2
))
(( resid 53 and name HN
))
4.59 2.64 2.64
! peak number c 2293 F1= 1.843 F2= 3.113 null null d= 2.7
assi (( resid 51 and name HB2) or ( resid 31 and name HB2
))
(( resid 53 and name HE*) or ( resid 31 and name HD*
))
2.7 0.91 0.91
! peak number c 2613 F1= 0.977 F2= 1.841 null null d= 2.5
assi (( resid 51 and name HD1*
))
(( resid 51 and name HG
))
2.5 0.75 0.75
! peak number c 2614 F1= 8.987 F2= 0.951 null null d= 3.0
assi (( resid 51 and name HD1*
))
(( resid 51 and name HN
))
3 1.12 1.12
! peak number c 2625 F1= 8.992 F2= 1.003 null null d= 3.3
assi (( resid 51 and name HD2*
))
(( resid 52 and name HN
))
3.3 1.40 1.40
! peak number c 2622 F1= 1.640 F2= 1.003 null null d= 2.8
assi (( resid 51 and name HD2*
))
(( resid 53 and name HD*
))
2.8 0.98 0.98
! peak number c 2666 F1= 1.029 F2= 1.934 null null d= 4.3
assi (( resid 51 and name HD2*) or ( resid 40 and name HB1
))
(( resid 56 and name HB2
))
4.3 2.31 2.31
! peak number c 2611 F1= 8.990 F2= 1.843 null null d= 3.2
assi (( resid 51 and name HG
))
(( resid 51 and name HN
))
3.2 1.28 1.28
! peak number n 147 F1= 1.878 F2= 9.012 null null d= 2.6
assi (( resid 51 and name HG) or ( resid 51 and name HB2
))
(( resid 51 and name HN
))
2.6 0.85 0.85
! peak number c 2631 F1= 9.038 F2= 1.638 null null d= 3.4
assi (( resid 51 and name HN
))
(( resid 53 and name HD*
))
3.4 1.44 1.44
! peak number c 2290 F1= 9.033 F2= 3.102 null null d= 3.6
assi (( resid 51 and name HN) or ( resid 32 and name HN
))
(( resid 53 and name HE*) or ( resid 31 and name HD*
))
3.6 1.62 1.62
! peak number c 2627 F1= 8.979 F2= 3.783 null null d= 3.6
assi (( resid 52 and name HA1
))
(( resid 52 and name HN
))
3.6 0.90 0.90
! peak number c 2626 F1= 8.983 F2= 4.153 null null d= 3.5
assi (( resid 52 and name HA2
))
(( resid 52 and name HN
))
3.5 0.88 0.88
! peak number n 483 F1= 4.187 F2= 7.944 null null d= 3.0
assi (( resid 52 and name HA2
))
(( resid 53 and name HN
))
3 0.75 0.75
! peak number c 2683 F1= 4.164 F2= 0.764 null null d= 3.9
assi (( resid 52 and name HA2) or ( resid 125 and name HA
))
(( resid 57 and name HD2*
))
3.9 1.90 1.90
! peak number n 440 F1= 9.004 F2= 7.963 null null d= 3.5
assi (( resid 52 and name HN
))
(( resid 53 and name HN
))
3.5 0.88 0.88
! peak number n 329 F1= 0.641 F2= 8.999 null null d= 4.1
assi (( resid 52 and name HN
))
(( resid 55 and name HD1*) or ( resid 33 and name HG1*
))
4.09 2.10 2.10
! peak number n 432 F1= 4.330 F2= 7.964 null null d= 3.1
assi (( resid 53 and name HA
))
(( resid 53 and name HN
))
3.1 0.78 0.78
! peak number c 3739 F1= 4.367 F2= 0.776 null null d= 3.9
assi (( resid 53 and name HA
))
(( resid 57 and name HD2*
))
3.9 1.90 1.90
! peak number n 434 F1= 1.876 F2= 7.962 null null d= 2.8
assi (( resid 53 and name HB2
))
(( resid 53 and name HN
))
2.8 0.98 0.98
! peak number n 984 F1= 1.885 F2= 8.149 null null d= 3.2
assi (( resid 53 and name HB2) or ( resid 51 and name HB2
))
(( resid 54 and name HN
))
3.2 1.28 1.28
! peak number c 2635 F1= 3.115 F2= 1.642 null null d= 2.7
assi (( resid 53 and name HD*
))
(( resid 53 and name HE*
))
2.7 0.91 0.91
! peak number n 439 F1= 8.146 F2= 7.963 null null d= 3.5
assi (( resid 53 and name HN
))
(( resid 54 and name HN
))
3.5 0.86 0.86
! peak number c 222 F1= 2.861 F2= 5.075 null null d= 3.7
assi (( resid 54 and name HA
))
(( resid 54 and name HB1
))
3.7 1.71 1.71
! peak number c 223 F1= 3.384 F2= 5.078 null null d= 4.3
assi (( resid 54 and name HA
))
(( resid 54 and name HB2
))
4.3 2.37 2.37
! peak number n 981 F1= 5.090 F2= 8.146 null null d= 3.2
assi (( resid 54 and name HA
))
(( resid 54 and name HN
))
3.2 0.80 0.80
! peak number n 610 F1= 5.099 F2= 7.549 null null d= 3.3
assi (( resid 54 and name HA
))
(( resid 55 and name HN
))
3.3 0.82 0.82
! peak number c 3151 F1= 3.377 F2= 2.850 null null d= 3.7
assi (( resid 54 and name HB1
))
(( resid 54 and name HB2
))
3.7 1.71 1.71
! peak number c 2639 F1= 8.140 F2= 2.864 null null d= 3.2
assi (( resid 54 and name HB1
))
(( resid 54 and name HN
))
3.2 1.32 1.32
! peak number c 2638 F1= 8.133 F2= 3.382 null null d= 3.5
assi (( resid 54 and name HB2
))
(( resid 54 and name HN
))
3.5 1.53 1.53
! peak number n 612 F1= 8.141 F2= 7.543 null null d= 3.1
assi (( resid 54 and name HN
))
(( resid 55 and name HN
))
3.1 0.78 0.78
! peak number c 225 F1= 0.637 F2= 4.466 null null d= 3.4
assi (( resid 55 and name HA
))
(( resid 55 and name HD1*
))
3.4 1.45 1.45
! peak number n 608 F1= 4.504 F2= 7.552 null null d= 3.1
assi (( resid 55 and name HA
))
(( resid 55 and name HN
))
3.1 0.78 0.78
! peak number n 165 F1= 4.498 F2= 9.156 null null d= 3.0
assi (( resid 55 and name HA
))
(( resid 56 and name HN
))
3 0.75 0.75
! peak number c 2643 F1= 0.651 F2= 1.863 null null d= 2.6
assi (( resid 55 and name HB
))
(( resid 55 and name HD1*
))
2.6 0.85 0.85
! peak number c 2648 F1= 7.538 F2= 1.866 null null d= 3.0
assi (( resid 55 and name HB
))
(( resid 55 and name HN
))
3 1.16 1.16
! peak number c 2647 F1= 4.782 F2= 1.861 null null d= 4.1
assi (( resid 55 and name HB
))
(( resid 56 and name HA
))
4.09 2.10 2.10
! peak number c 2651 F1= 7.536 F2= 0.647 null null d= 3.9
assi (( resid 55 and name HD1*
))
(( resid 55 and name HN
))
3.9 1.90 1.90
! peak number n 163 F1= 0.674 F2= 9.158 null null d= 2.9
assi (( resid 55 and name HD1*) or ( resid 14 and name HG2*
))
(( resid 56 and name HN
))
2.9 1.05 1.05
! peak number c 2668 F1= 4.785 F2= 0.998 null null d= 4.6
assi (( resid 56 and name HA
))
(( resid 56 and name HB1
))
4.59 2.64 2.64
! peak number n 169 F1= 4.808 F2= 9.150 null null d= 3.6
assi (( resid 56 and name HA
))
(( resid 56 and name HN
))
3.6 0.90 0.90
! peak number n 99 F1= 4.813 F2= 9.374 null null d= 2.7
assi (( resid 56 and name HA
))
(( resid 57 and name HN
))
2.7 0.68 0.68
! peak number c 2665 F1= 1.932 F2= 0.991 null null d= 3.8
assi (( resid 56 and name HB1
))
(( resid 56 and name HB2
))
3.8 1.80 1.80
! peak number c 2661 F1= 0.561 F2= 0.989 null null d= 3.9
assi (( resid 56 and name HB1
))
(( resid 56 and name HD1*
))
3.9 1.90 1.90
! peak number c 2660 F1= 0.141 F2= 0.986 null null d= 4.1
assi (( resid 56 and name HB1
))
(( resid 56 and name HD2*
))
4.09 2.10 2.10
! peak number c 22 F1= 1.010 F2= 4.392 null null d= 4.2
assi (( resid 56 and name HB1) or ( resid 10 and name HG2*
))
(( resid 8 and name HA) or ( resid 53 and name HA
))
4.2 2.21 2.21
! peak number c 1130 F1= 0.996 F2= 7.145 null null d= 3.9
assi (( resid 56 and name HB1) or ( resid 10 and name HG2*
))
(( resid 9 and name HD*) or ( resid 24 and name HD*
))
3.9 1.90 1.90
! peak number c 1129 F1= 0.964 F2= 7.280 null null d= 4.0
assi (( resid 56 and name HB1) or ( resid 10 and name HG2*
))
(( resid 9 and name HE*
))
4 2.00 2.00
! peak number c 2662 F1= 0.542 F2= 1.959 null null d= 3.9
assi (( resid 56 and name HB2
))
(( resid 56 and name HD1*
))
3.9 1.90 1.90
! peak number c 2659 F1= 0.138 F2= 1.959 null null d= 3.9
assi (( resid 56 and name HB2
))
(( resid 56 and name HD2*
))
3.9 1.90 1.90
! peak number n 168 F1= 1.989 F2= 9.160 null null d= 3.9
assi (( resid 56 and name HB2
))
(( resid 56 and name HN
))
3.9 1.90 1.90
! peak number n 1296 F1= 0.592 F2= 9.162 null null d= 4.0
assi (( resid 56 and name HD1*
))
(( resid 56 and name HN
))
4 2.00 2.00
! peak number n 167 F1= 1.883 F2= 9.162 null null d= 3.7
assi (( resid 56 and name HN
))
(( resid 58 and name HB1) or ( resid 55 and name HB) or ( resid 15 and name HB
))
3.7 1.71 1.71
! peak number c 234 F1= 1.868 F2= 4.424 null null d= 3.6
assi (( resid 57 and name HA
))
(( resid 57 and name HB1
))
3.6 1.62 1.62
! peak number c 2672 F1= 4.437 F2= 1.632 null null d= 4.5
assi (( resid 57 and name HA
))
(( resid 57 and name HB2
))
4.5 2.53 2.53
! peak number c 236 F1= 0.787 F2= 4.419 null null d= 4.1
assi (( resid 57 and name HA
))
(( resid 57 and name HD2*
))
4.09 2.10 2.10
! peak number c 233 F1= 1.590 F2= 4.426 null null d= 4.6
assi (( resid 57 and name HA
))
(( resid 57 and name HG
))
4.59 2.64 2.64
! peak number n 98 F1= 4.453 F2= 9.370 null null d= 3.2
assi (( resid 57 and name HA
))
(( resid 57 and name HN
))
3.2 0.80 0.80
! peak number n 671 F1= 4.441 F2= 7.405 null null d= 2.5
assi (( resid 57 and name HA
))
(( resid 58 and name HN
))
2.5 0.62 0.62
! peak number c 2644 F1= 1.638 F2= 1.859 null null d= 2.9
assi (( resid 57 and name HB1
))
(( resid 57 and name HB2
))
2.9 1.02 1.02
! peak number c 2686 F1= 1.864 F2= 0.773 null null d= 3.1
assi (( resid 57 and name HB1
))
(( resid 57 and name HD2*
))
3.1 1.20 1.20
! peak number c 2649 F1= 9.357 F2= 1.859 null null d= 3.4
assi (( resid 57 and name HB1
))
(( resid 57 and name HN
))
3.4 1.45 1.45
! peak number c 2670 F1= 0.726 F2= 1.636 null null d= 3.3
assi (( resid 57 and name HB2
))
(( resid 57 and name HD1*
))
3.3 1.36 1.36
! peak number c 2673 F1= 9.363 F2= 1.628 null null d= 3.7
assi (( resid 57 and name HB2
))
(( resid 57 and name HN
))
3.7 1.67 1.67
! peak number c 28 F1= 1.637 F2= 4.651 null null d= 4.5
assi (( resid 57 and name HB2
))
(( resid 9 and name HA
))
4.5 2.53 2.53
! peak number c 1128 F1= 0.704 F2= 7.284 null null d= 4.0
assi (( resid 57 and name HD1*
))
(( resid 9 and name HE*
))
4 2.00 2.00
! peak number c 2685 F1= 1.587 F2= 0.777 null null d= 2.9
assi (( resid 57 and name HD2*
))
(( resid 57 and name HG
))
2.9 1.05 1.05
! peak number c 3883 F1= 9.345 F2= 0.771 null null d= 4.1
assi (( resid 57 and name HD2*
))
(( resid 57 and name HN
))
4.09 2.10 2.10
! peak number c 2682 F1= 7.250 F2= 0.772 null null d= 3.3
assi (( resid 57 and name HD2*
))
(( resid 9 and name HZ) or ( resid 9 and name HE*
))
3.3 1.36 1.36
! peak number n 94 F1= 1.585 F2= 9.375 null null d= 3.2
assi (( resid 57 and name HG
))
(( resid 57 and name HN
))
3.2 1.28 1.28
! peak number n 682 F1= 9.369 F2= 7.405 null null d= 4.2
assi (( resid 57 and name HN
))
(( resid 58 and name HN
))
4.2 1.05 1.05
! peak number c 2693 F1= 4.276 F2= 1.832 null null d= 3.1
assi (( resid 58 and name HA
))
(( resid 58 and name HB1
))
3.1 1.20 1.20
! peak number c 2692 F1= 4.261 F2= 2.185 null null d= 3.3
assi (( resid 58 and name HA
))
(( resid 58 and name HB2
))
3.3 1.36 1.36
! peak number n 670 F1= 4.275 F2= 7.413 null null d= 3.1
assi (( resid 58 and name HA
))
(( resid 58 and name HN
))
3.1 0.78 0.78
! peak number n 1064 F1= 4.277 F2= 8.152 null null d= 2.4
assi (( resid 58 and name HA
))
(( resid 59 and name HN
))
2.4 0.60 0.60
! peak number c 2694 F1= 2.185 F2= 1.834 null null d= 2.7
assi (( resid 58 and name HB1
))
(( resid 58 and name HB2
))
2.7 0.91 0.91
! peak number c 2691 F1= 7.385 F2= 1.838 null null d= 3.5
assi (( resid 58 and name HB1
))
(( resid 58 and name HN
))
3.5 1.49 1.49
! peak number c 2690 F1= 8.103 F2= 1.837 null null d= 3.9
assi (( resid 58 and name HB1
))
(( resid 59 and name HN
))
3.9 1.85 1.85
! peak number c 2688 F1= 7.384 F2= 2.185 null null d= 3.9
assi (( resid 58 and name HB2
))
(( resid 58 and name HN
))
3.9 1.90 1.90
! peak number c 2689 F1= 8.117 F2= 2.190 null null d= 4.0
assi (( resid 58 and name HB2
))
(( resid 59 and name HN
))
4 2.05 2.05
! peak number c 2697 F1= 1.079 F2= 2.183 null null d= 3.8
assi (( resid 58 and name HB2
))
(( resid 60 and name HG*
))
3.8 1.80 1.80
! peak number c 3876 F1= 0.517 F2= 2.183 null null d= 4.9
assi (( resid 58 and name HB2
))
(( resid 61 and name HG1*
))
4.9 3.00 3.00
! peak number n 1065 F1= 4.491 F2= 8.151 null null d= 3.6
assi (( resid 59 and name HA
))
(( resid 59 and name HN
))
3.6 0.90 0.90
! peak number c 246 F1= 4.477 F2= 4.637 null null d= 3.8
assi (( resid 59 and name HA
))
(( resid 60 and name HA
))
3.8 0.95 0.95
! peak number c 237 F1= 3.278 F2= 4.493 null null d= 4.3
assi (( resid 59 and name HA
))
(( resid 60 and name HD*
))
4.3 2.31 2.31
! peak number c 1324 F1= 4.480 F2= 7.602 null null d= 3.8
assi (( resid 59 and name HA
))
(( resid 84 and name HE1
))
3.8 1.80 1.80
! peak number c 238 F1= 3.012 F2= 4.494 null null d= 3.7
assi (( resid 59 and name HA) or ( resid 117 and name HA
))
(( resid 59 and name HB1) or ( resid 117 and name HB2
))
3.7 1.71 1.71
! peak number c 239 F1= 2.839 F2= 4.497 null null d= 3.6
assi (( resid 59 and name HA) or ( resid 117 and name HA
))
(( resid 59 and name HB2) or ( resid 117 and name HB1
))
3.6 1.62 1.62
! peak number n 1062 F1= 2.555 F2= 8.151 null null d= 2.9
assi (( resid 59 and name HB1
))
(( resid 59 and name HN
))
2.9 1.05 1.05
! peak number c 3024 F1= 2.584 F2= 1.003 null null d= 3.4
assi (( resid 59 and name HB1
))
(( resid 81 and name HG2*
))
3.4 1.44 1.44
! peak number c 3106 F1= 0.909 F2= 2.822 null null d= 2.8
assi (( resid 59 and name HB2
))
(( resid 63 and name HD2*
))
2.8 0.98 0.98
! peak number n 1066 F1= 4.617 F2= 8.169 null null d= 3.2
assi (( resid 59 and name HN) or ( resid 108 and name HN
))
(( resid 60 and name HA) or ( resid 108 and name HA
))
3.2 1.32 1.32
! peak number c 2278 F1= 4.666 F2= 1.828 null null d= 3.5
assi (( resid 60 and name HA
))
(( resid 60 and name HB1
))
3.5 1.58 1.58
! peak number c 243 F1= 1.826 F2= 4.625 null null d= 5.1
assi (( resid 60 and name HA
))
(( resid 60 and name HB1) or ( resid 58 and name HB1
))
5.09 3.25 3.25
! peak number c 244 F1= 1.966 F2= 4.617 null null d= 4.1
assi (( resid 60 and name HA
))
(( resid 60 and name HB2
))
4.09 2.10 2.10
! peak number c 242 F1= 1.082 F2= 4.613 null null d= 4.0
assi (( resid 60 and name HA
))
(( resid 60 and name HG*
))
4 2.00 2.00
! peak number c 241 F1= 0.507 F2= 4.616 null null d= 4.8
assi (( resid 60 and name HA
))
(( resid 61 and name HG1*
))
4.8 2.88 2.88
! peak number n 1200 F1= 4.635 F2= 9.008 null null d= 3.6
assi (( resid 60 and name HA
))
(( resid 61 and name HN
))
3.6 0.90 0.90
! peak number c 2707 F1= 3.284 F2= 1.802 null null d= 3.8
assi (( resid 60 and name HB1
))
(( resid 60 and name HD*
))
3.8 1.80 1.80
! peak number c 2713 F1= 1.081 F2= 1.791 null null d= 3.2
assi (( resid 60 and name HB1
))
