NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
11050 |
1quz   |
4541 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! peak number d 271 F1= 4.153 F2= 1.490 null null d= 2.7
assi (( resid 1 and name HA))
(( resid 1 and name HB*))
2.7 0.67 0.67
! peak number d 106 F1= 1.427 F2= 3.841 null null d= 2.8
assi (( resid 10 and name HA))
(( resid 10 and name HB*))
2.8 0.69 0.69
! peak number d 336 F1= 3.839 F2= 3.363 null null d= 4.0
assi (( resid 10 and name HA))
(( resid 13 and name HB2))
4.0 1.00 1.00
! peak number d 164 F1= 3.840 F2= 2.869 null null d= 4.0
assi (( resid 10 and name HA))
(( resid 13 and name HB3))
4.0 1.00 1.00
! peak number d 221 F1= 3.840 F2= 2.097 null null d= 3.9
assi (( resid 10 and name HA))
(( resid 20 and name HB3))
3.9 0.97 0.97
! peak number h 179 F1= 7.232 F2= 3.844 null null d= 3.2
assi (( resid 10 and name HN))
(( resid 10 and name HA))
3.2 0.48 0.48
! peak number h 342 F1= 7.234 F2= 1.430 null null d= 2.8
assi (( resid 10 and name HN))
(( resid 10 and name HB*))
2.8 0.70 0.70
! peak number h 187 F1= 7.233 F2= 3.648 null null d= 3.9
assi (( resid 10 and name HN))
(( resid 12 and name HD*))
3.9 0.97 0.97
! peak number h 236 F1= 7.244 F2= 2.862 null null d= 3.8
assi (( resid 10 and name HN))
(( resid 13 and name HB3))
3.8 0.95 0.95
! peak number d 57 F1= 2.745 F2= 4.633 null null d= 4.0
assi (( resid 11 and name HA))
(( resid 11 and name HB2))
4.0 1.00 1.00
! peak number d 232 F1= 4.637 F2= 2.007 null null d= 3.1
assi (( resid 11 and name HA))
(( resid 14 and name HB2))
3.1 0.78 0.78
! peak number h 181 F1= 8.743 F2= 3.827 null null d= 3.8
assi (( resid 11 and name HN))
(( resid 10 and name HA))
3.8 0.57 0.57
! peak number h 25 F1= 1.437 F2= 8.724 null null d= 3.0
assi (( resid 11 and name HN))
(( resid 10 and name HB*))
3.0 0.74 0.74
! peak number h 21 F1= 7.233 F2= 8.736 null null d= 3.3
assi (( resid 11 and name HN))
(( resid 10 and name HN))
3.3 0.50 0.50
! peak number h 139 F1= 8.738 F2= 4.640 null null d= 3.3
assi (( resid 11 and name HN))
(( resid 11 and name HA))
3.3 0.49 0.49
! peak number h 23 F1= 2.742 F2= 8.734 null null d= 3.0
assi (( resid 11 and name HN))
(( resid 11 and name HB2))
3.0 0.74 0.74
! peak number h 185 F1= 8.736 F2= 3.645 null null d= 2.8
assi (( resid 11 and name HN))
(( resid 12 and name HD*))
2.8 0.69 0.69
! peak number d 205 F1= 4.269 F2= 2.255 null null d= 2.4
assi (( resid 12 and name HA))
(( resid 12 and name HB2))
2.4 0.61 0.61
! peak number d 255 F1= 4.267 F2= 1.744 null null d= 2.8
assi (( resid 12 and name HA))
(( resid 12 and name HB3))
2.8 0.71 0.71
! peak number d 110 F1= 4.269 F2= 3.654 null null d= 3.7
assi (( resid 12 and name HA))
(( resid 12 and name HD*))
3.7 0.93 0.93
! peak number d 220 F1= 4.269 F2= 2.103 null null d= 3.2
assi (( resid 12 and name HA))
(( resid 12 and name HG3))
3.2 0.80 0.80
! peak number d 240 F1= 4.268 F2= 1.905 null null d= 3.2
assi (( resid 12 and name HA))
(( resid 15 and name HB3))
3.2 0.80 0.80