(( resid 60 and name HG*
))
3.2 1.28 1.28
! peak number n 1198 F1= 1.825 F2= 8.997 null null d= 3.6
assi (( resid 60 and name HB1
))
(( resid 61 and name HN
))
3.6 1.62 1.62
! peak number c 2706 F1= 3.291 F2= 1.954 null null d= 3.8
assi (( resid 60 and name HB2
))
(( resid 60 and name HD*
))
3.8 1.80 1.80
! peak number c 2708 F1= 1.071 F2= 1.954 null null d= 3.2
assi (( resid 60 and name HB2
))
(( resid 60 and name HG*
))
3.2 1.32 1.32
! peak number c 2703 F1= 8.991 F2= 1.947 null null d= 4.6
assi (( resid 60 and name HB2
))
(( resid 61 and name HN
))
4.59 2.64 2.64
! peak number c 3738 F1= 1.949 F2= 0.766 null null d= 3.5
assi (( resid 60 and name HB2
))
(( resid 81 and name HG1*
))
3.5 1.53 1.53
! peak number c 1315 F1= 1.968 F2= 7.095 null null d= 4.7
assi (( resid 60 and name HB2
))
(( resid 84 and name HD2
))
4.7 2.76 2.76
! peak number c 2719 F1= 3.278 F2= 1.071 null null d= 2.5
assi (( resid 60 and name HD*
))
(( resid 60 and name HG*
))
2.5 0.78 0.78
! peak number c 2714 F1= 8.993 F2= 1.069 null null d= 5.0
assi (( resid 60 and name HG*
))
(( resid 61 and name HN
))
5 3.12 3.12
! peak number c 2715 F1= 7.590 F2= 1.071 null null d= 4.5
assi (( resid 60 and name HG*
))
(( resid 84 and name HE1
))
4.5 2.53 2.53
! peak number c 2716 F1= 7.131 F2= 1.077 null null d= 4.9
assi (( resid 60 and name HG*
))
(( resid 93 and name HD*) or ( resid 84 and name HD2
))
4.9 3.00 3.00
! peak number c 2726 F1= 3.887 F2= 1.528 null null d= 4.7
assi (( resid 61 and name HA
))
(( resid 61 and name HB
))
4.7 2.76 2.76
! peak number c 247 F1= 0.483 F2= 3.869 null null d= 4.7
assi (( resid 61 and name HA
))
(( resid 61 and name HG1*
))
4.7 2.76 2.76
! peak number c 248 F1= 0.797 F2= 3.872 null null d= 3.7
assi (( resid 61 and name HA
))
(( resid 61 and name HG2*
))
3.7 1.71 1.71
! peak number c 3944 F1= 3.874 F2= 3.310 null null d= 4.2
assi (( resid 61 and name HA
))
(( resid 62 and name HD1
))
4.2 2.21 2.21
! peak number c 3943 F1= 3.865 F2= 3.500 null null d= 4.0
assi (( resid 61 and name HA
))
(( resid 62 and name HD2
))
4 2.00 2.00
! peak number c 2867 F1= 3.876 F2= 0.465 null null d= 4.6
assi (( resid 61 and name HA
))
(( resid 67 and name HG2*
))
4.59 2.64 2.64
! peak number c 2723 F1= 0.492 F2= 1.542 null null d= 3.1
assi (( resid 61 and name HB
))
(( resid 61 and name HG1*
))
3.1 1.20 1.20
! peak number c 2724 F1= 0.771 F2= 1.540 null null d= 3.1
assi (( resid 61 and name HB
))
(( resid 61 and name HG2*
))
3.1 1.20 1.20
! peak number c 2729 F1= 8.988 F2= 1.544 null null d= 3.7
assi (( resid 61 and name HB
))
(( resid 61 and name HN
))
3.7 1.71 1.71
! peak number c 3833 F1= 1.054 F2= 1.542 null null d= 4.4
assi (( resid 61 and name HB
))
(( resid 65 and name HG2*) or ( resid 60 and name HG*
))
4.4 2.42 2.42
! peak number c 2727 F1= 4.682 F2= 1.531 null null d= 4.2
assi (( resid 61 and name HB
))
(( resid 67 and name HA) or ( resid 60 and name HA
))
4.2 2.21 2.21
! peak number c 3775 F1= 1.538 F2= 1.005 null null d= 3.7
assi (( resid 61 and name HB
))
(( resid 81 and name HG2*
))
3.7 1.71 1.71
! peak number c 1313 F1= 1.535 F2= 7.098 null null d= 5.1
assi (( resid 61 and name HB
))
(( resid 84 and name HD2
))
5.09 3.25 3.25
! peak number c 2728 F1= 7.104 F2= 1.534 null null d= 3.7
assi (( resid 61 and name HB
))
(( resid 93 and name HD*) or ( resid 24 and name HD*
))
3.7 1.71 1.71
! peak number c 2656 F1= 1.500 F2= 0.647 null null d= 3.0
assi (( resid 61 and name HB) or ( resid 16 and name HB*
))
(( resid 61 and name HD1*) or ( resid 55 and name HD1*
))
3 1.12 1.12
! peak number c 2745 F1= 9.002 F2= 0.619 null null d= 3.4
assi (( resid 61 and name HD1*
))
(( resid 61 and name HN
))
3.4 1.44 1.44
! peak number c 2655 F1= 1.896 F2= 0.647 null null d= 2.8
assi (( resid 61 and name HD1*
))
(( resid 62 and name HG1
))
2.8 0.98 0.98
! peak number c 2658 F1= 0.326 F2= 0.647 null null d= 2.6
assi (( resid 61 and name HD1*
))
(( resid 67 and name HG1*) or ( resid 125 and name HD1*
))
2.6 0.85 0.85
! peak number n 1196 F1= 0.707 F2= 8.997 null null d= 3.4
assi (( resid 61 and name HD1*) or ( resid 111 and name HD2*
))
(( resid 61 and name HN
))
3.4 1.44 1.44
! peak number c 2743 F1= 0.479 F2= 0.788 null null d= 2.4
assi (( resid 61 and name HG1*
))
(( resid 61 and name HG2*
))
2.4 0.72 0.72
! peak number n 1194 F1= 0.521 F2= 9.000 null null d= 3.3
assi (( resid 61 and name HG1*
))
(( resid 61 and name HN
))
3.3 1.36 1.36
! peak number c 2730 F1= 8.991 F2= 0.790 null null d= 3.7
assi (( resid 61 and name HG2*
))
(( resid 61 and name HN
))
3.7 1.71 1.71
! peak number c 2766 F1= 0.781 F2= 2.388 null null d= 3.8
assi (( resid 61 and name HG2*
))
(( resid 62 and name HB2
))
3.8 1.80 1.80
! peak number c 3918 F1= 3.324 F2= 0.786 null null d= 3.5
assi (( resid 61 and name HG2*
))
(( resid 62 and name HD1
))
3.5 1.49 1.49
! peak number c 3940 F1= 0.779 F2= 3.502 null null d= 3.7
assi (( resid 61 and name HG2*
))
(( resid 62 and name HD2
))
3.7 1.71 1.71
! peak number c 2740 F1= 1.851 F2= 0.788 null null d= 2.9
assi (( resid 61 and name HG2*
))
(( resid 62 and name HG2
))
2.9 1.05 1.05
! peak number c 2735 F1= 4.132 F2= 0.777 null null d= 4.2
assi (( resid 61 and name HG2*
))
(( resid 65 and name HA
))
4.2 2.21 2.21
! peak number c 2737 F1= 3.584 F2= 0.785 null null d= 3.2
assi (( resid 61 and name HG2*
))
(( resid 65 and name HB
))
3.2 1.28 1.28
! peak number c 2598 F1= 0.772 F2= 1.062 null null d= 2.4
assi (( resid 61 and name HG2*
))
(( resid 65 and name HG2*
))
2.4 0.69 0.69
! peak number c 2731 F1= 7.279 F2= 0.783 null null d= 3.5
assi (( resid 61 and name HG2*
))
(( resid 65 and name HN
))
3.5 1.53 1.53
! peak number c 3741 F1= 8.578 F2= 0.795 null null d= 5.0
assi (( resid 61 and name HG2*
))
(( resid 66 and name HN
))
5 3.12 3.12
! peak number c 2734 F1= 4.688 F2= 0.778 null null d= 4.0
assi (( resid 61 and name HG2*
))
(( resid 67 and name HA
))
4 2.00 2.00
! peak number c 2859 F1= 0.757 F2= 0.302 null null d= 2.8
assi (( resid 61 and name HG2*
))
(( resid 67 and name HG1*
))
2.8 0.98 0.98
! peak number c 2739 F1= 2.186 F2= 0.788 null null d= 4.1
assi (( resid 61 and name HG2*
))
(( resid 81 and name HB
))
4.09 2.10 2.10
! peak number c 3742 F1= 8.409 F2= 0.783 null null d= 5.0
assi (( resid 61 and name HG2*
))
(( resid 81 and name HN
))
5 3.12 3.12
! peak number c 2862 F1= 8.972 F2= 0.301 null null d= 3.5
assi (( resid 61 and name HN
))
(( resid 67 and name HG1*
))
3.5 1.53 1.53
! peak number c 2861 F1= 8.977 F2= 0.456 null null d= 4.4
assi (( resid 61 and name HN
))
(( resid 67 and name HG2*
))
4.4 2.42 2.42
! peak number c 3731 F1= 9.000 F2= 0.763 null null d= 4.6
assi (( resid 61 and name HN
))
(( resid 81 and name HG1*
))
4.59 2.64 2.64
! peak number c 3034 F1= 8.981 F2= 1.002 null null d= 3.0
assi (( resid 61 and name HN
))
(( resid 81 and name HG2*
))
3 1.12 1.12
! peak number c 1318 F1= 9.006 F2= 7.105 null null d= 4.0
assi (( resid 61 and name HN
))
(( resid 84 and name HD2
))
4 2.05 2.05
! peak number c 251 F1= 1.907 F2= 4.494 null null d= 3.2
assi (( resid 62 and name HA
))
(( resid 62 and name HB1
))
3.2 1.28 1.28
! peak number c 250 F1= 2.390 F2= 4.483 null null d= 3.0
assi (( resid 62 and name HA
))
(( resid 62 and name HB2
))
3 1.16 1.16
! peak number c 3933 F1= 4.467 F2= 1.901 null null d= 4.1
assi (( resid 62 and name HA
))
(( resid 62 and name HG1
))
4.09 2.10 2.10
! peak number c 3932 F1= 4.469 F2= 1.837 null null d= 5.2
assi (( resid 62 and name HA
))
(( resid 62 and name HG2
))
5.2 3.38 3.38
! peak number n 879 F1= 4.500 F2= 8.488 null null d= 2.7
assi (( resid 62 and name HA
))
(( resid 63 and name HN
))
2.7 0.68 0.68
! peak number c 509 F1= 3.613 F2= 4.456 null null d= 4.1
assi (( resid 62 and name HA) or ( resid 127 and name HA
))
(( resid 65 and name HB) or ( resid 127 and name HD*
))
4.09 2.10 2.10
! peak number c 3819 F1= 4.467 F2= 1.451 null null d= 4.2
assi (( resid 62 and name HA) or ( resid 57 and name HA
))
(( resid 63 and name HB1) or ( resid 12 and name HB1
))
4.2 2.21 2.21
! peak number c 2792 F1= 4.482 F2= 0.615 null null d= 3.9
assi (( resid 62 and name HA) or ( resid 59 and name HA
))
(( resid 63 and name HD1*
))
3.9 1.90 1.90
! peak number c 3848 F1= 4.472 F2= 1.731 null null d= 3.6
assi (( resid 62 and name HA) or ( resid 59 and name HA) or ( resid 117 and name HA
))
(( resid 63 and name HG) or ( resid 118 and name HG1
))
3.6 1.62 1.62
! peak number c 2763 F1= 2.396 F2= 1.906 null null d= 2.6
assi (( resid 62 and name HB1
))
(( resid 62 and name HB2
))
2.6 0.88 0.88
! peak number c 3923 F1= 3.330 F2= 1.905 null null d= 4.3
assi (( resid 62 and name HB1
))
(( resid 62 and name HD1
))
4.3 2.31 2.31
! peak number c 2753 F1= 8.481 F2= 1.899 null null d= 3.4
assi (( resid 62 and name HB1
))
(( resid 63 and name HN
))
3.4 1.40 1.40
! peak number c 3926 F1= 2.408 F2= 1.899 null null d= 4.0
assi (( resid 62 and name HB2
))
(( resid 62 and name HG1
))
4 2.00 2.00
! peak number c 3927 F1= 2.383 F2= 1.839 null null d= 4.0
assi (( resid 62 and name HB2
))
(( resid 62 and name HG2
))
4 2.00 2.00
! peak number c 2754 F1= 8.475 F2= 2.389 null null d= 3.4
assi (( resid 62 and name HB2
))
(( resid 63 and name HN
))
3.4 1.44 1.44
! peak number c 3942 F1= 3.320 F2= 3.500 null null d= 3.8
assi (( resid 62 and name HD1
))
(( resid 62 and name HD2
))
3.8 1.76 1.76
! peak number c 3946 F1= 1.880 F2= 3.317 null null d= 3.6
assi (( resid 62 and name HD1
))
(( resid 62 and name HG1
))
3.6 1.62 1.62
! peak number c 3929 F1= 3.529 F2= 1.903 null null d= 3.6
assi (( resid 62 and name HD2
))
(( resid 62 and name HG1
))
3.6 1.62 1.62
! peak number c 3938 F1= 8.471 F2= 1.901 null null d= 4.6
assi (( resid 62 and name HG1
))
(( resid 63 and name HN
))
4.59 2.64 2.64
! peak number c 3939 F1= 8.477 F2= 1.837 null null d= 5.6 dist trop loin
! peak number c 257 F1= 1.473 F2= 3.680 null null d= 4.1
assi (( resid 63 and name HA
))
(( resid 63 and name HB1
))
4.09 2.10 2.10
! peak number c 258 F1= 1.663 F2= 3.685 null null d= 4.0
assi (( resid 63 and name HA
))
(( resid 63 and name HB2
))
4 1.95 1.95
! peak number c 252 F1= 0.626 F2= 3.680 null null d= 3.2
assi (( resid 63 and name HA
))
(( resid 63 and name HD1*
))
3.2 1.32 1.32
! peak number c 256 F1= 0.924 F2= 3.691 null null d= 4.0
assi (( resid 63 and name HA
))
(( resid 63 and name HD2*
))
4 1.95 1.95
! peak number c 259 F1= 1.718 F2= 3.680 null null d= 3.9
assi (( resid 63 and name HA
))
(( resid 63 and name HG
))
3.9 1.95 1.95
! peak number n 878 F1= 3.699 F2= 8.480 null null d= 3.4
assi (( resid 63 and name HA
))
(( resid 63 and name HN
))
3.4 0.85 0.85
! peak number n 448 F1= 3.689 F2= 9.368 null null d= 2.7
assi (( resid 63 and name HA
))
(( resid 64 and name HN
))
2.7 0.68 0.68
! peak number c 254 F1= 0.871 F2= 3.679 null null d= 4.4
assi (( resid 63 and name HA
))
(( resid 80 and name HG2*
))
4.4 2.42 2.42
! peak number c 2993 F1= 3.671 F2= 2.189 null null d= 4.5
assi (( resid 63 and name HA
))
(( resid 81 and name HB
))
4.5 2.53 2.53
! peak number c 253 F1= 0.762 F2= 3.683 null null d= 5.1
assi (( resid 63 and name HA
))
(( resid 81 and name HG1*
))
5.09 3.25 3.25
! peak number c 255 F1= 1.023 F2= 3.678 null null d= 3.5
assi (( resid 63 and name HA
))
(( resid 81 and name HG2*
))
3.5 1.53 1.53
! peak number c 2046 F1= 1.662 F2= 1.456 null null d= 2.5
assi (( resid 63 and name HB1
))
(( resid 63 and name HB2
))
2.5 0.78 0.78
! peak number c 2796 F1= 1.455 F2= 0.616 null null d= 2.8
assi (( resid 63 and name HB1
))
(( resid 63 and name HD1*
))
2.8 0.98 0.98
! peak number c 2779 F1= 0.913 F2= 1.454 null null d= 2.9
assi (( resid 63 and name HB1
))
(( resid 63 and name HD2*
))
2.9 1.05 1.05
! peak number c 2776 F1= 8.483 F2= 1.458 null null d= 3.5
assi (( resid 63 and name HB1
))
(( resid 63 and name HN
))
3.5 1.53 1.53
! peak number c 2775 F1= 9.348 F2= 1.452 null null d= 3.9
assi (( resid 63 and name HB1
))
(( resid 64 and name HN
))
3.9 1.90 1.90
! peak number c 1326 F1= 1.483 F2= 7.602 null null d= 6.0 dist trop loin
! peak number c 2778 F1= 0.645 F2= 1.455 null null d= 3.4
assi (( resid 63 and name HB1) or ( resid 12 and name HB1
))
(( resid 63 and name HD1*) or ( resid 14 and name HG2*
))
3.4 1.44 1.44
! peak number c 3841 F1= 8.475 F2= 1.657 null null d= 3.2
assi (( resid 63 and name HB2
))
(( resid 63 and name HN
))
3.2 1.32 1.32
! peak number c 2774 F1= 9.352 F2= 1.656 null null d= 4.7
assi (( resid 63 and name HB2
))
(( resid 64 and name HN
))
4.7 2.76 2.76
! peak number c 2797 F1= 0.920 F2= 0.617 null null d= 2.2
assi (( resid 63 and name HD1*
))
(( resid 63 and name HD2*
))
2.2 0.63 0.63
! peak number c 2795 F1= 1.717 F2= 0.613 null null d= 2.8
assi (( resid 63 and name HD1*
))
(( resid 63 and name HG
))
2.8 0.98 0.98
! peak number c 2789 F1= 8.476 F2= 0.617 null null d= 3.5
assi (( resid 63 and name HD1*
))
(( resid 63 and name HN
))
3.5 1.53 1.53
! peak number c 2788 F1= 9.371 F2= 0.614 null null d= 3.4
assi (( resid 63 and name HD1*
))
(( resid 64 and name HN
))
3.4 1.45 1.45
! peak number c 231 F1= 0.622 F2= 4.748 null null d= 4.0
assi (( resid 63 and name HD1*
))
(( resid 82 and name HA
))
4 1.95 1.95
! peak number c 3714 F1= 1.905 F2= 0.612 null null d= 3.4
assi (( resid 63 and name HD1*
))
(( resid 82 and name HB1
))
3.4 1.44 1.44
! peak number c 2793 F1= 4.054 F2= 0.617 null null d= 2.9
assi (( resid 63 and name HD1*
))
(( resid 83 and name HA*
))
2.9 1.05 1.05
! peak number n 296 F1= 0.647 F2= 7.466 null null d= 3.5
assi (( resid 63 and name HD1*
))
(( resid 83 and name HN
))
3.5 1.53 1.53
! peak number c 329 F1= 0.659 F2= 5.796 null null d= 4.2
assi (( resid 63 and name HD1*
))
(( resid 84 and name HA
))
4.2 2.21 2.21
! peak number c 3713 F1= 2.880 F2= 0.617 null null d= 4.5
assi (( resid 63 and name HD1*
))
(( resid 84 and name HB1) or ( resid 64 and name HB1
))
4.5 2.53 2.53
! peak number c 1320 F1= 0.611 F2= 7.602 null null d= 3.5
assi (( resid 63 and name HD1*
))
(( resid 84 and name HE1
))
3.5 1.58 1.58
! peak number n 591 F1= 0.650 F2= 8.618 null null d= 3.3
assi (( resid 63 and name HD1*
))
(( resid 84 and name HN
))
3.3 1.36 1.36
! peak number c 2806 F1= 1.716 F2= 0.905 null null d= 2.6
assi (( resid 63 and name HD2*
))
(( resid 63 and name HG
))
2.6 0.84 0.84
! peak number c 2799 F1= 8.476 F2= 0.902 null null d= 3.2
assi (( resid 63 and name HD2*
))
(( resid 63 and name HN
))
3.2 1.32 1.32
! peak number c 2798 F1= 9.363 F2= 0.902 null null d= 3.8
assi (( resid 63 and name HD2*
))
(( resid 64 and name HN
))
3.8 1.85 1.85
! peak number c 1321 F1= 0.907 F2= 7.602 null null d= 4.2
assi (( resid 63 and name HD2*
))
(( resid 84 and name HE1
))
4.2 2.26 2.26
! peak number c 2802 F1= 4.080 F2= 0.899 null null d= 3.6
assi (( resid 63 and name HD2*) or ( resid 113 and name HD2*
))
(( resid 83 and name HA*) or ( resid 112 and name HB*
))
3.6 1.62 1.62
! peak number c 2787 F1= 8.476 F2= 1.732 null null d= 2.9
assi (( resid 63 and name HG
))
(( resid 63 and name HN
))
2.9 1.05 1.05
! peak number c 3847 F1= 9.348 F2= 1.731 null null d= 4.8
assi (( resid 63 and name HG
))
(( resid 64 and name HN
))
4.8 2.88 2.88
! peak number c 3774 F1= 1.707 F2= 1.005 null null d= 3.6
assi (( resid 63 and name HG
))
(( resid 81 and name HG2*
))
3.6 1.62 1.62
! peak number c 1323 F1= 1.729 F2= 7.602 null null d= 3.5
assi (( resid 63 and name HG
))
(( resid 84 and name HE1
))
3.5 1.53 1.53
! peak number n 451 F1= 8.495 F2= 9.360 null null d= 3.8
assi (( resid 63 and name HN
))
(( resid 64 and name HN
))
3.8 0.95 0.95
! peak number c 1325 F1= 8.466 F2= 7.602 null null d= 3.5
assi (( resid 63 and name HN
))
(( resid 84 and name HE1
))
3.5 1.53 1.53
! peak number c 260 F1= 2.850 F2= 4.227 null null d= 3.1
assi (( resid 64 and name HA
))
(( resid 64 and name HB1
))
3.1 1.24 1.24
! peak number c 261 F1= 2.959 F2= 4.224 null null d= 3.2
assi (( resid 64 and name HA
))
(( resid 64 and name HB2
))
3.2 1.32 1.32
! peak number n 449 F1= 4.247 F2= 9.366 null null d= 2.8
assi (( resid 64 and name HA
))
(( resid 64 and name HN
))
2.8 0.70 0.70
! peak number n 466 F1= 4.255 F2= 7.300 null null d= 3.1
assi (( resid 64 and name HA
))
(( resid 65 and name HN
))
3.1 0.78 0.78
! peak number c 262 F1= 0.772 F2= 4.224 null null d= 3.2
assi (( resid 64 and name HA
))
(( resid 80 and name HG1*
))
3.2 1.28 1.28
! peak number c 2811 F1= 2.957 F2= 2.864 null null d= 2.5
assi (( resid 64 and name HB1
))
(( resid 64 and name HB2
))
2.5 0.78 0.78
! peak number c 2818 F1= 9.351 F2= 2.859 null null d= 4.0
assi (( resid 64 and name HB1
))
(( resid 64 and name HN
))
4 2.00 2.00
! peak number c 2816 F1= 7.294 F2= 2.849 null null d= 4.6
assi (( resid 64 and name HB1
))
(( resid 65 and name HN
))
4.59 2.64 2.64
! peak number c 2810 F1= 0.782 F2= 2.853 null null d= 4.1
assi (( resid 64 and name HB1
))
(( resid 81 and name HG1*) or ( resid 61 and name HG2*
))
4.09 2.10 2.10
! peak number c 2817 F1= 9.356 F2= 2.953 null null d= 3.8
assi (( resid 64 and name HB2
))
(( resid 64 and name HN
))
3.8 1.80 1.80
! peak number c 2815 F1= 7.276 F2= 2.949 null null d= 4.4
assi (( resid 64 and name HB2
))
(( resid 65 and name HN
))
4.4 2.42 2.42
! peak number c 2809 F1= 0.777 F2= 2.953 null null d= 3.8
assi (( resid 64 and name HB2
))
(( resid 81 and name HG1*) or ( resid 61 and name HG2*
))
3.8 1.80 1.80
! peak number c 3025 F1= 2.959 F2= 1.007 null null d= 3.2
assi (( resid 64 and name HB2
))
(( resid 81 and name HG2*
))
3.2 1.28 1.28
! peak number n 450 F1= 7.302 F2= 9.365 null null d= 3.0
assi (( resid 64 and name HN
))
(( resid 65 and name HN
))
3 0.76 0.76
! peak number n 442 F1= 0.807 F2= 9.365 null null d= 3.0
assi (( resid 64 and name HN
))
(( resid 80 and name HG1*) or ( resid 61 and name HG2*
))
3 1.12 1.12
! peak number c 2996 F1= 9.369 F2= 2.186 null null d= 4.2
assi (( resid 64 and name HN
))
(( resid 81 and name HB
))
4.2 2.26 2.26
! peak number n 444 F1= 1.038 F2= 9.361 null null d= 3.4
assi (( resid 64 and name HN
))
(( resid 81 and name HG1*
))
3.4 1.44 1.44
! peak number c 266 F1= 3.612 F2= 4.136 null null d= 4.0
assi (( resid 65 and name HA
))
(( resid 65 and name HB
))
4 2.00 2.00
! peak number c 265 F1= 1.063 F2= 4.141 null null d= 3.0
assi (( resid 65 and name HA
))
(( resid 65 and name HG2*
))
3 1.12 1.12
! peak number n 465 F1= 4.157 F2= 7.300 null null d= 2.9
assi (( resid 65 and name HA
))
(( resid 65 and name HN
))
2.9 0.72 0.72
! peak number n 50 F1= 4.166 F2= 8.616 null null d= 2.4
assi (( resid 65 and name HA
))
(( resid 66 and name HN
))
2.4 0.60 0.60
! peak number c 264 F1= 0.785 F2= 4.143 null null d= 3.7
assi (( resid 65 and name HA
))
(( resid 80 and name HG1*) or ( resid 61 and name HG2*
))
3.7 1.71 1.71
! peak number n 1186 F1= 4.157 F2= 8.415 null null d= 3.5
assi (( resid 65 and name HA
))
(( resid 81 and name HN
))
3.5 0.88 0.88
! peak number c 2820 F1= 1.056 F2= 3.604 null null d= 3.4
assi (( resid 65 and name HB
))
(( resid 65 and name HG2*
))
3.4 1.44 1.44
! peak number c 2822 F1= 7.288 F2= 3.609 null null d= 3.5
assi (( resid 65 and name HB
))
(( resid 65 and name HN
))
3.5 1.49 1.49
! peak number c 2823 F1= 8.582 F2= 3.606 null null d= 5.2
assi (( resid 65 and name HB
))
(( resid 66 and name HN
))
5.2 3.38 3.38
! peak number c 2868 F1= 3.627 F2= 0.455 null null d= 3.8
assi (( resid 65 and name HB
))
(( resid 67 and name HG2*
))
3.8 1.80 1.80
! peak number c 3008 F1= 3.622 F2= 0.768 null null d= 3.3
assi (( resid 65 and name HB
))
(( resid 81 and name HG1*
))
3.3 1.36 1.36
! peak number n 462 F1= 1.083 F2= 7.300 null null d= 2.9
assi (( resid 65 and name HG2*
))
(( resid 65 and name HN
))
2.9 1.05 1.05
! peak number c 2583 F1= 4.747 F2= 1.073 null null d= 2.9
assi (( resid 65 and name HG2*
))
(( resid 66 and name HA
))
2.9 1.05 1.05
! peak number c 3512 F1= 1.031 F2= 1.965 null null d= 3.5
assi (( resid 65 and name HG2*
))
(( resid 66 and name HB*
))
3.5 1.53 1.53
! peak number c 2824 F1= 8.587 F2= 1.063 null null d= 3.0
assi (( resid 65 and name HG2*
))
(( resid 66 and name HN
))
3 1.09 1.09
! peak number c 2858 F1= 1.041 F2= 0.304 null null d= 3.7
assi (( resid 65 and name HG2*
))
(( resid 67 and name HG1*
))
3.7 1.71 1.71
! peak number c 2599 F1= 0.456 F2= 1.068 null null d= 2.6
assi (( resid 65 and name HG2*
))
(( resid 67 and name HG2*
))
2.6 0.84 0.84
! peak number c 2825 F1= 7.287 F2= 1.061 null null d= 3.1
assi (( resid 65 and name HG2*) or ( resid 50 and name HG2*
))
(( resid 65 and name HN) or ( resid 18 and name HE3
))
3.1 1.20 1.20
! peak number n 471 F1= 8.608 F2= 7.306 null null d= 4.0
assi (( resid 65 and name HN
))
(( resid 66 and name HN
))
4 1.01 1.01
! peak number n 459 F1= 0.485 F2= 7.302 null null d= 3.8
assi (( resid 65 and name HN
))
(( resid 67 and name HG2*
))
3.8 1.80 1.80
! peak number n 460 F1= 0.806 F2= 7.298 null null d= 2.7
assi (( resid 65 and name HN
))
(( resid 80 and name HG1*) or ( resid 61 and name HG2*
))
2.7 0.91 0.91
! peak number n 461 F1= 0.918 F2= 7.302 null null d= 3.7
assi (( resid 65 and name HN
))
(( resid 80 and name HG2*
))
3.7 1.71 1.71
! peak number c 2994 F1= 7.286 F2= 2.187 null null d= 3.5
assi (( resid 65 and name HN
))
(( resid 81 and name HB
))
3.5 1.53 1.53
! peak number n 118 F1= 7.295 F2= 8.407 null null d= 3.5
assi (( resid 65 and name HN
))
(( resid 81 and name HN
))
3.5 0.89 0.89
! peak number c 269 F1= 1.965 F2= 4.759 null null d= 3.2
assi (( resid 66 and name HA
))
(( resid 66 and name HB*
))
3.2 1.32 1.32
! peak number c 272 F1= 2.289 F2= 4.770 null null d= 4.2
assi (( resid 66 and name HA
))
(( resid 66 and name HG1
))
4.2 2.21 2.21
! peak number c 2838 F1= 4.740 F2= 2.358 null null d= 3.3
assi (( resid 66 and name HA
))
(( resid 66 and name HG2
))
3.3 1.36 1.36
! peak number n 55 F1= 4.764 F2= 8.617 null null d= 2.8
assi (( resid 66 and name HA
))
(( resid 66 and name HN
))
2.8 0.70 0.70
! peak number n 666 F1= 4.778 F2= 8.811 null null d= 2.8
assi (( resid 66 and name HA
))
(( resid 67 and name HN
))
2.8 0.70 0.70
! peak number c 268 F1= 4.921 F2= 4.749 null null d= 3.5
assi (( resid 66 and name HA
))
(( resid 80 and name HA
))
3.5 0.88 0.88
! peak number c 270 F1= 0.890 F2= 4.756 null null d= 4.3
assi (( resid 66 and name HA
))
(( resid 80 and name HG2*
))
4.3 2.31 2.31
! peak number c 2836 F1= 2.274 F2= 1.976 null null d= 2.2
assi (( resid 66 and name HB*
))
(( resid 66 and name HG1
))
2.2 0.61 0.61
! peak number c 2829 F1= 8.586 F2= 1.965 null null d= 2.8
assi (( resid 66 and name HB*
))
(( resid 66 and name HN
))
2.8 0.95 0.95
! peak number c 2830 F1= 8.790 F2= 1.964 null null d= 3.5
assi (( resid 66 and name HB*
))
(( resid 67 and name HN
))
3.5 1.53 1.53
! peak number c 3798 F1= 1.992 F2= 1.310 null null d= 4.4
assi (( resid 66 and name HB*
))
(( resid 78 and name HB*
))
4.4 2.42 2.42
! peak number c 316 F1= 1.966 F2= 4.935 null null d= 4.3
assi (( resid 66 and name HB*
))
(( resid 80 and name HA
))
4.3 2.31 2.31
! peak number c 2835 F1= 0.836 F2= 1.972 null null d= 2.7
assi (( resid 66 and name HB*
))
(( resid 80 and name HG2*
))
2.7 0.91 0.91
! peak number n 48 F1= 2.223 F2= 8.615 null null d= 3.8
assi (( resid 66 and name HG1
))
(( resid 66 and name HN
))
3.8 1.80 1.80
! peak number n 661 F1= 2.227 F2= 8.815 null null d= 3.7
assi (( resid 66 and name HG1
))
(( resid 67 and name HN
))
3.7 1.71 1.71
! peak number c 2969 F1= 2.248 F2= 1.313 null null d= 3.5
assi (( resid 66 and name HG1
))
(( resid 78 and name HB*
))
3.5 1.53 1.53
! peak number c 3700 F1= 2.271 F2= 0.464 null null d= 3.8
assi (( resid 66 and name HG1) or ( resid 115 and name HB2
))
(( resid 67 and name HG2*
))
3.8 1.80 1.80
! peak number n 49 F1= 2.331 F2= 8.615 null null d= 3.7
assi (( resid 66 and name HG2
))
(( resid 66 and name HN
))
3.7 1.71 1.71
! peak number n 660 F1= 2.313 F2= 8.820 null null d= 4.1
assi (( resid 66 and name HG2
))
(( resid 67 and name HN
))
4.09 2.10 2.10
! peak number c 3874 F1= 8.539 F2= 2.367 null null d= 4.8
assi (( resid 66 and name HG2
))
(( resid 78 and name HN
))
4.8 2.88 2.88
! peak number n 54 F1= 8.812 F2= 8.617 null null d= 4.4
assi (( resid 66 and name HN
))
(( resid 67 and name HN
))
4.4 1.10 1.10
! peak number n 45 F1= 0.805 F2= 8.612 null null d= 3.5
assi (( resid 66 and name HN
))
(( resid 80 and name HG1*) or ( resid 61 and name HG2*
))
3.5 1.53 1.53
! peak number c 276 F1= 2.067 F2= 4.677 null null d= 3.8
assi (( resid 67 and name HA
))
(( resid 67 and name HB
))
3.8 1.85 1.85
! peak number c 273 F1= 0.278 F2= 4.678 null null d= 3.9
assi (( resid 67 and name HA
))
(( resid 67 and name HG1*
))
3.9 1.90 1.90
! peak number c 274 F1= 0.456 F2= 4.683 null null d= 3.1
assi (( resid 67 and name HA
))
(( resid 67 and name HG2*
))
3.1 1.20 1.20
! peak number n 656 F1= 4.693 F2= 8.804 null null d= 3.1
assi (( resid 67 and name HA
))
(( resid 67 and name HN
))
3.1 0.78 0.78
! peak number c 2855 F1= 2.051 F2= 0.304 null null d= 3.2
assi (( resid 67 and name HB
))
(( resid 67 and name HG1*
))
3.2 1.28 1.28
! peak number c 2849 F1= 0.455 F2= 2.059 null null d= 3.0
assi (( resid 67 and name HB
))
(( resid 67 and name HG2*
))
3 1.12 1.12
! peak number c 2874 F1= 2.068 F2= 0.908 null null d= 2.5
assi (( resid 67 and name HB
))
(( resid 68 and name HG2*
))
2.5 0.78 0.78
! peak number c 2847 F1= 8.834 F2= 2.063 null null d= 3.3
assi (( resid 67 and name HB
))
(( resid 68 and name HN
))
3.3 1.33 1.33
! peak number n 1274 F1= 2.070 F2= 8.407 null null d= 3.4
assi (( resid 67 and name HB
))
(( resid 81 and name HN
))
3.4 1.44 1.44
! peak number c 2873 F1= 0.279 F2= 0.458 null null d= 2.6
assi (( resid 67 and name HG1*
))
(( resid 67 and name HG2*
))
2.6 0.85 0.85
! peak number c 2851 F1= 8.805 F2= 0.300 null null d= 3.0
assi (( resid 67 and name HG1*
))
(( resid 67 and name HN
))
3 1.12 1.12
! peak number c 2854 F1= 4.710 F2= 0.299 null null d= 3.1
assi (( resid 67 and name HG1*
))
(( resid 68 and name HA) or ( resid 66 and name HA
))
3.1 1.20 1.20
! peak number n 583 F1= 0.339 F2= 8.844 null null d= 3.0
assi (( resid 67 and name HG1*
))
(( resid 68 and name HN
))
3 1.12 1.12
! peak number c 3694 F1= 5.208 F2= 0.301 null null d= 4.4
assi (( resid 67 and name HG1*
))
(( resid 78 and name HA
))
4.4 2.42 2.42
! peak number c 2853 F1= 4.936 F2= 0.299 null null d= 3.8
assi (( resid 67 and name HG1*
))
(( resid 80 and name HA
))
3.8 1.80 1.80
! peak number c 2860 F1= 8.808 F2= 0.455 null null d= 3.3
assi (( resid 67 and name HG2*
))
(( resid 67 and name HN
))
3.3 1.36 1.36
! peak number n 581 F1= 0.485 F2= 8.850 null null d= 3.0
assi (( resid 67 and name HG2*
))
(( resid 68 and name HN
))
3 1.12 1.12
! peak number c 2865 F1= 4.923 F2= 0.457 null null d= 4.3
assi (( resid 67 and name HG2*
))
(( resid 80 and name HA
))
4.3 2.31 2.31
! peak number c 2872 F1= 0.770 F2= 0.457 null null d= 2.2
assi (( resid 67 and name HG2*
))
(( resid 81 and name HG1*) or ( resid 61 and name HG2*
))
2.2 0.61 0.61
! peak number c 3022 F1= 0.447 F2= 1.006 null null d= 3.1
assi (( resid 67 and name HG2*
))
(( resid 81 and name HG2*
))
3.1 1.20 1.20
! peak number c 2863 F1= 8.373 F2= 0.455 null null d= 4.6
assi (( resid 67 and name HG2*
))
(( resid 81 and name HN
))
4.59 2.64 2.64
! peak number n 1269 F1= 8.825 F2= 8.364 null null d= 4.1
assi (( resid 67 and name HN
))
(( resid 79 and name HN
))
4.09 1.02 1.02
! peak number c 3732 F1= 8.798 F2= 0.776 null null d= 4.6
assi (( resid 67 and name HN
))
(( resid 81 and name HG1*
))
4.59 2.64 2.64
! peak number n 659 F1= 8.391 F2= 8.821 null null d= 3.6
assi (( resid 67 and name HN
))
(( resid 81 and name HN) or ( resid 79 and name HN
))
3.6 1.62 1.62
! peak number c 279 F1= 3.807 F2= 4.705 null null d= 4.8
assi (( resid 68 and name HA
))
(( resid 68 and name HB
))
4.8 2.88 2.88
! peak number c 281 F1= 0.942 F2= 4.706 null null d= 3.0