! peak number d 209 F1= 1.740 F2= 2.256 null null d= 2.1
assi (( resid 12 and name HB2))
(( resid 12 and name HB3))
2.1 0.52 0.52
! peak number d 111 F1= 2.740 F2= 3.652 null null d= 2.7
assi (( resid 12 and name HD*))
(( resid 11 and name HB2))
2.7 0.67 0.67
! peak number d 112 F1= 2.650 F2= 3.649 null null d= 2.8
assi (( resid 12 and name HD*))
(( resid 11 and name HB3))
2.8 0.70 0.70
! peak number d 256 F1= 3.645 F2= 1.743 null null d= 3.2
assi (( resid 12 and name HD*))
(( resid 12 and name HB3))
3.2 0.80 0.80
! peak number d 113 F1= 2.252 F2= 3.651 null null d= 2.7
assi (( resid 12 and name HD*))
(( resid 12 and name HG2))
2.7 0.68 0.68
! peak number d 114 F1= 2.101 F2= 3.654 null null d= 2.7
assi (( resid 12 and name HD*))
(( resid 12 and name HG3))
2.7 0.68 0.68
! peak number h 281 F1= 1.486 F2= 2.238 null null d= 2.9
assi (( resid 12 and name HG2))
(( resid 1 and name HB*))
2.9 0.72 0.72
! peak number h 379 F1= 2.248 F2= 2.095 null null d= 1.8
assi (( resid 12 and name HG2))
(( resid 12 and name HG3))
1.8 0.45 0.45
! peak number h 356 F1= 1.724 F2= 2.094 null null d= 2.4
assi (( resid 12 and name HG3))
(( resid 12 and name HB3))
2.4 0.60 0.60
! peak number d 122 F1= 4.876 F2= 3.381 null null d= 2.7
assi (( resid 13 and name HA))
(( resid 13 and name HB2))
2.7 0.66 0.66
! peak number d 161 F1= 4.875 F2= 2.869 null null d= 3.0
assi (( resid 13 and name HA))
(( resid 13 and name HB3))
3.0 0.75 0.75
! peak number d 203 F1= 4.875 F2= 2.254 null null d= 2.6
assi (( resid 13 and name HA))
(( resid 16 and name HG*))
2.6 0.66 0.66
! peak number d 296 F1= 4.878 F2= 1.137 null null d= 4.4
assi (( resid 13 and name HA))
(( resid 17 and name HG2*))
4.4 1.10 1.10
! peak number d 125 F1= 2.859 F2= 3.384 null null d= 2.0
assi (( resid 13 and name HB2))
(( resid 13 and name HB3))
2.0 0.49 0.49
! peak number h 161 F1= 8.050 F2= 4.268 null null d= 4.3
assi (( resid 13 and name HN))
(( resid 12 and name HA))
4.3 0.64 0.64
! peak number h 316 F1= 8.054 F2= 1.733 null null d= 3.3
assi (( resid 13 and name HN))
(( resid 12 and name HB3))
3.3 0.82 0.82
! peak number h 186 F1= 8.056 F2= 3.644 null null d= 3.3
assi (( resid 13 and name HN))
(( resid 12 and name HD*))
3.3 0.82 0.82
! peak number h 273 F1= 8.052 F2= 2.249 null null d= 3.3
assi (( resid 13 and name HN))
(( resid 12 and name HG2))
3.3 0.84 0.84
! peak number h 200 F1= 8.050 F2= 3.375 null null d= 3.7
assi (( resid 13 and name HN))
(( resid 13 and name HB2))
3.7 0.93 0.93
! peak number h 241 F1= 8.052 F2= 2.853 null null d= 2.8
assi (( resid 13 and name HN))
(( resid 13 and name HB3))
2.8 0.69 0.69
! peak number d 130 F1= 2.011 F2= 3.357 null null d= 3.5
assi (( resid 14 and name HA))
(( resid 14 and name HB2))
3.5 0.88 0.88
! peak number d 126 F1= 1.825 F2= 3.361 null null d= 2.9
assi (( resid 14 and name HA))
(( resid 14 and name HB3))
2.9 0.73 0.73
! peak number d 127 F1= 1.470 F2= 3.362 null null d= 3.1
assi (( resid 14 and name HA))
(( resid 14 and name HG*))