assi (( resid 68 and name HA
))
(( resid 68 and name HG2*
))
3 1.16 1.16
! peak number c 2890 F1= 4.710 F2= 0.405 null null d= 3.5
assi (( resid 68 and name HA
))
(( resid 69 and name HB*
))
3.5 1.53 1.53
! peak number n 60 F1= 4.730 F2= 8.765 null null d= 2.5
assi (( resid 68 and name HA
))
(( resid 69 and name HN
))
2.5 0.62 0.62
! peak number c 280 F1= 1.309 F2= 4.706 null null d= 3.3
assi (( resid 68 and name HA
))
(( resid 78 and name HB*
))
3.3 1.36 1.36
! peak number n 578 F1= 4.708 F2= 8.847 null null d= 2.6
assi (( resid 68 and name HA) or ( resid 67 and name HA
))
(( resid 68 and name HN
))
2.6 0.85 0.85
! peak number c 2879 F1= 3.829 F2= 0.934 null null d= 3.0
assi (( resid 68 and name HB
))
(( resid 68 and name HG2*
))
3 1.12 1.12
! peak number n 577 F1= 3.843 F2= 8.847 null null d= 3.6
assi (( resid 68 and name HB
))
(( resid 68 and name HN
))
3.6 1.62 1.62
! peak number n 59 F1= 3.868 F2= 8.769 null null d= 4.0
assi (( resid 68 and name HB
))
(( resid 69 and name HN
))
4 2.00 2.00
! peak number c 2966 F1= 3.834 F2= 2.888 null null d= 4.4
assi (( resid 68 and name HB
))
(( resid 76 and name HB*
))
4.4 2.42 2.42
! peak number c 2884 F1= 0.422 F2= 0.932 null null d= 3.3
assi (( resid 68 and name HG2*
))
(( resid 69 and name HB*
))
3.3 1.36 1.36
! peak number c 2883 F1= 8.766 F2= 0.925 null null d= 3.0
assi (( resid 68 and name HG2*
))
(( resid 69 and name HN
))
3 1.09 1.09
! peak number c 2931 F1= 0.929 F2= 0.558 null null d= 3.6
assi (( resid 68 and name HG2*
))
(( resid 70 and name HD1*
))
3.6 1.62 1.62
! peak number c 2878 F1= 2.916 F2= 0.930 null null d= 3.1
assi (( resid 68 and name HG2*
))
(( resid 76 and name HB*
))
3.1 1.24 1.24
! peak number c 1227 F1= 0.922 F2= 6.961 null null d= 3.9
assi (( resid 68 and name HG2*
))
(( resid 76 and name HD*
))
3.9 1.95 1.95
! peak number c 1226 F1= 0.931 F2= 7.074 null null d= 5.2
assi (( resid 68 and name HG2*
))
(( resid 76 and name HE*
))
5.2 3.38 3.38
! peak number c 3764 F1= 8.442 F2= 0.924 null null d= 3.8
assi (( resid 68 and name HG2*
))
(( resid 77 and name HN
))
3.8 1.76 1.76
! peak number c 313 F1= 0.945 F2= 5.184 null null d= 4.9
assi (( resid 68 and name HG2*
))
(( resid 78 and name HA
))
4.9 3.00 3.00
! peak number c 3800 F1= 0.929 F2= 1.306 null null d= 4.1
assi (( resid 68 and name HG2*
))
(( resid 78 and name HB*
))
4.09 2.10 2.10
! peak number c 2877 F1= 1.347 F2= 0.939 null null d= 3.2
assi (( resid 68 and name HG2*
))
(( resid 78 and name HB*) or ( resid 70 and name HG
))
3.2 1.28 1.28
! peak number c 284 F1= 0.412 F2= 5.009 null null d= 3.0
assi (( resid 69 and name HA
))
(( resid 69 and name HB*
))
3 1.12 1.12
! peak number n 61 F1= 5.009 F2= 8.755 null null d= 3.3
assi (( resid 69 and name HA
))
(( resid 69 and name HN
))
3.3 0.82 0.82
! peak number c 2902 F1= 4.990 F2= 1.451 null null d= 5.0
assi (( resid 69 and name HA
))
(( resid 70 and name HB1
))
5 3.12 3.12
! peak number c 2901 F1= 4.974 F2= 1.568 null null d= 4.2
assi (( resid 69 and name HA
))
(( resid 70 and name HB2
))
4.2 2.21 2.21
! peak number c 285 F1= 0.546 F2= 5.009 null null d= 4.6
assi (( resid 69 and name HA
))
(( resid 70 and name HD2*) or ( resid 70 and name HD1*
))
4.59 2.64 2.64
! peak number c 3804 F1= 5.019 F2= 1.363 null null d= 4.7
assi (( resid 69 and name HA
))
(( resid 70 and name HG
))
4.7 2.76 2.76
! peak number n 160 F1= 5.021 F2= 8.973 null null d= 2.7
assi (( resid 69 and name HA
))
(( resid 70 and name HN
))
2.7 0.68 0.68
! peak number c 3197 F1= 4.982 F2= 0.399 null null d= 3.9
assi (( resid 69 and name HA
))
(( resid 95 and name HD1*
))
3.9 1.90 1.90
! peak number c 3191 F1= 4.975 F2= 0.390 null null d= 3.8
assi (( resid 69 and name HA
))
(( resid 95 and name HG2*
))
3.8 1.80 1.80
! peak number c 2885 F1= 8.742 F2= 0.402 null null d= 3.0
assi (( resid 69 and name HB*
))
(( resid 69 and name HN
))
3 1.12 1.12
! peak number c 2886 F1= 8.951 F2= 0.400 null null d= 3.1
assi (( resid 69 and name HB*
))
(( resid 70 and name HN
))
3.1 1.20 1.20
! peak number c 2892 F1= 2.912 F2= 0.401 null null d= 3.8
assi (( resid 69 and name HB*
))
(( resid 76 and name HB*
))
3.8 1.80 1.80
! peak number c 3699 F1= 5.183 F2= 0.398 null null d= 4.6
assi (( resid 69 and name HB*
))
(( resid 78 and name HA
))
4.59 2.64 2.64
! peak number c 2894 F1= 1.349 F2= 0.399 null null d= 3.8
assi (( resid 69 and name HB*
))
(( resid 97 and name HG1
))
3.8 1.80 1.80
! peak number c 2144 F1= 0.402 F2= 1.489 null null d= 2.9
assi (( resid 69 and name HB*
))
(( resid 97 and name HG2
))
2.9 1.05 1.05
! peak number n 456 F1= 8.770 F2= 8.452 null null d= 3.8
assi (( resid 69 and name HN
))
(( resid 77 and name HN
))
3.8 0.95 0.95
! peak number n 62 F1= 5.192 F2= 8.763 null null d= 3.4
assi (( resid 69 and name HN
))
(( resid 78 and name HA
))
3.4 0.85 0.85
! peak number n 58 F1= 1.353 F2= 8.765 null null d= 3.6
assi (( resid 69 and name HN
))
(( resid 97 and name HG1) or ( resid 78 and name HB*
))
3.6 1.62 1.62
! peak number c 290 F1= 1.449 F2= 4.628 null null d= 4.8
assi (( resid 70 and name HA
))
(( resid 70 and name HB1
))
4.8 2.88 2.88
! peak number c 288 F1= 1.577 F2= 4.625 null null d= 4.4
assi (( resid 70 and name HA
))
(( resid 70 and name HB2
))
4.4 2.42 2.42
! peak number c 287 F1= 0.528 F2= 4.624 null null d= 3.2
assi (( resid 70 and name HA
))
(( resid 70 and name HD1*
))
3.2 1.32 1.32
! peak number c 292 F1= 0.565 F2= 4.628 null null d= 3.2
assi (( resid 70 and name HA
))
(( resid 70 and name HD2*
))
3.2 1.28 1.28
! peak number c 2913 F1= 4.615 F2= 1.364 null null d= 4.4
assi (( resid 70 and name HA
))
(( resid 70 and name HG
))
4.4 2.42 2.42
! peak number n 652 F1= 4.641 F2= 8.494 null null d= 2.4
assi (( resid 70 and name HA
))
(( resid 71 and name HN
))
2.4 0.60 0.60
! peak number c 308 F1= 4.634 F2= 4.080 null null d= 6.0 dist trop loin
! peak number c 2964 F1= 4.648 F2= 2.906 null null d= 3.4
assi (( resid 70 and name HA
))
(( resid 76 and name HB*
))
3.4 1.44 1.44
! peak number c 2903 F1= 4.612 F2= 1.453 null null d= 3.6
assi (( resid 70 and name HA) or ( resid 108 and name HA
))
(( resid 70 and name HB1
))
3.6 1.62 1.62
! peak number c 2900 F1= 4.606 F2= 1.569 null null d= 3.3
assi (( resid 70 and name HA) or ( resid 108 and name HA
))
(( resid 70 and name HB2
))
3.3 1.36 1.36
! peak number n 158 F1= 4.615 F2= 8.972 null null d= 3.0
assi (( resid 70 and name HA) or ( resid 108 and name HA
))
(( resid 70 and name HN
))
3 1.12 1.12
! peak number c 2899 F1= 1.574 F2= 1.460 null null d= 2.7
assi (( resid 70 and name HB1
))
(( resid 70 and name HB2
))
2.7 0.91 0.91
! peak number c 2897 F1= 0.549 F2= 1.456 null null d= 3.1
assi (( resid 70 and name HB1
))
(( resid 70 and name HD2*) or ( resid 70 and name HD1*
))
3.1 1.20 1.20
! peak number c 3821 F1= 1.347 F2= 1.443 null null d= 3.3
assi (( resid 70 and name HB1
))
(( resid 70 and name HG
))
3.3 1.36 1.36
! peak number c 2906 F1= 8.951 F2= 1.459 null null d= 3.7
assi (( resid 70 and name HB1
))
(( resid 70 and name HN
))
3.7 1.71 1.71
! peak number n 648 F1= 1.492 F2= 8.488 null null d= 3.7
assi (( resid 70 and name HB1
))
(( resid 71 and name HN
))
3.7 1.71 1.71
! peak number c 2905 F1= 8.477 F2= 1.467 null null d= 4.7
assi (( resid 70 and name HB1
))
(( resid 77 and name HN
))
4.7 2.76 2.76
! peak number c 2927 F1= 1.571 F2= 0.515 null null d= 2.8
assi (( resid 70 and name HB2
))
(( resid 70 and name HD1*
))
2.8 0.98 0.98
! peak number c 2933 F1= 1.555 F2= 0.565 null null d= 2.7
assi (( resid 70 and name HB2
))
(( resid 70 and name HD2*
))
2.7 0.91 0.91
! peak number c 2896 F1= 0.554 F2= 1.570 null null d= 3.0
assi (( resid 70 and name HB2
))
(( resid 70 and name HD2*) or ( resid 70 and name HD1*
))
3 1.12 1.12
! peak number c 2898 F1= 1.391 F2= 1.570 null null d= 2.9
assi (( resid 70 and name HB2
))
(( resid 70 and name HG
))
2.9 1.05 1.05
! peak number c 2907 F1= 8.950 F2= 1.568 null null d= 3.5
assi (( resid 70 and name HB2
))
(( resid 70 and name HN
))
3.5 1.53 1.53
! peak number c 2904 F1= 8.465 F2= 1.573 null null d= 3.9
assi (( resid 70 and name HB2
))
(( resid 71 and name HN
))
3.9 1.90 1.90
! peak number c 2926 F1= 1.385 F2= 0.523 null null d= 2.6
assi (( resid 70 and name HD1*
))
(( resid 70 and name HG
))
2.6 0.85 0.85
! peak number c 2919 F1= 8.959 F2= 0.519 null null d= 3.7
assi (( resid 70 and name HD1*
))
(( resid 70 and name HN
))
3.7 1.71 1.71
! peak number c 3702 F1= 4.831 F2= 0.517 null null d= 4.2
assi (( resid 70 and name HD1*
))
(( resid 71 and name HA
))
4.2 2.21 2.21
! peak number c 2918 F1= 8.468 F2= 0.520 null null d= 3.7
assi (( resid 70 and name HD1*
))
(( resid 71 and name HN
))
3.7 1.71 1.71
! peak number c 2922 F1= 4.052 F2= 0.527 null null d= 4.0
assi (( resid 70 and name HD1*
))
(( resid 76 and name HA
))
4 2.00 2.00
! peak number c 2923 F1= 2.919 F2= 0.519 null null d= 4.0
assi (( resid 70 and name HD1*
))
(( resid 76 and name HB*
))
4 2.00 2.00
! peak number c 1228 F1= 0.558 F2= 6.962 null null d= 4.4
assi (( resid 70 and name HD1*
))
(( resid 76 and name HD*
))
4.4 2.42 2.42
! peak number c 1225 F1= 0.560 F2= 7.078 null null d= 4.0
assi (( resid 70 and name HD1*
))
(( resid 76 and name HE*
))
4 2.00 2.00
! peak number c 1241 F1= 0.542 F2= 7.154 null null d= 6.2 dist trop loin
! peak number c 301 F1= 0.528 F2= 4.671 null null d= 3.8
assi (( resid 70 and name HD1*
))
(( resid 77 and name HA) or ( resid 73 and name HA
))
3.8 1.80 1.80
! peak number c 2932 F1= 1.377 F2= 0.567 null null d= 2.8
assi (( resid 70 and name HD2*
))
(( resid 70 and name HG
))
2.8 0.98 0.98
! peak number c 2939 F1= 8.951 F2= 0.559 null null d= 3.7
assi (( resid 70 and name HD2*
))
(( resid 70 and name HN
))
3.7 1.67 1.67
! peak number c 2936 F1= 4.813 F2= 0.561 null null d= 3.3
assi (( resid 70 and name HD2*
))
(( resid 71 and name HA
))
3.3 1.36 1.36
! peak number n 646 F1= 0.580 F2= 8.491 null null d= 2.8
assi (( resid 70 and name HD2*
))
(( resid 71 and name HN
))
2.8 0.98 0.98
! peak number c 3710 F1= 4.047 F2= 0.568 null null d= 4.6
assi (( resid 70 and name HD2*
))
(( resid 76 and name HA
))
4.59 2.64 2.64
! peak number c 2937 F1= 7.071 F2= 0.572 null null d= 3.2
assi (( resid 70 and name HD2*
))
(( resid 76 and name HE*
))
3.2 1.28 1.28
! peak number c 2914 F1= 0.558 F2= 1.364 null null d= 2.7
assi (( resid 70 and name HD2*) or ( resid 70 and name HD1*
))
(( resid 70 and name HG
))
2.7 0.91 0.91
! peak number c 2938 F1= 8.468 F2= 0.559 null null d= 3.7
assi (( resid 70 and name HD2*) or ( resid 70 and name HD1*
))
(( resid 71 and name HN
))
3.7 1.71 1.71
! peak number c 2924 F1= 2.124 F2= 0.530 null null d= 3.6
assi (( resid 70 and name HD2*) or ( resid 70 and name HD1*
))
(( resid 72 and name HG*
))
3.6 1.62 1.62
! peak number c 1217 F1= 0.534 F2= 7.048 null null d= 5.7 dist trop loin
! peak number c 2934 F1= 2.915 F2= 0.559 null null d= 3.4
assi (( resid 70 and name HD2*) or ( resid 70 and name HD1*
))
(( resid 76 and name HB*
))
3.4 1.44 1.44
! peak number c 2910 F1= 8.950 F2= 1.370 null null d= 3.5
assi (( resid 70 and name HG
))
(( resid 70 and name HN
))
3.5 1.53 1.53
! peak number n 647 F1= 1.393 F2= 8.490 null null d= 3.3
assi (( resid 70 and name HG
))
(( resid 71 and name HN
))
3.3 1.36 1.36
! peak number c 2911 F1= 8.450 F2= 1.373 null null d= 4.4
assi (( resid 70 and name HG
))
(( resid 77 and name HN) or ( resid 71 and name HN
))
4.4 2.42 2.42
! peak number c 486 F1= 1.372 F2= 4.085 null null d= 3.1
assi (( resid 70 and name HG) or ( resid 122 and name HB1
))
(( resid 76 and name HA) or ( resid 122 and name HA
))
3.1 1.20 1.20
! peak number c 158 F1= 4.006 F2= 4.799 null null d= 3.0
assi (( resid 71 and name HA
))
(( resid 71 and name HB1
))
3 1.12 1.12
! peak number c 159 F1= 4.151 F2= 4.799 null null d= 3.0
assi (( resid 71 and name HA
))
(( resid 71 and name HB2
))
3 1.12 1.12
! peak number n 653 F1= 4.824 F2= 8.494 null null d= 3.0
assi (( resid 71 and name HA
))
(( resid 71 and name HN
))
3 0.75 0.75
! peak number c 1232 F1= 4.816 F2= 6.965 null null d= 4.5
assi (( resid 71 and name HA
))
(( resid 76 and name HD*
))
4.5 2.53 2.53
! peak number c 1233 F1= 4.810 F2= 7.080 null null d= 5.0
assi (( resid 71 and name HA
))
(( resid 76 and name HE*
))
5 3.12 3.12
! peak number c 2963 F1= 4.813 F2= 2.907 null null d= 3.1
assi (( resid 71 and name HA) or ( resid 42 and name HA
))
(( resid 76 and name HB*) or ( resid 43 and name HB2
))
3.1 1.20 1.20
! peak number n 651 F1= 4.190 F2= 8.486 null null d= 3.7
assi (( resid 71 and name HB2
))
(( resid 71 and name HN
))
3.7 1.71 1.71
! peak number n 650 F1= 4.052 F2= 8.491 null null d= 3.2
assi (( resid 71 and name HN
))
(( resid 76 and name HA) or ( resid 71 and name HB1
))
3.2 1.28 1.28
! peak number c 295 F1= 2.073 F2= 4.048 null null d= 2.9
assi (( resid 72 and name HA
))
(( resid 72 and name HB*
))
2.9 1.05 1.05
! peak number c 296 F1= 2.141 F2= 4.046 null null d= 3.5
assi (( resid 72 and name HA
))
(( resid 72 and name HG*
))
3.5 1.53 1.53
! peak number n 813 F1= 4.077 F2= 7.905 null null d= 3.1
assi (( resid 72 and name HA
))
(( resid 73 and name HN
))
3.1 0.78 0.78
! peak number c 1222 F1= 4.078 F2= 6.780 null null d= 5.2
assi (( resid 72 and name HA
))
(( resid 75 and name HE*
))
5.2 3.38 3.38
! peak number c 1216 F1= 2.059 F2= 7.047 null null d= 5.9 dist trop loin
! peak number n 487 F1= 2.049 F2= 7.946 null null d= 2.8
assi (( resid 72 and name HB*
))
(( resid 76 and name HN
))
2.8 0.98 0.98
! peak number c 2940 F1= 8.464 F2= 2.043 null null d= 4.4
assi (( resid 72 and name HB*
))
(( resid 77 and name HN) or ( resid 71 and name HN
))
4.4 2.42 2.42
! peak number n 816 F1= 2.108 F2= 7.908 null null d= 3.3
assi (( resid 72 and name HG1
))
(( resid 73 and name HN
))
3.3 1.36 1.36
! peak number n 524 F1= 2.133 F2= 8.296 null null d= 3.0
assi (( resid 72 and name HG2
))
(( resid 75 and name HN
))
3 1.12 1.12
! peak number n 488 F1= 2.149 F2= 7.943 null null d= 2.8
assi (( resid 72 and name HG2
))
(( resid 76 and name HN
))
2.8 0.98 0.98
! peak number c 2943 F1= 7.904 F2= 2.131 null null d= 3.2
assi (( resid 72 and name HG*
))
(( resid 73 and name HN
))
3.2 1.28 1.28
! peak number c 2947 F1= 2.701 F2= 2.135 null null d= 3.3
assi (( resid 72 and name HG*
))
(( resid 75 and name HB*
))
3.3 1.36 1.36
! peak number c 2945 F1= 4.059 F2= 2.125 null null d= 2.7
assi (( resid 72 and name HG*
))
(( resid 76 and name HA) or ( resid 72 and name HA
))
2.7 0.91 0.91
! peak number c 2514 F1= 4.679 F2= 2.931 null null d= 2.8
assi (( resid 73 and name HA
))
(( resid 73 and name HB*
))
2.8 0.95 0.95
! peak number n 814 F1= 4.668 F2= 7.911 null null d= 3.5
assi (( resid 73 and name HA
))
(( resid 73 and name HN
))
3.5 0.88 0.88
! peak number c 1213 F1= 4.679 F2= 7.051 null null d= 3.5
assi (( resid 73 and name HA
))
(( resid 75 and name HD*
))
3.5 1.53 1.53
! peak number c 1231 F1= 4.687 F2= 6.962 null null d= 4.2
assi (( resid 73 and name HA
))
(( resid 76 and name HD*
))
4.2 2.21 2.21
! peak number c 1230 F1= 4.670 F2= 7.080 null null d= 5.2
assi (( resid 73 and name HA
))
(( resid 76 and name HE*
))
5.2 3.38 3.38
! peak number n 812 F1= 2.965 F2= 7.906 null null d= 2.9
assi (( resid 73 and name HB1
))
(( resid 73 and name HN
))
2.9 1.05 1.05
! peak number c 2953 F1= 7.883 F2= 2.922 null null d= 3.0
assi (( resid 73 and name HB*
))
(( resid 73 and name HN
))
3 1.12 1.12
! peak number c 1212 F1= 2.935 F2= 7.051 null null d= 3.0
assi (( resid 73 and name HB*
))
(( resid 75 and name HD*
))
3 1.16 1.16
! peak number c 2948 F1= 6.765 F2= 2.924 null null d= 4.7
assi (( resid 73 and name HB*
))
(( resid 75 and name HE*
))
4.7 2.76 2.76
! peak number c 2951 F1= 8.271 F2= 2.932 null null d= 3.4
assi (( resid 73 and name HB*
))
(( resid 75 and name HN
))
3.4 1.44 1.44
! peak number c 1223 F1= 7.900 F2= 6.784 null null d= 4.6
assi (( resid 73 and name HN
))
(( resid 75 and name HE*
))
4.59 2.64 2.64
! peak number c 302 F1= 2.105 F2= 4.150 null null d= 2.7
assi (( resid 74 and name HA
))
(( resid 74 and name HB*
))
2.7 0.91 0.91
! peak number c 2839 F1= 4.162 F2= 2.359 null null d= 2.9
assi (( resid 74 and name HA
))
(( resid 74 and name HG*
))
2.9 1.05 1.05
! peak number c 307 F1= 4.169 F2= 4.557 null null d= 3.7
assi (( resid 74 and name HA
))
(( resid 75 and name HA
))
3.7 0.93 0.93
! peak number c 2959 F1= 4.147 F2= 2.738 null null d= 3.8
assi (( resid 74 and name HA
))
(( resid 75 and name HB*
))
3.8 1.80 1.80
! peak number n 521 F1= 4.183 F2= 8.299 null null d= 3.1
assi (( resid 74 and name HA
))
(( resid 75 and name HN
))
3.1 0.78 0.78
! peak number c 2844 F1= 2.127 F2= 2.359 null null d= 2.2
assi (( resid 74 and name HB2
))
(( resid 74 and name HG*
))
2.2 0.61 0.61
! peak number c 2954 F1= 2.742 F2= 2.357 null null d= 3.6
assi (( resid 74 and name HG*
))
(( resid 75 and name HB*
))
3.6 1.62 1.62
! peak number c 2842 F1= 8.292 F2= 2.357 null null d= 3.8
assi (( resid 74 and name HG*
))
(( resid 75 and name HN
))
3.8 1.80 1.80
! peak number c 2958 F1= 4.566 F2= 2.726 null null d= 2.4
assi (( resid 75 and name HA
))
(( resid 75 and name HB*
))
2.4 0.72 0.72
! peak number n 520 F1= 4.579 F2= 8.297 null null d= 2.9
assi (( resid 75 and name HA
))
(( resid 75 and name HN
))
2.9 0.72 0.72
! peak number n 485 F1= 4.575 F2= 7.944 null null d= 3.0
assi (( resid 75 and name HA
))
(( resid 76 and name HN
))
3 0.75 0.75
! peak number c 1042 F1= 2.744 F2= 7.049 null null d= 4.6
assi (( resid 75 and name HB*
))
(( resid 75 and name HD*
))
4.59 2.64 2.64
! peak number c 1221 F1= 2.729 F2= 6.782 null null d= 5.0
assi (( resid 75 and name HB*
))
(( resid 75 and name HE*
))
5 3.12 3.12
! peak number c 2956 F1= 8.268 F2= 2.726 null null d= 3.2
assi (( resid 75 and name HB*
))
(( resid 75 and name HN
))
3.2 1.28 1.28
! peak number c 2957 F1= 7.915 F2= 2.727 null null d= 3.4
assi (( resid 75 and name HB*
))
(( resid 76 and name HN
))
3.4 1.44 1.44
! peak number c 1214 F1= 6.773 F2= 7.051 null null d= 2.5
assi (( resid 75 and name HD*
))
(( resid 75 and name HE*
))
2.5 0.80 0.80
! peak number c 1043 F1= 8.278 F2= 7.051 null null d= 4.3
assi (( resid 75 and name HD*
))
(( resid 75 and name HN
))
4.3 2.31 2.31
! peak number c 1215 F1= 7.902 F2= 7.055 null null d= 4.0
assi (( resid 75 and name HD*
))
(( resid 76 and name HN) or ( resid 73 and name HN
))
4 2.00 2.00
! peak number c 2961 F1= 8.281 F2= 2.911 null null d= 3.3
assi (( resid 75 and name HN
))
(( resid 76 and name HB*
))
3.3 1.36 1.36
! peak number c 1235 F1= 8.269 F2= 6.962 null null d= 5.1
assi (( resid 75 and name HN
))
(( resid 76 and name HD*
))
5.09 3.25 3.25
! peak number c 1234 F1= 8.291 F2= 7.080 null null d= 5.6 dist trop loin
! peak number n 491 F1= 8.294 F2= 7.944 null null d= 3.1
assi (( resid 75 and name HN
))
(( resid 76 and name HN
))
3.1 0.78 0.78
! peak number n 525 F1= 7.931 F2= 8.301 null null d= 3.3
assi (( resid 75 and name HN
))
(( resid 76 and name HN) or ( resid 73 and name HN
))
3.3 1.36 1.36
! peak number n 482 F1= 4.068 F2= 7.943 null null d= 2.6
assi (( resid 76 and name HA
))
(( resid 76 and name HN
))
2.6 0.65 0.65
! peak number c 490 F1= 3.846 F2= 4.086 null null d= 4.5
assi (( resid 76 and name HA) or ( resid 122 and name HA
))
(( resid 77 and name HB*) or ( resid 121 and name HA
))
4.5 2.53 2.53
! peak number c 1041 F1= 2.908 F2= 6.961 null null d= 3.3
assi (( resid 76 and name HB*
))
(( resid 76 and name HD*
))
3.3 1.36 1.36
! peak number c 1040 F1= 2.904 F2= 7.076 null null d= 3.8
assi (( resid 76 and name HB*
))
(( resid 76 and name HE*
))
3.8 1.80 1.80
! peak number c 2499 F1= 8.432 F2= 2.919 null null d= 3.7
assi (( resid 76 and name HB*
))
(( resid 77 and name HN
))
3.7 1.71 1.71
! peak number c 1237 F1= 7.892 F2= 6.961 null null d= 6.1 dist trop loin
! peak number c 1239 F1= 8.460 F2= 6.961 null null d= 5.6 dist trop loin
! peak number c 1236 F1= 7.909 F2= 7.079 null null d= 6.4 dist trop loin
! peak number c 1238 F1= 8.448 F2= 7.075 null null d= 5.9 dist trop loin
! peak number c 309 F1= 3.840 F2= 4.695 null null d= 2.6
assi (( resid 77 and name HA
))
(( resid 77 and name HB*
))
2.6 0.85 0.85
! peak number n 458 F1= 4.661 F2= 8.452 null null d= 4.1
assi (( resid 77 and name HA
))
(( resid 77 and name HN
))
4.09 1.02 1.02
! peak number c 2971 F1= 5.179 F2= 1.318 null null d= 3.2
assi (( resid 78 and name HA
))
(( resid 78 and name HB*
))
3.2 1.28 1.28
! peak number n 282 F1= 5.193 F2= 8.374 null null d= 3.1
assi (( resid 78 and name HA
))
(( resid 79 and name HN
))
3.1 0.78 0.78
! peak number c 2974 F1= 8.530 F2= 1.316 null null d= 3.2
assi (( resid 78 and name HB*
))
(( resid 78 and name HN
))
3.2 1.28 1.28
! peak number n 284 F1= 1.353 F2= 8.374 null null d= 3.3
assi (( resid 78 and name HB*
))
(( resid 79 and name HN
))
3.3 1.36 1.36
! peak number c 2968 F1= 0.383 F2= 1.316 null null d= 3.3
assi (( resid 78 and name HB*
))
(( resid 95 and name HG2*) or ( resid 69 and name HB*
))
3.3 1.36 1.36
! peak number n 280 F1= 4.433 F2= 8.380 null null d= 4.1
assi (( resid 79 and name HA1
))
(( resid 79 and name HN
))
4.09 1.02 1.02
! peak number c 2987 F1= 4.416 F2= 0.849 null null d= 2.9
assi (( resid 79 and name HA1
))
(( resid 80 and name HG2*
))
2.9 1.05 1.05
! peak number n 597 F1= 4.431 F2= 8.260 null null d= 2.8
assi (( resid 79 and name HA1
))
(( resid 80 and name HN
))
2.8 0.70 0.70
! peak number c 3184 F1= 4.407 F2= 0.384 null null d= 3.3
assi (( resid 79 and name HA1
))
(( resid 95 and name HG2*
))
3.3 1.36 1.36
! peak number c 35 F1= 0.396 F2= 4.404 null null d= 3.7
assi (( resid 79 and name HA1
))
(( resid 95 and name HG2*) or ( resid 69 and name HB*
))
3.7 1.71 1.71
! peak number c 41 F1= 3.610 F2= 4.401 null null d= 2.6
assi (( resid 79 and name HA1) or ( resid 11 and name HA2
))
(( resid 79 and name HA2) or ( resid 11 and name HA1
))
2.6 0.85 0.85
! peak number c 187 F1= 4.389 F2= 3.622 null null d= 3.0
assi (( resid 79 and name HA1) or ( resid 45 and name HA2
))
(( resid 79 and name HA2) or ( resid 45 and name HA1
))
3 1.12 1.12
! peak number c 2509 F1= 8.416 F2= 4.396 null null d= 2.8
assi (( resid 79 and name HA1) or ( resid 45 and name HA2
))
(( resid 79 and name HN) or ( resid 45 and name HN
))
2.8 0.98 0.98
! peak number c 186 F1= 3.607 F2= 4.398 null null d= 2.6
assi (( resid 79 and name HA1) or ( resid 45 and name HA2) or ( resid 11 and name HA2
))
(( resid 79 and name HA2) or ( resid 45 and name HA1) or ( resid 11 and name HA1
))
2.6 0.85 0.85
! peak number c 2985 F1= 3.611 F2= 0.856 null null d= 3.5
assi (( resid 79 and name HA2
))
(( resid 80 and name HG2*
))
3.5 1.53 1.53
! peak number n 598 F1= 3.599 F2= 8.264 null null d= 3.1
assi (( resid 79 and name HA2
))
(( resid 80 and name HN
))
3.1 0.78 0.78
! peak number c 3183 F1= 3.582 F2= 0.385 null null d= 3.5
assi (( resid 79 and name HA2
))
(( resid 95 and name HG2*
))
3.5 1.53 1.53
! peak number c 36 F1= 0.409 F2= 3.599 null null d= 4.5
assi (( resid 79 and name HA2
))
(( resid 95 and name HG2*) or ( resid 69 and name HB*
))
4.5 2.53 2.53
! peak number c 2977 F1= 4.620 F2= 3.603 null null d= 3.5
assi (( resid 79 and name HA2
))
(( resid 97 and name HA
))
3.5 0.88 0.88
! peak number c 3227 F1= 3.592 F2= 1.861 null null d= 4.8
assi (( resid 79 and name HA2
))
(( resid 97 and name HB*
))
4.8 2.88 2.88
! peak number c 2508 F1= 8.419 F2= 3.611 null null d= 3.2
assi (( resid 79 and name HA2) or ( resid 45 and name HA1
))
(( resid 79 and name HN) or ( resid 45 and name HN
))
3.2 1.28 1.28
! peak number n 285 F1= 0.438 F2= 8.375 null null d= 3.7
assi (( resid 79 and name HN
))
(( resid 95 and name HG2*) or ( resid 69 and name HB*
))
3.7 1.71 1.71
! peak number c 16 F1= 2.671 F2= 4.653 null null d= 2.7
assi (( resid 7 and name HA
))
(( resid 7 and name HB*
))
2.7 0.88 0.88
! peak number c 18 F1= 4.369 F2= 4.658 null null d= 4.1
assi (( resid 7 and name HA
))
(( resid 8 and name HA
))
4.09 1.02 1.02
! peak number c 2011 F1= 6.912 F2= 2.666 null null d= 4.2
assi (( resid 7 and name HB*
))
(( resid 7 and name HD21
))
4.2 2.15 2.15
! peak number c 2009 F1= 7.547 F2= 2.674 null null d= 3.3
assi (( resid 7 and name HB*
))
(( resid 7 and name HD22
))
3.3 1.36 1.36
! peak number c 2015 F1= 4.375 F2= 2.667 null null d= 4.0
assi (( resid 7 and name HB*
))
(( resid 8 and name HA
))
4 2.00 2.00
! peak number n 1262 F1= 6.917 F2= 7.554 null null d= 2.2
assi (( resid 7 and name HD21
))
(( resid 7 and name HD22
))
2.2 0.63 0.63
! peak number n 1245 F1= 7.588 F2= 6.895 null null d= 2.0
assi (( resid 7 and name HD21) or ( resid 100 and name HE22
))
(( resid 7 and name HD22) or ( resid 100 and name HE21
))
2 0.50 0.50
! peak number c 2981 F1= 4.936 F2= 1.745 null null d= 4.2
assi (( resid 80 and name HA
))
(( resid 80 and name HB
))
4.2 2.26 2.26
! peak number c 318 F1= 0.767 F2= 4.933 null null d= 3.4
assi (( resid 80 and name HA
))
(( resid 80 and name HG1*
))
3.4 1.44 1.44
! peak number c 319 F1= 0.887 F2= 4.933 null null d= 3.4
assi (( resid 80 and name HA
))
(( resid 80 and name HG2*
))
3.4 1.44 1.44
! peak number n 599 F1= 4.945 F2= 8.262 null null d= 3.3
assi (( resid 80 and name HA
))
(( resid 80 and name HN
))
3.3 0.82 0.82
! peak number c 315 F1= 2.218 F2= 4.942 null null d= 5.4 dist trop loin
! peak number c 3005 F1= 4.945 F2= 0.768 null null d= 3.7
assi (( resid 80 and name HA
))
(( resid 81 and name HG1*
))
3.7 1.71 1.71
! peak number n 117 F1= 4.947 F2= 8.409 null null d= 2.6
assi (( resid 80 and name HA
))
(( resid 81 and name HN
))
2.6 0.65 0.65
! peak number c 2980 F1= 0.827 F2= 1.746 null null d= 2.5
assi (( resid 80 and name HB
))
(( resid 80 and name HG2*) or ( resid 80 and name HG1*
))
2.5 0.78 0.78
! peak number c 2982 F1= 8.271 F2= 1.748 null null d= 3.2
assi (( resid 80 and name HB
))
(( resid 80 and name HN
))
3.2 1.24 1.24
! peak number c 2983 F1= 9.373 F2= 1.746 null null d= 3.9
assi (( resid 80 and name HB
))
(( resid 96 and name HN
))
3.9 1.90 1.90
! peak number c 381 F1= 1.750 F2= 4.597 null null d= 3.6
assi (( resid 80 and name HB
))
(( resid 97 and name HA
))
3.6 1.62 1.62
! peak number n 594 F1= 0.805 F2= 8.268 null null d= 3.3
assi (( resid 80 and name HG1*
))
(( resid 80 and name HN
))
3.3 1.36 1.36
! peak number n 112 F1= 0.803 F2= 8.409 null null d= 2.5
assi (( resid 80 and name HG1*
))
(( resid 81 and name HN
))
2.5 0.78 0.78
! peak number c 3756 F1= 2.610 F2= 0.851 null null d= 4.2
assi (( resid 80 and name HG1*
))
(( resid 82 and name HE2
))
4.2 2.21 2.21
! peak number n 83 F1= 0.803 F2= 9.476 null null d= 3.9
assi (( resid 80 and name HG1*
))
(( resid 82 and name HN
))
3.9 1.90 1.90
! peak number c 2765 F1= 0.824 F2= 1.890 null null d= 3.3
assi (( resid 80 and name HG1*
))
(( resid 96 and name HB2
))
3.3 1.36 1.36
! peak number n 595 F1= 0.921 F2= 8.264 null null d= 2.8
assi (( resid 80 and name HG2*
))
(( resid 80 and name HN
))
2.8 0.98 0.98
! peak number n 602 F1= 8.387 F2= 8.265 null null d= 3.5
assi (( resid 80 and name HN
))
(( resid 81 and name HN) or ( resid 79 and name HN
))
3.5 1.53 1.53
! peak number n 600 F1= 4.662 F2= 8.265 null null d= 3.5
assi (( resid 80 and name HN
))
(( resid 95 and name HA
))
3.5 0.88 0.88
! peak number c 3188 F1= 8.276 F2= 0.384 null null d= 3.0
assi (( resid 80 and name HN
))
(( resid 95 and name HG2*
))
3 1.12 1.12
! peak number n 18 F1= 8.265 F2= 9.387 null null d= 3.4
assi (( resid 80 and name HN
))
(( resid 96 and name HN
))
3.4 0.85 0.85
! peak number c 3007 F1= 3.983 F2= 0.768 null null d= 3.5
assi (( resid 81 and name HA
))
(( resid 81 and name HG1*
))
3.5 1.49 1.49
! peak number c 3028 F1= 3.988 F2= 1.014 null null d= 3.6
assi (( resid 81 and name HA
))
(( resid 81 and name HG2*
))
3.6 1.67 1.67
! peak number n 120 F1= 4.003 F2= 8.410 null null d= 4.0
assi (( resid 81 and name HA
))
(( resid 81 and name HN
))
4 1.00 1.00