3.1 0.79 0.79
! peak number h 357 F1= 1.831 F2= 2.015 null null d= 1.8
assi (( resid 14 and name HB2))
(( resid 14 and name HB3))
1.8 0.45 0.45
! peak number d 234 F1= 1.481 F2= 1.998 null null d= 2.4
assi (( resid 14 and name HB2))
(( resid 14 and name HG*))
2.4 0.60 0.60
! peak number d 251 F1= 1.476 F2= 1.828 null null d= 1.8
assi (( resid 14 and name HB3))
(( resid 14 and name HG*))
1.8 0.45 0.45
! peak number d 145 F1= 2.002 F2= 3.195 null null d= 4.0
assi (( resid 14 and name HD*))
(( resid 14 and name HB2))
4.0 1.01 1.01
! peak number d 146 F1= 1.825 F2= 3.191 null null d= 4.2
assi (( resid 14 and name HD*))
(( resid 14 and name HB3))
4.2 1.05 1.05
! peak number d 147 F1= 1.473 F2= 3.196 null null d= 2.7
assi (( resid 14 and name HD*))
(( resid 14 and name HG*))
2.7 0.66 0.66
! peak number h 219 F1= 7.310 F2= 3.191 null null d= 3.2
assi (( resid 14 and name HE))
(( resid 14 and name HD*))
3.2 0.80 0.80
! peak number h 434 F1= 7.307 F2= 1.459 null null d= 3.7
assi (( resid 14 and name HE))
(( resid 14 and name HG*))
3.7 0.93 0.93
! peak number h 435 F1= 7.311 F2= 1.848 null null d= 4.5
assi (( resid 14 and name HE))
(( resid 20 and name HG2))
4.5 1.12 1.12
! peak number h 568 F1= 8.363 F2= 3.827 null null d= 4.5
assi (( resid 14 and name HN))
(( resid 10 and name HA))
4.5 0.67 0.67
! peak number h 569 F1= 8.362 F2= 4.275 null null d= 4.6
assi (( resid 14 and name HN))
(( resid 12 and name HA))
4.6 0.69 0.69
! peak number h 240 F1= 8.368 F2= 2.850 null null d= 3.5
assi (( resid 14 and name HN))
(( resid 13 and name HB3))
3.5 0.88 0.88
! peak number h 426 F1= 8.367 F2= 8.056 null null d= 3.0
assi (( resid 14 and name HN))
(( resid 13 and name HN))
3.0 0.45 0.45
! peak number h 199 F1= 8.370 F2= 3.357 null null d= 3.2
assi (( resid 14 and name HN))
(( resid 14 and name HA) or ( resid 13 and name HB2))
3.2 0.80 0.80
! peak number h 295 F1= 8.367 F2= 1.990 null null d= 3.2
assi (( resid 14 and name HN))
(( resid 14 and name HB2))
3.2 0.80 0.80
! peak number h 311 F1= 8.367 F2= 1.820 null null d= 3.0
assi (( resid 14 and name HN))
(( resid 14 and name HB3))
3.0 0.74 0.74
! peak number h 337 F1= 8.368 F2= 1.466 null null d= 4.5
assi (( resid 14 and name HN))
(( resid 14 and name HG*))
4.5 1.11 1.11
! peak number h 37 F1= 7.538 F2= 8.370 null null d= 3.1
assi (( resid 14 and name HN))
(( resid 15 and name HN))
3.1 0.47 0.47
! peak number d 280 F1= 4.028 F2= 1.456 null null d= 2.9
assi (( resid 15 and name HA))
(( resid 14 and name HG*))
2.9 0.71 0.71
! peak number d 241 F1= 4.025 F2= 1.909 null null d= 2.9
assi (( resid 15 and name HA))
(( resid 15 and name HB3))
2.9 0.75 0.75
! peak number h 517 F1= 1.436 F2= 4.033 null null d= 3.0
assi (( resid 15 and name HA))
(( resid 15 and name HG3))
3.0 0.75 0.75
! peak number h 514 F1= 1.423 F2= 1.659 null null d= 1.8
assi (( resid 15 and name HD*))
(( resid 15 and name HG3))
1.8 0.45 0.45
! peak number h 232 F1= 1.671 F2= 2.956 null null d= 2.7