! peak number n 86 F1= 4.003 F2= 9.480 null null d= 2.9
assi (( resid 81 and name HA
))
(( resid 82 and name HN
))
2.9 0.72 0.72
! peak number c 310 F1= 3.994 F2= 4.685 null null d= 3.7
assi (( resid 81 and name HA
))
(( resid 95 and name HA
))
3.7 0.93 0.93
! peak number c 3199 F1= 3.996 F2= 0.399 null null d= 3.3
assi (( resid 81 and name HA
))
(( resid 95 and name HD1*
))
3.3 1.36 1.36
! peak number c 322 F1= 0.407 F2= 3.983 null null d= 3.5
assi (( resid 81 and name HA
))
(( resid 95 and name HG2*
))
3.5 1.53 1.53
! peak number n 15 F1= 4.022 F2= 9.400 null null d= 4.0
assi (( resid 81 and name HA
))
(( resid 96 and name HN
))
4 1.00 1.00
! peak number c 2991 F1= 0.765 F2= 2.188 null null d= 3.0
assi (( resid 81 and name HB
))
(( resid 81 and name HG1*
))
3 1.12 1.12
! peak number c 2992 F1= 1.015 F2= 2.187 null null d= 3.2
assi (( resid 81 and name HB
))
(( resid 81 and name HG2*
))
3.2 1.28 1.28
! peak number c 2995 F1= 8.397 F2= 2.187 null null d= 3.4
assi (( resid 81 and name HB
))
(( resid 81 and name HN
))
3.4 1.40 1.40
! peak number c 3021 F1= 1.017 F2= 0.766 null null d= 2.4
assi (( resid 81 and name HG1*
))
(( resid 81 and name HG2*
))
2.4 0.72 0.72
! peak number c 3001 F1= 8.383 F2= 0.768 null null d= 3.1
assi (( resid 81 and name HG1*
))
(( resid 81 and name HN
))
3.1 1.20 1.20
! peak number c 2997 F1= 9.415 F2= 0.769 null null d= 3.7
assi (( resid 81 and name HG1*
))
(( resid 82 and name HN
))
3.7 1.71 1.71
! peak number c 3734 F1= 7.470 F2= 0.770 null null d= 4.4
assi (( resid 81 and name HG1*
))
(( resid 83 and name HN
))
4.4 2.42 2.42
! peak number c 3733 F1= 8.578 F2= 0.770 null null d= 4.9
assi (( resid 81 and name HG1*
))
(( resid 84 and name HN
))
4.9 3.00 3.00
! peak number c 3737 F1= 2.854 F2= 0.764 null null d= 3.6
assi (( resid 81 and name HG1*
))
(( resid 93 and name HB1
))
3.6 1.62 1.62
! peak number c 3736 F1= 4.178 F2= 0.768 null null d= 4.5
assi (( resid 81 and name HG1*
))
(( resid 94 and name HA) or ( resid 65 and name HA
))
4.5 2.53 2.53
! peak number c 3006 F1= 4.717 F2= 0.767 null null d= 3.4
assi (( resid 81 and name HG1*
))
(( resid 95 and name HA) or ( resid 82 and name HA
))
3.4 1.44 1.44
! peak number c 3179 F1= 0.773 F2= 0.396 null null d= 3.6
assi (( resid 81 and name HG1*
))
(( resid 95 and name HG2*
))
3.6 1.62 1.62
! peak number c 374 F1= 0.769 F2= 4.659 null null d= 5.5 dist trop loin
! peak number c 3772 F1= 8.378 F2= 1.014 null null d= 3.8
assi (( resid 81 and name HG2*
))
(( resid 81 and name HN
))
3.8 1.80 1.80
! peak number c 3030 F1= 4.703 F2= 1.009 null null d= 2.8
assi (( resid 81 and name HG2*
))
(( resid 82 and name HA
))
2.8 0.98 0.98
! peak number c 3035 F1= 9.422 F2= 1.010 null null d= 3.2
assi (( resid 81 and name HG2*
))
(( resid 82 and name HN
))
3.2 1.28 1.28
! peak number c 3032 F1= 7.444 F2= 1.012 null null d= 3.7
assi (( resid 81 and name HG2*
))
(( resid 83 and name HN
))
3.7 1.71 1.71
! peak number c 1316 F1= 1.036 F2= 7.094 null null d= 5.2
assi (( resid 81 and name HG2*
))
(( resid 84 and name HD2
))
5.2 3.38 3.38
! peak number c 1322 F1= 1.035 F2= 7.604 null null d= 4.6
assi (( resid 81 and name HG2*
))
(( resid 84 and name HE1
))
4.59 2.64 2.64
! peak number c 3031 F1= 7.126 F2= 1.014 null null d= 3.5
assi (( resid 81 and name HG2*
))
(( resid 93 and name HD*
))
3.5 1.53 1.53
! peak number c 228 F1= 1.865 F2= 4.747 null null d= 3.5
assi (( resid 82 and name HA
))
(( resid 82 and name HB1
))
3.5 1.58 1.58
! peak number c 230 F1= 1.202 F2= 4.751 null null d= 4.2
assi (( resid 82 and name HA
))
(( resid 82 and name HB2
))
4.2 2.21 2.21
! peak number n 87 F1= 4.761 F2= 9.478 null null d= 3.2
assi (( resid 82 and name HA
))
(( resid 82 and name HN
))
3.2 0.80 0.80
! peak number n 295 F1= 4.756 F2= 7.463 null null d= 3.2
assi (( resid 82 and name HA
))
(( resid 83 and name HN
))
3.2 0.80 0.80
! peak number c 3037 F1= 1.887 F2= 1.165 null null d= 3.2
assi (( resid 82 and name HB1
))
(( resid 82 and name HB2
))
3.2 1.28 1.28
! peak number c 3040 F1= 9.452 F2= 1.897 null null d= 4.0
assi (( resid 82 and name HB1
))
(( resid 82 and name HN
))
4 2.00 2.00
! peak number c 3042 F1= 2.790 F2= 1.161 null null d= 4.5
assi (( resid 82 and name HB2
))
(( resid 82 and name HE1
))
4.5 2.53 2.53
! peak number c 3041 F1= 9.468 F2= 1.173 null null d= 4.0
assi (( resid 82 and name HB2
))
(( resid 82 and name HN
))
4 2.00 2.00
! peak number c 3043 F1= 1.500 F2= 1.166 null null d= 4.4
assi (( resid 82 and name HB2
))
(( resid 94 and name HB1) or ( resid 101 and name HG2
))
4.4 2.42 2.42
! peak number n 299 F1= 9.479 F2= 7.463 null null d= 3.2
assi (( resid 82 and name HN
))
(( resid 83 and name HN
))
3.2 0.80 0.80
! peak number c 3192 F1= 9.425 F2= 0.401 null null d= 3.6
assi (( resid 82 and name HN
))
(( resid 95 and name HD1*
))
3.6 1.62 1.62
! peak number n 82 F1= 0.432 F2= 9.480 null null d= 3.6
assi (( resid 82 and name HN
))
(( resid 95 and name HG2*) or ( resid 95 and name HD1*
))
3.6 1.62 1.62
! peak number n 293 F1= 4.006 F2= 7.464 null null d= 3.0
assi (( resid 83 and name HA1
))
(( resid 83 and name HN
))
3 0.75 0.75
! peak number n 294 F1= 4.101 F2= 7.464 null null d= 2.8
assi (( resid 83 and name HA2
))
(( resid 83 and name HN
))
2.8 0.70 0.70
! peak number n 588 F1= 4.085 F2= 8.620 null null d= 2.4
assi (( resid 83 and name HA2
))
(( resid 84 and name HN
))
2.4 0.60 0.60
! peak number c 1317 F1= 4.041 F2= 7.098 null null d= 4.1
assi (( resid 83 and name HA*
))
(( resid 84 and name HD2
))
4.09 2.10 2.10
! peak number c 3154 F1= 4.058 F2= 1.483 null null d= 5.0
assi (( resid 83 and name HA*
))
(( resid 94 and name HB1
))
5 3.12 3.12
! peak number n 833 F1= 7.470 F2= 8.328 null null d= 3.5
assi (( resid 83 and name HN) or ( resid 103 and name HH2
))
(( resid 94 and name HN
))
3.5 1.53 1.53
! peak number c 1294 F1= 7.444 F2= 7.128 null null d= 3.8
assi (( resid 83 and name HN) or ( resid 109 and name HN
))
(( resid 93 and name HD*
))
3.8 1.80 1.80
! peak number c 3052 F1= 5.780 F2= 2.886 null null d= 3.8
assi (( resid 84 and name HA
))
(( resid 84 and name HB1
))
3.8 1.80 1.80
! peak number c 3045 F1= 3.025 F2= 5.777 null null d= 3.8
assi (( resid 84 and name HA
))
(( resid 84 and name HB2
))
3.8 1.81 1.81
! peak number n 587 F1= 5.805 F2= 8.623 null null d= 3.4
assi (( resid 84 and name HA
))
(( resid 84 and name HN
))
3.4 0.85 0.85
! peak number c 3046 F1= 9.158 F2= 5.774 null null d= 3.1
assi (( resid 84 and name HA
))
(( resid 85 and name HN
))
3.1 0.78 0.78
! peak number c 328 F1= 0.498 F2= 5.793 null null d= 5.1
assi (( resid 84 and name HA
))
(( resid 91 and name HD1*
))
5.09 3.25 3.25
! peak number c 325 F1= 5.227 F2= 5.793 null null d= 4.2
assi (( resid 84 and name HA
))
(( resid 93 and name HA
))
4.2 1.06 1.06
! peak number c 3044 F1= 2.891 F2= 5.777 null null d= 3.9
assi (( resid 84 and name HA
))
(( resid 93 and name HB2) or ( resid 84 and name HB1
))
3.9 1.90 1.90
! peak number c 327 F1= 2.886 F2= 5.795 null null d= 3.3
assi (( resid 84 and name HA
))
(( resid 93 and name HB*) or ( resid 84 and name HB1
))
3.3 1.36 1.36
! peak number c 3050 F1= 3.015 F2= 2.886 null null d= 2.9
assi (( resid 84 and name HB1
))
(( resid 84 and name HB2
))
2.9 1.05 1.05
! peak number c 3056 F1= 8.600 F2= 2.875 null null d= 3.8
assi (( resid 84 and name HB1
))
(( resid 84 and name HN
))
3.8 1.80 1.80
! peak number c 3054 F1= 9.173 F2= 2.885 null null d= 3.7
assi (( resid 84 and name HB1
))
(( resid 85 and name HN
))
3.7 1.71 1.71
! peak number c 3048 F1= 0.647 F2= 2.888 null null d= 4.1
assi (( resid 84 and name HB1
))
(( resid 91 and name HD2*) or ( resid 63 and name HD1*
))
4.09 2.10 2.10
! peak number c 365 F1= 2.861 F2= 5.229 null null d= 3.4
assi (( resid 84 and name HB1
))
(( resid 93 and name HA
))
3.4 1.44 1.44
! peak number n 830 F1= 2.921 F2= 8.334 null null d= 3.6
assi (( resid 84 and name HB1
))
(( resid 94 and name HN
))
3.6 1.62 1.62
! peak number c 3055 F1= 8.605 F2= 3.014 null null d= 4.4
assi (( resid 84 and name HB2
))
(( resid 84 and name HN
))
4.4 2.42 2.42
! peak number c 3053 F1= 9.172 F2= 3.015 null null d= 3.9
assi (( resid 84 and name HB2
))
(( resid 85 and name HN
))
3.9 1.85 1.85
! peak number c 3047 F1= 0.654 F2= 3.017 null null d= 4.1
assi (( resid 84 and name HB2
))
(( resid 91 and name HD2*
))
4.09 2.10 2.10
! peak number c 364 F1= 3.054 F2= 5.230 null null d= 4.4
assi (( resid 84 and name HB2
))
(( resid 93 and name HA
))
4.4 2.42 2.42
! peak number c 3049 F1= 2.851 F2= 3.004 null null d= 3.2
assi (( resid 84 and name HB2
))
(( resid 93 and name HB1
))
3.2 1.28 1.28
! peak number c 1047 F1= 3.029 F2= 7.127 null null d= 3.0
assi (( resid 84 and name HB2) or ( resid 128 and name HB*
))
(( resid 93 and name HD*) or ( resid 128 and name HD*
))
3 1.12 1.12
! peak number c 3195 F1= 7.172 F2= 0.403 null null d= 3.1
assi (( resid 84 and name HD2) or ( resid 104 and name HD*
))
(( resid 95 and name HD1*
))
3.1 1.20 1.20
! peak number c 3187 F1= 7.175 F2= 0.385 null null d= 3.8
assi (( resid 84 and name HD2) or ( resid 104 and name HD*
))
(( resid 95 and name HG2*
))
3.8 1.80 1.80
! peak number c 3066 F1= 4.679 F2= 1.396 null null d= 3.5
assi (( resid 85 and name HA
))
(( resid 85 and name HB1
))
3.5 1.53 1.53
! peak number c 3065 F1= 4.680 F2= 1.584 null null d= 3.1
assi (( resid 85 and name HA
))
(( resid 85 and name HB2
))
3.1 1.20 1.20
! peak number c 3088 F1= 4.728 F2= 2.339 null null d= 4.5
assi (( resid 85 and name HA
))
(( resid 85 and name HD1
))
4.5 2.53 2.53
! peak number c 3089 F1= 4.727 F2= 1.928 null null d= 4.6
assi (( resid 85 and name HA
))
(( resid 85 and name HD2
))
4.59 2.64 2.64
! peak number c 331 F1= 1.093 F2= 4.666 null null d= 4.4
assi (( resid 85 and name HA
))
(( resid 85 and name HG1
))
4.4 2.42 2.42
! peak number c 330 F1= 0.979 F2= 4.667 null null d= 4.4
assi (( resid 85 and name HA
))
(( resid 85 and name HG2
))
4.4 2.42 2.42
! peak number n 976 F1= 4.694 F2= 9.176 null null d= 3.2
assi (( resid 85 and name HA
))
(( resid 85 and name HN
))
3.2 0.80 0.80
! peak number n 178 F1= 4.670 F2= 8.740 null null d= 2.6
assi (( resid 85 and name HA
))
(( resid 86 and name HN
))
2.6 0.65 0.65
! peak number c 2279 F1= 4.696 F2= 1.625 null null d= 3.6
assi (( resid 85 and name HA) or ( resid 32 and name HA
))
(( resid 86 and name HB*) or ( resid 31 and name HB1
))
3.6 1.62 1.62
! peak number c 3062 F1= 1.606 F2= 1.392 null null d= 2.8
assi (( resid 85 and name HB1
))
(( resid 85 and name HB2
))
2.8 0.98 0.98
! peak number c 3060 F1= 2.354 F2= 1.397 null null d= 3.8
assi (( resid 85 and name HB1
))
(( resid 85 and name HD1
))
3.8 1.85 1.85
! peak number c 3061 F1= 1.938 F2= 1.382 null null d= 3.6
assi (( resid 85 and name HB1
))
(( resid 85 and name HD2
))
3.6 1.62 1.62
! peak number c 3064 F1= 1.115 F2= 1.388 null null d= 3.7
assi (( resid 85 and name HB1
))
(( resid 85 and name HG1
))
3.7 1.71 1.71
! peak number c 3068 F1= 9.160 F2= 1.380 null null d= 3.8
assi (( resid 85 and name HB1
))
(( resid 85 and name HN
))
3.8 1.80 1.80
! peak number n 176 F1= 1.420 F2= 8.743 null null d= 4.0
assi (( resid 85 and name HB1
))
(( resid 86 and name HN
))
4 2.00 2.00
! peak number c 3808 F1= 2.965 F2= 1.393 null null d= 4.7
assi (( resid 85 and name HB1
))
(( resid 92 and name HB2
))
4.7 2.76 2.76
! peak number c 1299 F1= 1.382 F2= 6.750 null null d= 4.0
assi (( resid 85 and name HB1
))
(( resid 92 and name HE*
))
4 2.00 2.00
! peak number c 3059 F1= 2.357 F2= 1.583 null null d= 3.5
assi (( resid 85 and name HB2
))
(( resid 85 and name HD1
))
3.5 1.53 1.53
! peak number c 3085 F1= 1.595 F2= 1.929 null null d= 3.2
assi (( resid 85 and name HB2
))
(( resid 85 and name HD2
))
3.2 1.28 1.28
! peak number c 3058 F1= 1.135 F2= 1.583 null null d= 3.3
assi (( resid 85 and name HB2
))
(( resid 85 and name HG1
))
3.3 1.36 1.36
! peak number c 3057 F1= 1.012 F2= 1.584 null null d= 3.3
assi (( resid 85 and name HB2
))
(( resid 85 and name HG2
))
3.3 1.36 1.36
! peak number c 3067 F1= 9.163 F2= 1.572 null null d= 4.1
assi (( resid 85 and name HB2
))
(( resid 85 and name HN
))
4.09 2.10 2.10
! peak number c 3224 F1= 8.742 F2= 1.584 null null d= 3.5
assi (( resid 85 and name HB2
))
(( resid 86 and name HN
))
3.5 1.58 1.58
! peak number c 3086 F1= 2.343 F2= 1.927 null null d= 2.5
assi (( resid 85 and name HD1
))
(( resid 85 and name HD2
))
2.5 0.78 0.78
! peak number c 3079 F1= 1.120 F2= 2.337 null null d= 3.5
assi (( resid 85 and name HD1
))
(( resid 85 and name HG1
))
3.5 1.53 1.53
! peak number c 3078 F1= 1.015 F2= 2.337 null null d= 3.2
assi (( resid 85 and name HD1
))
(( resid 85 and name HG2
))
3.2 1.28 1.28
! peak number c 3081 F1= 1.125 F2= 1.928 null null d= 3.5
assi (( resid 85 and name HD2
))
(( resid 85 and name HG1
))
3.5 1.53 1.53
! peak number c 3080 F1= 1.009 F2= 1.928 null null d= 3.3
assi (( resid 85 and name HD2
))
(( resid 85 and name HG2
))
3.3 1.36 1.36
! peak number n 1190 F1= 1.901 F2= 8.412 null null d= 3.7
assi (( resid 85 and name HD2
))
(( resid 91 and name HN
))
3.7 1.71 1.71
! peak number n 970 F1= 1.129 F2= 9.175 null null d= 3.8
assi (( resid 85 and name HG1
))
(( resid 85 and name HN
))
3.8 1.80 1.80
! peak number n 969 F1= 1.003 F2= 9.174 null null d= 4.1
assi (( resid 85 and name HG2
))
(( resid 85 and name HN
))
4.09 2.10 2.10
! peak number c 3074 F1= 1.660 F2= 1.006 null null d= 3.2
assi (( resid 85 and name HG2
))
(( resid 86 and name HB*
))
3.2 1.28 1.28
! peak number c 1144 F1= 0.957 F2= 6.874 null null d= 3.5
assi (( resid 85 and name HG2
))
(( resid 92 and name HD*
))
3.5 1.53 1.53
! peak number c 3072 F1= 7.150 F2= 1.011 null null d= 3.6
assi (( resid 85 and name HG2
))
(( resid 93 and name HD*
))
3.6 1.62 1.62
! peak number c 3070 F1= 8.272 F2= 1.012 null null d= 4.5
assi (( resid 85 and name HG2
))
(( resid 94 and name HN
))
4.5 2.53 2.53
! peak number n 968 F1= 0.678 F2= 9.178 null null d= 3.3
assi (( resid 85 and name HN
))
(( resid 91 and name HD2*
))
3.3 1.36 1.36
! peak number n 1281 F1= 5.236 F2= 9.174 null null d= 4.0
assi (( resid 85 and name HN
))
(( resid 93 and name HA
))
4 1.00 1.00
! peak number c 3092 F1= 1.658 F2= 5.301 null null d= 3.2
assi (( resid 86 and name HA
))
(( resid 86 and name HB*
))
3.2 1.31 1.31
! peak number c 340 F1= 1.579 F2= 5.326 null null d= 3.4
assi (( resid 86 and name HA
))
(( resid 86 and name HD*) or ( resid 85 and name HB2
))
3.4 1.44 1.44
! peak number c 3112 F1= 5.302 F2= 2.824 null null d= 5.2
assi (( resid 86 and name HA
))
(( resid 86 and name HE*
))
5.2 3.38 3.38
! peak number c 3100 F1= 5.300 F2= 1.189 null null d= 3.9
assi (( resid 86 and name HA
))
(( resid 86 and name HG1
))
3.9 1.90 1.90
! peak number c 3099 F1= 5.307 F2= 1.304 null null d= 4.0
assi (( resid 86 and name HA
))
(( resid 86 and name HG2
))
4 1.95 1.95
! peak number n 180 F1= 5.327 F2= 8.743 null null d= 3.9
assi (( resid 86 and name HA
))
(( resid 86 and name HN
))
3.9 0.97 0.97
! peak number c 3093 F1= 8.767 F2= 5.302 null null d= 3.0
assi (( resid 86 and name HA
))
(( resid 87 and name HN
))
3 0.75 0.75
! peak number n 1085 F1= 5.337 F2= 7.957 null null d= 3.9
assi (( resid 86 and name HA
))
(( resid 90 and name HN
))
3.9 0.97 0.97
! peak number c 341 F1= 4.856 F2= 5.325 null null d= 3.7
assi (( resid 86 and name HA
))
(( resid 91 and name HA
))
3.7 0.93 0.93
! peak number c 336 F1= 0.656 F2= 5.325 null null d= 4.3
assi (( resid 86 and name HA
))
(( resid 91 and name HD2*
))
4.3 2.31 2.31
! peak number c 3136 F1= 5.309 F2= 1.124 null null d= 4.2
assi (( resid 86 and name HA
))
(( resid 91 and name HG
))
4.2 2.21 2.21
! peak number c 337 F1= 1.178 F2= 5.324 null null d= 4.4
assi (( resid 86 and name HA
))
(( resid 91 and name HG) or ( resid 86 and name HG1
))
4.4 2.42 2.42
! peak number c 2248 F1= 5.307 F2= 1.564 null null d= 3.6
assi (( resid 86 and name HA) or ( resid 28 and name HA
))
(( resid 86 and name HD*) or ( resid 28 and name HD*
))
3.6 1.62 1.62
! peak number n 179 F1= 1.696 F2= 8.744 null null d= 3.2
assi (( resid 86 and name HB1
))
(( resid 86 and name HN
))
3.2 1.28 1.28
! peak number n 193 F1= 1.705 F2= 8.782 null null d= 3.2
assi (( resid 86 and name HB1
))
(( resid 87 and name HN
))
3.2 1.28 1.28
! peak number n 183 F1= 1.633 F2= 8.783 null null d= 3.1
assi (( resid 86 and name HB2
))
(( resid 87 and name HN
))
3.1 1.20 1.20
! peak number c 3098 F1= 1.174 F2= 1.623 null null d= 3.1
assi (( resid 86 and name HB*
))
(( resid 86 and name HG1
))
3.1 1.20 1.20
! peak number c 3097 F1= 1.311 F2= 1.624 null null d= 2.9
assi (( resid 86 and name HB*
))
(( resid 86 and name HG2
))
2.9 1.05 1.05
! peak number c 3094 F1= 8.755 F2= 1.635 null null d= 3.3
assi (( resid 86 and name HB*
))
(( resid 86 and name HN
))
3.3 1.36 1.36
! peak number c 2281 F1= 4.845 F2= 1.616 null null d= 3.9
assi (( resid 86 and name HB*) or ( resid 31 and name HB1
))
(( resid 91 and name HA) or ( resid 39 and name HA
))
3.9 1.90 1.90
! peak number c 3108 F1= 1.563 F2= 2.826 null null d= 2.2
assi (( resid 86 and name HD*
))
(( resid 86 and name HE*
))
2.2 0.61 0.61
! peak number c 2246 F1= 8.790 F2= 1.566 null null d= 3.7
assi (( resid 86 and name HD*
))
(( resid 86 and name HN
))
3.7 1.71 1.71
! peak number c 2254 F1= 1.217 F2= 1.568 null null d= 2.1
assi (( resid 86 and name HD*) or ( resid 37 and name HD*) or ( resid 28 and name HD*) or ( resid 102 and name HD*
))
(( resid 86 and name HG1) or ( resid 37 and name HG2) or ( resid 28 and name HG*) or ( resid 102 and name HG1
))
2.1 0.55 0.55
! peak number c 3107 F1= 1.211 F2= 2.824 null null d= 2.4
assi (( resid 86 and name HE*
))
(( resid 86 and name HG1
))
2.4 0.72 0.72
! peak number c 3105 F1= 0.650 F2= 2.824 null null d= 3.2
assi (( resid 86 and name HE*) or ( resid 59 and name HB2
))
(( resid 91 and name HD2*) or ( resid 61 and name HD1*
))
3.2 1.28 1.28
! peak number c 3102 F1= 8.759 F2= 1.186 null null d= 4.1
assi (( resid 86 and name HG1
))
(( resid 86 and name HN
))
4.09 2.10 2.10
! peak number c 3101 F1= 8.764 F2= 1.308 null null d= 3.5
assi (( resid 86 and name HG2
))
(( resid 86 and name HN
))
3.5 1.58 1.58
! peak number c 3118 F1= 4.527 F2= 1.922 null null d= 3.3
assi (( resid 87 and name HA
))
(( resid 87 and name HB1
))
3.3 1.36 1.36
! peak number c 3117 F1= 4.543 F2= 1.745 null null d= 3.2
assi (( resid 87 and name HA
))
(( resid 87 and name HB2
))
3.2 1.28 1.28
! peak number c 345 F1= 2.043 F2= 4.539 null null d= 2.8
assi (( resid 87 and name HA
))
(( resid 87 and name HG*
))
2.8 0.98 0.98
! peak number n 187 F1= 4.562 F2= 8.780 null null d= 3.4
assi (( resid 87 and name HA
))
(( resid 87 and name HN
))
3.4 0.85 0.85
! peak number c 3126 F1= 4.570 F2= 2.044 null null d= 2.8
assi (( resid 87 and name HA) or ( resid 50 and name HA
))
(( resid 87 and name HG*) or ( resid 50 and name HB
))
2.8 0.98 0.98
! peak number c 3119 F1= 1.731 F2= 1.931 null null d= 2.4
assi (( resid 87 and name HB1
))
(( resid 87 and name HB2
))
2.4 0.72 0.72
! peak number c 3113 F1= 8.755 F2= 1.927 null null d= 3.5
assi (( resid 87 and name HB1
))
(( resid 87 and name HN
))
3.5 1.58 1.58
! peak number c 3116 F1= 6.758 F2= 1.946 null null d= 3.1
assi (( resid 87 and name HB1
))
(( resid 92 and name HE*
))
3.1 1.20 1.20
! peak number c 2565 F1= 1.763 F2= 2.047 null null d= 2.6
assi (( resid 87 and name HB2
))
(( resid 87 and name HG*
))
2.6 0.85 0.85
! peak number c 3114 F1= 8.784 F2= 1.752 null null d= 3.9
assi (( resid 87 and name HB2
))
(( resid 87 and name HN
))
3.9 1.85 1.85
! peak number c 3120 F1= 1.966 F2= 1.759 null null d= 2.4
assi (( resid 87 and name HB2
))
(( resid 90 and name HB*
))
2.4 0.72 0.72
! peak number c 1297 F1= 1.761 F2= 6.750 null null d= 3.5
assi (( resid 87 and name HB2
))
(( resid 92 and name HE*
))
3.5 1.53 1.53
! peak number n 186 F1= 2.071 F2= 8.782 null null d= 3.1
assi (( resid 87 and name HN
))
(( resid 90 and name HG*
))
3.1 1.20 1.20
! peak number c 3121 F1= 8.770 F2= 2.043 null null d= 3.9
assi (( resid 87 and name HN
))
(( resid 90 and name HG*) or ( resid 87 and name HG*
))
3.9 1.90 1.90
! peak number n 1093 F1= 8.776 F2= 7.952 null null d= 3.5
assi (( resid 87 and name HN
))
(( resid 90 and name HN
))
3.5 0.86 0.86
! peak number n 189 F1= 4.883 F2= 8.786 null null d= 3.6
assi (( resid 87 and name HN
))
(( resid 91 and name HA
))
3.6 0.90 0.90
! peak number c 1072 F1= 8.771 F2= 6.747 null null d= 5.0
assi (( resid 87 and name HN
))
(( resid 92 and name HE*
))
5 3.12 3.12
! peak number c 3130 F1= 4.185 F2= 3.658 null null d= 2.6
assi (( resid 89 and name HA1
))
(( resid 89 and name HA2
))
2.6 0.66 0.66
! peak number n 1086 F1= 3.687 F2= 7.954 null null d= 4.2
assi (( resid 89 and name HA1
))
(( resid 90 and name HN
))
4.2 1.05 1.05
! peak number c 349 F1= 4.615 F2= 3.655 null null d= 4.8
assi (( resid 89 and name HA1) or ( resid 22 and name HA1
))
(( resid 90 and name HA) or ( resid 23 and name HA
))
4.8 2.88 2.88
! peak number c 348 F1= 4.589 F2= 4.178 null null d= 4.5
assi (( resid 89 and name HA2
))
(( resid 90 and name HA
))
4.5 1.12 1.12
! peak number n 1082 F1= 4.188 F2= 7.954 null null d= 3.3
assi (( resid 89 and name HA2
))
(( resid 90 and name HN
))
3.3 0.82 0.82
! peak number c 23 F1= 3.662 F2= 4.388 null null d= 2.8
assi (( resid 8 and name HA
))
(( resid 8 and name HB1
))
2.8 0.98 0.98
! peak number c 24 F1= 3.764 F2= 4.387 null null d= 2.7
assi (( resid 8 and name HA
))
(( resid 8 and name HB2
))
2.7 0.91 0.91
! peak number n 1028 F1= 4.413 F2= 8.758 null null d= 2.9
assi (( resid 8 and name HA
))
(( resid 9 and name HN
))
2.9 0.72 0.72
! peak number n 1027 F1= 3.798 F2= 8.756 null null d= 3.7
assi (( resid 8 and name HB2
))
(( resid 9 and name HN
))
3.7 1.71 1.71
! peak number c 3132 F1= 4.590 F2= 2.009 null null d= 3.2
assi (( resid 90 and name HA
))
(( resid 90 and name HB*
))
3.2 1.28 1.28
! peak number c 350 F1= 2.059 F2= 4.605 null null d= 2.8
assi (( resid 90 and name HA
))
(( resid 90 and name HG*
))
2.8 0.98 0.98
! peak number n 1083 F1= 4.619 F2= 7.953 null null d= 2.9
assi (( resid 90 and name HA
))
(( resid 90 and name HN
))
2.9 0.72 0.72
! peak number c 352 F1= 4.841 F2= 4.601 null null d= 3.9
assi (( resid 90 and name HA
))
(( resid 91 and name HA
))
3.9 0.97 0.97
! peak number n 115 F1= 4.616 F2= 8.407 null null d= 2.6
assi (( resid 90 and name HA
))
(( resid 91 and name HN
))
2.6 0.65 0.65
! peak number c 1220 F1= 4.571 F2= 6.778 null null d= 5.0
assi (( resid 90 and name HA) or ( resid 75 and name HA
))
(( resid 92 and name HE*) or ( resid 75 and name HE*
))
5 3.06 3.06
! peak number n 1087 F1= 2.030 F2= 7.953 null null d= 2.7
assi (( resid 90 and name HB1
))
(( resid 90 and name HN
))
2.7 0.91 0.91
! peak number n 113 F1= 2.020 F2= 8.404 null null d= 3.1
assi (( resid 90 and name HB1
))
(( resid 91 and name HN
))
3.1 1.20 1.20
! peak number n 1094 F1= 1.965 F2= 7.953 null null d= 3.4
assi (( resid 90 and name HB2) or ( resid 87 and name HB1
))
(( resid 90 and name HN
))
3.4 1.44 1.44
! peak number c 3134 F1= 8.384 F2= 1.988 null null d= 3.7
assi (( resid 90 and name HB*
))
(( resid 91 and name HN
))
3.7 1.71 1.71
! peak number c 1298 F1= 1.981 F2= 6.749 null null d= 2.8
assi (( resid 90 and name HB*
))
(( resid 92 and name HE*
))
2.8 0.98 0.98
! peak number c 3124 F1= 7.948 F2= 2.044 null null d= 2.9
assi (( resid 90 and name HG*
))
(( resid 90 and name HN
))
2.9 1.02 1.02
! peak number c 3122 F1= 8.382 F2= 2.039 null null d= 3.7
assi (( resid 90 and name HG*
))
(( resid 91 and name HN
))
3.7 1.71 1.71
! peak number c 3125 F1= 6.894 F2= 2.043 null null d= 3.9
assi (( resid 90 and name HG*
))
(( resid 92 and name HD*
))
3.9 1.90 1.90
! peak number n 1092 F1= 8.398 F2= 7.953 null null d= 4.0
assi (( resid 90 and name HN
))
(( resid 91 and name HN
))
4 1.00 1.00
! peak number n 1089 F1= 6.736 F2= 7.945 null null d= 4.2
assi (( resid 90 and name HN
))
(( resid 92 and name HE*
))
4.2 2.21 2.21
! peak number c 358 F1= 1.560 F2= 4.863 null null d= 4.7
assi (( resid 91 and name HA
))
(( resid 91 and name HB1
))
4.7 2.76 2.76
! peak number c 357 F1= 1.314 F2= 4.880 null null d= 5.1
assi (( resid 91 and name HA
))
(( resid 91 and name HB2
))
5.09 3.25 3.25
! peak number c 354 F1= 0.492 F2= 4.870 null null d= 5.2
assi (( resid 91 and name HA
))
(( resid 91 and name HD1*
))
5.2 3.38 3.38
! peak number c 355 F1= 0.655 F2= 4.871 null null d= 3.6
assi (( resid 91 and name HA
))
(( resid 91 and name HD2*
))
3.6 1.62 1.62
! peak number c 3137 F1= 4.847 F2= 1.140 null null d= 4.0
assi (( resid 91 and name HA
))
(( resid 91 and name HG
))
4 1.95 1.95
! peak number c 1151 F1= 4.865 F2= 6.879 null null d= 4.5
assi (( resid 91 and name HA
))
(( resid 92 and name HD*
))
4.5 2.48 2.48
! peak number n 236 F1= 4.891 F2= 9.304 null null d= 2.9
assi (( resid 91 and name HA
))
(( resid 92 and name HN
))
2.9 0.72 0.72
! peak number n 234 F1= 1.537 F2= 9.309 null null d= 4.1
assi (( resid 91 and name HB1
))
(( resid 92 and name HN
))
4.09 2.10 2.10
! peak number c 3402 F1= 0.515 F2= 1.544 null null d= 3.4
assi (( resid 91 and name HB1) or ( resid 111 and name HB2
))
(( resid 91 and name HD1*) or ( resid 61 and name HG1*
))
3.4 1.44 1.44
! peak number n 1192 F1= 1.340 F2= 8.412 null null d= 3.2
assi (( resid 91 and name HB2
))
(( resid 91 and name HN
))
3.2 1.28 1.28
! peak number n 233 F1= 1.353 F2= 9.304 null null d= 4.4
assi (( resid 91 and name HB2
))
(( resid 92 and name HN
))
4.4 2.42 2.42
! peak number c 3403 F1= 0.508 F2= 1.470 null null d= 3.3
assi (( resid 91 and name HB2) or ( resid 111 and name HB1
))
(( resid 91 and name HD1*) or ( resid 61 and name HG1*
))
3.3 1.36 1.36
! peak number c 3076 F1= 0.472 F2= 1.131 null null d= 2.9
assi (( resid 91 and name HD1*
))
(( resid 91 and name HG
))
2.9 1.05 1.05
! peak number c 3138 F1= 0.665 F2= 1.136 null null d= 3.3
assi (( resid 91 and name HD2*
))
(( resid 91 and name HG
))
3.3 1.36 1.36
! peak number n 231 F1= 0.682 F2= 9.305 null null d= 3.0
assi (( resid 91 and name HD2*
))
(( resid 92 and name HN
))
3 1.12 1.12
! peak number c 3135 F1= 9.289 F2= 1.128 null null d= 4.0
assi (( resid 91 and name HG
))
(( resid 92 and name HN
))
4 2.00 2.00
! peak number n 232 F1= 1.158 F2= 9.302 null null d= 3.8
assi (( resid 91 and name HG) or ( resid 85 and name HG1
))
(( resid 92 and name HN
))
3.8 1.80 1.80
! peak number c 3148 F1= 5.283 F2= 2.683 null null d= 4.2
assi (( resid 92 and name HA
))
(( resid 92 and name HB1
))
4.2 2.20 2.20
! peak number c 360 F1= 2.970 F2= 5.298 null null d= 4.0
assi (( resid 92 and name HA
))
(( resid 92 and name HB2
))
4 2.00 2.00
! peak number c 1308 F1= 5.289 F2= 6.894 null null d= 3.9
assi (( resid 92 and name HA
))
(( resid 92 and name HD*
))
3.9 1.90 1.90
! peak number c 1071 F1= 5.298 F2= 6.750 null null d= 5.5 dist trop loin
! peak number n 237 F1= 5.327 F2= 9.302 null null d= 3.4
assi (( resid 92 and name HA) or ( resid 86 and name HA
))
(( resid 92 and name HN
))
3.4 1.44 1.44
! peak number c 1067 F1= 2.698 F2= 6.894 null null d= 3.9
assi (( resid 92 and name HB1
))
(( resid 92 and name HD*
))
3.9 1.95 1.95
! peak number c 3141 F1= 9.269 F2= 2.691 null null d= 3.8
assi (( resid 92 and name HB1
))
(( resid 92 and name HN
))
3.8 1.85 1.85
! peak number c 3144 F1= 9.946 F2= 2.705 null null d= 3.8
assi (( resid 92 and name HB1
))
(( resid 93 and name HN
))
3.8 1.76 1.76
! peak number c 3859 F1= 6.861 F2= 2.987 null null d= 4.4
assi (( resid 92 and name HB2
))
(( resid 92 and name HD*
))
4.4 2.42 2.42
! peak number c 3147 F1= 5.254 F2= 2.971 null null d= 3.9
assi (( resid 92 and name HB2
))
(( resid 93 and name HA
))
3.9 1.90 1.90
! peak number c 3145 F1= 9.932 F2= 2.967 null null d= 3.9
assi (( resid 92 and name HB2
))
(( resid 93 and name HN
))
3.9 1.90 1.90
! peak number c 1066 F1= 2.949 F2= 6.888 null null d= 3.3