assi (( resid 15 and name HE*))
(( resid 15 and name HD*))
2.7 0.68 0.68
! peak number h 451 F1= 7.537 F2= 4.271 null null d= 4.1
assi (( resid 15 and name HN))
(( resid 12 and name HA))
4.1 0.61 0.61
! peak number h 203 F1= 7.553 F2= 3.361 null null d= 3.7
assi (( resid 15 and name HN))
(( resid 14 and name HA))
3.7 0.56 0.56
! peak number h 293 F1= 7.537 F2= 2.000 null null d= 3.1
assi (( resid 15 and name HN))
(( resid 14 and name HB2))
3.1 0.78 0.78
! peak number h 341 F1= 7.536 F2= 1.452 null null d= 4.0
assi (( resid 15 and name HN))
(( resid 14 and name HG*))
4.0 1.00 1.00
! peak number h 170 F1= 7.539 F2= 4.024 null null d= 3.3
assi (( resid 15 and name HN))
(( resid 15 and name HA))
3.3 0.49 0.49
! peak number h 372 F1= 1.885 F2= 7.536 null null d= 2.9
assi (( resid 15 and name HN))
(( resid 15 and name HB3))
2.9 0.72 0.72
! peak number d 194 F1= 4.221 F2= 2.489 null null d= 3.2
assi (( resid 16 and name HA))
(( resid 16 and name HB*))
3.2 0.81 0.81
! peak number d 212 F1= 4.219 F2= 2.250 null null d= 2.6
assi (( resid 16 and name HA))
(( resid 16 and name HG*))
2.6 0.66 0.66
! peak number d 192 F1= 2.254 F2= 2.497 null null d= 1.9
assi (( resid 16 and name HB*))
(( resid 16 and name HG*))
1.9 0.47 0.47
! peak number d 211 F1= 1.137 F2= 2.250 null null d= 3.0
assi (( resid 16 and name HG*))
(( resid 17 and name HG2*))
3.0 0.74 0.74
! peak number h 561 F1= 8.113 F2= 3.360 null null d= 4.9
assi (( resid 16 and name HN))
(( resid 14 and name HA))
4.9 0.73 0.73
! peak number h 168 F1= 8.115 F2= 4.027 null null d= 3.8
assi (( resid 16 and name HN))
(( resid 15 and name HA))
3.8 0.57 0.57
! peak number h 299 F1= 8.114 F2= 1.909 null null d= 3.2
assi (( resid 16 and name HN))
(( resid 15 and name HB3))
3.2 0.81 0.81
! peak number h 82 F1= 8.115 F2= 7.535 null null d= 2.9
assi (( resid 16 and name HN))
(( resid 15 and name HN))
2.9 0.43 0.43
! peak number h 162 F1= 8.115 F2= 4.221 null null d= 3.2
assi (( resid 16 and name HN))
(( resid 16 and name HA))
3.2 0.48 0.48
! peak number h 433 F1= 8.113 F2= 2.471 null null d= 4.1
assi (( resid 16 and name HN))
(( resid 16 and name HB*))
4.1 1.02 1.02
! peak number h 279 F1= 8.112 F2= 2.234 null null d= 2.8
assi (( resid 16 and name HN))
(( resid 16 and name HG*))
2.8 0.69 0.69
! peak number d 323 F1= 2.249 F2= 4.735 null null d= 3.2
assi (( resid 17 and name HA))
(( resid 16 and name HG*))
3.2 0.80 0.80
! peak number d 311 F1= 4.733 F2= 1.137 null null d= 3.0
assi (( resid 17 and name HA))
(( resid 17 and name HG2*))
3.0 0.74 0.74
! peak number d 298 F1= 4.507 F2= 1.133 null null d= 2.5
assi (( resid 17 and name HB))
(( resid 17 and name HG2*))
2.5 0.63 0.63
! peak number h 367 F1= 8.840 F2= 3.347 null null d= 4.6
assi (( resid 17 and name HN))
(( resid 14 and name HA))
4.6 0.69 0.69
! peak number h 14 F1= 2.239 F2= 8.828 null null d= 2.9
assi (( resid 17 and name HN))
(( resid 16 and name HG*))
2.9 0.72 0.72
! peak number h 13 F1= 8.114 F2= 8.834 null null d= 3.2