assi (( resid 92 and name HB2) or ( resid 38 and name HB2
))
(( resid 92 and name HD*) or ( resid 38 and name HD*
))
3.3 1.36 1.36
! peak number c 1070 F1= 2.965 F2= 6.746 null null d= 4.5
assi (( resid 92 and name HB2) or ( resid 73 and name HB*
))
(( resid 92 and name HE*) or ( resid 75 and name HE*
))
4.5 2.53 2.53
! peak number c 1218 F1= 2.923 F2= 6.780 null null d= 3.6
assi (( resid 92 and name HB2) or ( resid 73 and name HB*) or ( resid 103 and name HB1
))
(( resid 92 and name HE*) or ( resid 75 and name HE*
))
3.6 1.62 1.62
! peak number c 1068 F1= 6.742 F2= 6.895 null null d= 2.7
assi (( resid 92 and name HD*
))
(( resid 92 and name HE*
))
2.7 0.91 0.91
! peak number c 1064 F1= 9.298 F2= 6.899 null null d= 3.5
assi (( resid 92 and name HD*
))
(( resid 92 and name HN
))
3.5 1.58 1.58
! peak number c 1302 F1= 9.307 F2= 6.747 null null d= 6.0 dist trop loin
! peak number c 3894 F1= 5.244 F2= 2.823 null null d= 4.4
assi (( resid 93 and name HA
))
(( resid 93 and name HB1
))
4.4 2.42 2.42
! peak number c 3893 F1= 5.228 F2= 2.894 null null d= 4.4
assi (( resid 93 and name HA
))
(( resid 93 and name HB2
))
4.4 2.42 2.42
! peak number c 1293 F1= 5.226 F2= 7.140 null null d= 4.3
assi (( resid 93 and name HA
))
(( resid 93 and name HD*
))
4.3 2.31 2.31
! peak number n 827 F1= 5.239 F2= 8.332 null null d= 2.9
assi (( resid 93 and name HA
))
(( resid 94 and name HN
))
2.9 0.72 0.72
! peak number c 366 F1= 0.399 F2= 5.229 null null d= 4.2
assi (( resid 93 and name HA
))
(( resid 95 and name HD1*
))
4.2 2.21 2.21
! peak number c 3891 F1= 7.122 F2= 2.828 null null d= 3.9
assi (( resid 93 and name HB1
))
(( resid 93 and name HD*
))
3.9 1.90 1.90
! peak number c 3897 F1= 0.413 F2= 2.825 null null d= 3.8
assi (( resid 93 and name HB1
))
(( resid 95 and name HD1*
))
3.8 1.80 1.80
! peak number c 3176 F1= 2.851 F2= 1.174 null null d= 5.2
assi (( resid 93 and name HB1
))
(( resid 95 and name HG12
))
5.2 3.38 3.38
! peak number c 3892 F1= 7.123 F2= 2.894 null null d= 4.1
assi (( resid 93 and name HB2
))
(( resid 93 and name HD*
))
4.09 2.10 2.10
! peak number c 3201 F1= 2.862 F2= 0.399 null null d= 3.7
assi (( resid 93 and name HB2
))
(( resid 95 and name HD1*
))
3.7 1.67 1.67
! peak number c 3696 F1= 2.906 F2= 0.388 null null d= 4.1
assi (( resid 93 and name HB2
))
(( resid 95 and name HG2*
))
4.09 2.10 2.10
! peak number c 1285 F1= 2.856 F2= 7.136 null null d= 3.4
assi (( resid 93 and name HB*
))
(( resid 93 and name HD*
))
3.4 1.44 1.44
! peak number n 635 F1= 2.840 F2= 9.897 null null d= 3.2
assi (( resid 93 and name HB*
))
(( resid 93 and name HN
))
3.2 1.28 1.28
! peak number c 1295 F1= 9.921 F2= 7.142 null null d= 4.3
assi (( resid 93 and name HD*
))
(( resid 93 and name HN
))
4.3 2.31 2.31
! peak number n 832 F1= 7.133 F2= 8.324 null null d= 3.9
assi (( resid 93 and name HD*
))
(( resid 94 and name HN
))
3.9 1.90 1.90
! peak number c 1287 F1= 0.430 F2= 7.143 null null d= 3.6
assi (( resid 93 and name HD*
))
(( resid 95 and name HD1*
))
3.6 1.62 1.62
! peak number c 1289 F1= 1.013 F2= 7.142 null null d= 4.2
assi (( resid 93 and name HD*) or ( resid 128 and name HD*
))
(( resid 95 and name HG11) or ( resid 81 and name HG2*) or ( resid 51 and name HD2*
))
4.2 2.21 2.21
! peak number c 1296 F1= 1.487 F2= 6.751 null null d= 4.1
assi (( resid 93 and name HE*) or ( resid 92 and name HE*
))
(( resid 94 and name HB1
))
4.09 2.10 2.10
! peak number n 643 F1= 0.438 F2= 9.898 null null d= 3.8
assi (( resid 93 and name HN
))
(( resid 95 and name HD1*
))
3.8 1.80 1.80
! peak number c 3153 F1= 4.155 F2= 1.482 null null d= 4.8
assi (( resid 94 and name HA
))
(( resid 94 and name HB1
))
4.8 2.94 2.94
! peak number c 3158 F1= 4.157 F2= 2.654 null null d= 4.0
assi (( resid 94 and name HA
))
(( resid 94 and name HB2
))
4 1.95 1.95
! peak number n 826 F1= 4.133 F2= 8.326 null null d= 3.3
assi (( resid 94 and name HA
))
(( resid 94 and name HN
))
3.3 0.82 0.82
! peak number n 28 F1= 4.137 F2= 8.990 null null d= 2.8
assi (( resid 94 and name HA
))
(( resid 95 and name HN
))
2.8 0.70 0.70
! peak number n 829 F1= 1.518 F2= 8.334 null null d= 3.2
assi (( resid 94 and name HB1
))
(( resid 94 and name HN
))
3.2 1.28 1.28
! peak number n 828 F1= 2.706 F2= 8.332 null null d= 3.6
assi (( resid 94 and name HB2
))
(( resid 94 and name HN
))
3.6 1.62 1.62
! peak number c 3167 F1= 4.697 F2= 2.004 null null d= 5.6 dist trop loin
! peak number c 3198 F1= 4.678 F2= 0.403 null null d= 3.0
assi (( resid 95 and name HA
))
(( resid 95 and name HD1*
))
3 1.12 1.12
! peak number c 375 F1= 1.011 F2= 4.667 null null d= 5.0
assi (( resid 95 and name HA
))
(( resid 95 and name HG11
))
5 3.12 3.12
! peak number c 300 F1= 0.396 F2= 4.666 null null d= 3.0
assi (( resid 95 and name HA
))
(( resid 95 and name HG2*
))
3 1.09 1.09
! peak number n 30 F1= 4.668 F2= 8.997 null null d= 3.5
assi (( resid 95 and name HA
))
(( resid 95 and name HN
))
3.5 0.88 0.88
! peak number n 16 F1= 4.678 F2= 9.385 null null d= 2.8
assi (( resid 95 and name HA
))
(( resid 96 and name HN
))
2.8 0.70 0.70
! peak number c 3202 F1= 1.998 F2= 0.401 null null d= 3.0
assi (( resid 95 and name HB
))
(( resid 95 and name HD1*
))
3 1.12 1.12
! peak number c 3171 F1= 2.018 F2= 1.012 null null d= 3.6
assi (( resid 95 and name HB
))
(( resid 95 and name HG11
))
3.6 1.62 1.62
! peak number c 3163 F1= 1.186 F2= 1.993 null null d= 4.5
assi (( resid 95 and name HB
))
(( resid 95 and name HG12
))
4.5 2.48 2.48
! peak number c 3159 F1= 0.405 F2= 1.999 null null d= 2.9
assi (( resid 95 and name HB
))
(( resid 95 and name HG2*) or ( resid 69 and name HB*
))
2.9 1.05 1.05
! peak number c 3166 F1= 8.965 F2= 2.005 null null d= 3.6
assi (( resid 95 and name HB
))
(( resid 95 and name HN
))
3.6 1.67 1.67
! peak number c 3168 F1= 0.406 F2= 1.013 null null d= 2.8
assi (( resid 95 and name HD1*
))
(( resid 95 and name HG11
))
2.8 0.98 0.98
! peak number c 3178 F1= 0.385 F2= 1.174 null null d= 3.0
assi (( resid 95 and name HD1*
))
(( resid 95 and name HG12
))
3 1.09 1.09
! peak number c 3193 F1= 8.970 F2= 0.400 null null d= 3.4
assi (( resid 95 and name HD1*
))
(( resid 95 and name HN
))
3.4 1.44 1.44
! peak number c 3180 F1= 0.989 F2= 0.385 null null d= 3.2
assi (( resid 95 and name HG11
))
(( resid 95 and name HG2*
))
3.2 1.28 1.28
! peak number n 27 F1= 1.053 F2= 8.980 null null d= 3.7
assi (( resid 95 and name HG11
))
(( resid 95 and name HN
))
3.7 1.71 1.71
! peak number c 3181 F1= 1.188 F2= 0.388 null null d= 3.2
assi (( resid 95 and name HG12
))
(( resid 95 and name HG2*
))
3.2 1.28 1.28
! peak number n 25 F1= 1.205 F2= 8.992 null null d= 3.8
assi (( resid 95 and name HG12
))
(( resid 95 and name HN
))
3.8 1.80 1.80
! peak number c 3189 F1= 8.954 F2= 0.383 null null d= 3.8
assi (( resid 95 and name HG2*
))
(( resid 95 and name HN
))
3.8 1.80 1.80
! peak number c 3190 F1= 9.372 F2= 0.384 null null d= 3.1
assi (( resid 95 and name HG2*
))
(( resid 96 and name HN
))
3.1 1.20 1.20
! peak number c 221 F1= 1.907 F2= 5.065 null null d= 4.3
assi (( resid 96 and name HA
))
(( resid 96 and name HB2
))
4.3 2.31 2.31
! peak number n 68 F1= 5.078 F2= 8.887 null null d= 2.7
assi (( resid 96 and name HA
))
(( resid 97 and name HN
))
2.7 0.68 0.68
! peak number c 3220 F1= 9.367 F2= 1.584 null null d= 4.2
assi (( resid 96 and name HB1
))
(( resid 96 and name HN
))
4.2 2.26 2.26
! peak number n 13 F1= 1.962 F2= 9.378 null null d= 2.9
assi (( resid 96 and name HB2
))
(( resid 96 and name HN
))
2.9 1.05 1.05
! peak number n 12 F1= 1.754 F2= 9.372 null null d= 3.7
assi (( resid 96 and name HG1
))
(( resid 96 and name HN
))
3.7 1.71 1.71
! peak number n 72 F1= 1.742 F2= 8.891 null null d= 3.2
assi (( resid 96 and name HG1
))
(( resid 97 and name HN
))
3.2 1.28 1.28
! peak number n 269 F1= 1.729 F2= 8.715 null null d= 3.9
assi (( resid 96 and name HG1
))
(( resid 99 and name HN
))
3.9 1.90 1.90
! peak number c 3226 F1= 4.618 F2= 1.879 null null d= 3.3
assi (( resid 97 and name HA
))
(( resid 97 and name HB*
))
3.3 1.36 1.36
! peak number c 382 F1= 1.611 F2= 4.601 null null d= 4.8
assi (( resid 97 and name HA
))
(( resid 97 and name HD*
))
4.8 2.88 2.88
! peak number c 384 F1= 1.348 F2= 4.601 null null d= 4.2
assi (( resid 97 and name HA
))
(( resid 97 and name HG1
))
4.2 2.21 2.21
! peak number c 383 F1= 1.489 F2= 4.599 null null d= 3.8
assi (( resid 97 and name HA
))
(( resid 97 and name HG2
))
3.8 1.80 1.80
! peak number n 70 F1= 4.623 F2= 8.883 null null d= 3.3
assi (( resid 97 and name HA
))
(( resid 97 and name HN
))
3.3 0.82 0.82
! peak number c 387 F1= 4.584 F2= 3.903 null null d= 4.9
assi (( resid 97 and name HA
))
(( resid 98 and name HA
))
4.9 1.23 1.23
! peak number n 264 F1= 4.643 F2= 8.712 null null d= 3.6
assi (( resid 97 and name HA
))
(( resid 99 and name HN
))
3.6 0.90 0.90
! peak number n 71 F1= 1.934 F2= 8.889 null null d= 2.6
assi (( resid 97 and name HB2
))
(( resid 97 and name HN
))
2.6 0.85 0.85
! peak number n 268 F1= 1.944 F2= 8.712 null null d= 3.2
assi (( resid 97 and name HB2
))
(( resid 99 and name HN
))
3.2 1.28 1.28
! peak number c 3228 F1= 2.941 F2= 1.851 null null d= 4.4
assi (( resid 97 and name HB*
))
(( resid 97 and name HE*
))
4.4 2.42 2.42
! peak number c 3229 F1= 1.356 F2= 1.866 null null d= 3.1
assi (( resid 97 and name HB*
))
(( resid 97 and name HG1
))
3.1 1.20 1.20
! peak number c 3225 F1= 8.873 F2= 1.862 null null d= 3.5
assi (( resid 97 and name HB*
))
(( resid 97 and name HN
))
3.5 1.53 1.53
! peak number c 3849 F1= 2.238 F2= 1.848 null null d= 4.0
assi (( resid 97 and name HB*
))
(( resid 98 and name HB2
))
4 2.00 2.00
! peak number n 73 F1= 1.632 F2= 8.885 null null d= 3.4
assi (( resid 97 and name HD*) or ( resid 96 and name HB1
))
(( resid 97 and name HN
))
3.4 1.44 1.44
! peak number c 3231 F1= 2.937 F2= 1.355 null null d= 3.2
assi (( resid 97 and name HE*
))
(( resid 97 and name HG1
))
3.2 1.28 1.28
! peak number c 3230 F1= 2.929 F2= 1.473 null null d= 3.1
assi (( resid 97 and name HE*
))
(( resid 97 and name HG2
))
3.1 1.20 1.20
! peak number c 3233 F1= 2.279 F2= 1.351 null null d= 3.4
assi (( resid 97 and name HG1
))
(( resid 98 and name HB2
))
3.4 1.44 1.44
! peak number c 3232 F1= 2.289 F2= 1.473 null null d= 3.3
assi (( resid 97 and name HG2
))
(( resid 98 and name HB2
))
3.3 1.36 1.36
! peak number n 272 F1= 8.900 F2= 8.706 null null d= 3.6
assi (( resid 97 and name HN
))
(( resid 99 and name HN
))
3.6 0.90 0.90
! peak number c 385 F1= 1.998 F2= 3.903 null null d= 2.8
assi (( resid 98 and name HA
))
(( resid 98 and name HB1
))
2.8 0.98 0.98
! peak number c 386 F1= 2.258 F2= 3.903 null null d= 2.4
assi (( resid 98 and name HA
))
(( resid 98 and name HG*) or ( resid 98 and name HB2
))
2.4 0.72 0.72
! peak number n 262 F1= 3.920 F2= 8.708 null null d= 3.0
assi (( resid 98 and name HA
))
(( resid 99 and name HN
))
3 0.75 0.75
! peak number c 3237 F1= 3.900 F2= 1.989 null null d= 3.9
assi (( resid 98 and name HA) or ( resid 115 and name HA
))
(( resid 98 and name HB1) or ( resid 115 and name HB1
))
3.9 1.90 1.90
! peak number c 3234 F1= 3.900 F2= 2.278 null null d= 3.4
assi (( resid 98 and name HA) or ( resid 115 and name HA
))
(( resid 98 and name HB2) or ( resid 115 and name HB2
))
3.4 1.44 1.44
! peak number c 2845 F1= 2.015 F2= 2.251 null null d= 1.8
assi (( resid 98 and name HB1
))
(( resid 98 and name HG*
))
1.8 0.41 0.41
! peak number n 267 F1= 2.040 F2= 8.700 null null d= 3.5
assi (( resid 98 and name HB1
))
(( resid 99 and name HN
))
3.5 1.53 1.53
! peak number c 3235 F1= 1.970 F2= 2.261 null null d= 2.3
assi (( resid 98 and name HB1) or ( resid 115 and name HB1
))
(( resid 98 and name HB2) or ( resid 115 and name HB2
))
2.29 0.66 0.66
! peak number c 146 F1= 3.567 F2= 4.104 null null d= 2.7
assi (( resid 99 and name HA1
))
(( resid 99 and name HA2
))
2.7 0.68 0.68
! peak number c 3240 F1= 8.686 F2= 3.573 null null d= 3.0
assi (( resid 99 and name HA1
))
(( resid 99 and name HN
))
3 0.75 0.75
! peak number c 3241 F1= 8.662 F2= 4.105 null null d= 2.9
assi (( resid 99 and name HA2
))
(( resid 99 and name HN
))
2.9 0.71 0.71
! peak number c 30 F1= 2.697 F2= 4.637 null null d= 3.9
assi (( resid 9 and name HA
))
(( resid 9 and name HB1
))
3.9 1.90 1.90
! peak number c 2021 F1= 4.657 F2= 3.203 null null d= 3.3
assi (( resid 9 and name HA
))
(( resid 9 and name HB2
))
3.3 1.36 1.36
! peak number c 1037 F1= 4.652 F2= 7.144 null null d= 4.9
assi (( resid 9 and name HA
))
(( resid 9 and name HD*
))
4.9 3.00 3.00
! peak number n 1029 F1= 4.652 F2= 8.757 null null d= 3.6
assi (( resid 9 and name HA
))
(( resid 9 and name HN
))
3.6 0.90 0.90
! peak number c 1036 F1= 4.659 F2= 7.286 null null d= 4.7
assi (( resid 9 and name HA) or ( resid 32 and name HA
))
(( resid 9 and name HE*
))
4.7 2.76 2.76
! peak number c 2013 F1= 3.217 F2= 2.679 null null d= 2.8
assi (( resid 9 and name HB1
))
(( resid 9 and name HB2
))
2.8 0.98 0.98
! peak number c 1039 F1= 2.678 F2= 7.150 null null d= 3.9
assi (( resid 9 and name HB1
))
(( resid 9 and name HD*
))
3.9 1.90 1.90
! peak number c 1034 F1= 2.683 F2= 7.293 null null d= 5.1
assi (( resid 9 and name HB1
))
(( resid 9 and name HE*
))
5.09 3.25 3.25
! peak number c 2008 F1= 8.745 F2= 2.692 null null d= 3.8
assi (( resid 9 and name HB1
))
(( resid 9 and name HN
))
3.8 1.85 1.85
! peak number c 1038 F1= 3.210 F2= 7.150 null null d= 3.9
assi (( resid 9 and name HB2
))
(( resid 9 and name HD*
))
3.9 1.90 1.90
! peak number c 2018 F1= 8.732 F2= 3.205 null null d= 4.0
assi (( resid 9 and name HB2
))
(( resid 9 and name HN
))
4 2.00 2.00
! peak number c 1035 F1= 3.234 F2= 7.290 null null d= 5.2
assi (( resid 9 and name HB2) or ( resid 116 and name HA2
))
(( resid 9 and name HE*) or ( resid 24 and name HE*
))
5.2 1.30 1.30
Contact the webmaster for help, if required. Wednesday, May 1, 2024 9:03:40 AM GMT (wattos1)