assi (( resid 17 and name HN))
(( resid 16 and name HN))
3.2 0.48 0.48
! peak number h 15 F1= 1.129 F2= 8.828 null null d= 3.3
assi (( resid 17 and name HN))
(( resid 17 and name HG2*))
3.3 0.82 0.82
! peak number h 20 F1= 7.753 F2= 8.836 null null d= 2.5
assi (( resid 17 and name HN))
(( resid 18 and name HN))
2.5 0.38 0.38
! peak number d 72 F1= 4.028 F2= 4.453 null null d= 1.9
assi (( resid 18 and name HA1))
(( resid 18 and name HA2))
1.9 0.28 0.28
! peak number d 87 F1= 3.361 F2= 4.041 null null d= 3.2
assi (( resid 18 and name HA2))
(( resid 14 and name HA))
3.2 0.48 0.48
! peak number h 202 F1= 7.751 F2= 3.352 null null d= 3.3
assi (( resid 18 and name HN))
(( resid 14 and name HA))
3.3 0.49 0.49
! peak number h 169 F1= 7.753 F2= 4.044 null null d= 2.6
assi (( resid 18 and name HN))
(( resid 18 and name HA2))
2.6 0.39 0.39
! peak number d 349 F1= 3.357 F2= 5.199 null null d= 4.4
assi (( resid 19 and name HA))
(( resid 14 and name HA))
4.4 0.66 0.66
! peak number d 140 F1= 5.197 F2= 3.219 null null d= 2.8
assi (( resid 19 and name HA))
(( resid 19 and name HB2))
2.8 0.70 0.70
! peak number d 148 F1= 5.194 F2= 3.008 null null d= 2.9
assi (( resid 19 and name HA))
(( resid 19 and name HB3))
2.9 0.71 0.71
! peak number d 307 F1= 5.196 F2= 1.490 null null d= 4.1
assi (( resid 19 and name HA))
(( resid 20 and name HB2))
4.1 1.02 1.02
! peak number d 118 F1= 5.190 F2= 3.551 null null d= 2.2
assi (( resid 19 and name HA))
(( resid 20 and name HD*))
2.2 0.54 0.54
! peak number d 306 F1= 5.193 F2= 1.239 null null d= 5.0
assi (( resid 19 and name HA))
(( resid 20 and name HG3))
5.0 1.25 1.25
! peak number h 201 F1= 7.998 F2= 3.358 null null d= 3.2
assi (( resid 19 and name HN))
(( resid 14 and name HA))
3.2 0.48 0.48
! peak number h 100 F1= 7.996 F2= 5.193 null null d= 3.6
assi (( resid 19 and name HN))
(( resid 19 and name HA))
3.6 0.54 0.54
! peak number h 218 F1= 8.002 F2= 3.215 null null d= 3.1
assi (( resid 19 and name HN))
(( resid 19 and name HB2))
3.1 0.78 0.78
! peak number h 222 F1= 8.001 F2= 3.038 null null d= 3.2
assi (( resid 19 and name HN))
(( resid 19 and name HB3))
3.2 0.81 0.81
! peak number h 572 F1= 8.003 F2= 3.557 null null d= 5.0
assi (( resid 19 and name HN))
(( resid 20 and name HD*))
5.0 1.25 1.25
! peak number d 18 F1= 3.910 F2= 5.090 null null d= 2.8
assi (( resid 2 and name HA))
(( resid 2 and name HB2))
2.8 0.70 0.70
! peak number h 369 F1= 8.794 F2= 4.164 null null d= 2.6
assi (( resid 2 and name HN))
(( resid 1 and name HA))
2.6 0.39 0.39
! peak number h 332 F1= 8.796 F2= 1.483 null null d= 3.4
assi (( resid 2 and name HN))
(( resid 1 and name HB*))
3.4 0.85 0.85
! peak number h 104 F1= 8.796 F2= 5.085 null null d= 3.4
assi (( resid 2 and name HN))
(( resid 2 and name HA))
3.4 0.51 0.51
! peak number h 370 F1= 8.796 F2= 3.931 null null d= 3.1
assi (( resid 2 and name HN))
(( resid 2 and name HB2))
3.1 0.78 0.78
! peak number d 101 F1= 4.739 F2= 3.844 null null d= 3.2
assi (( resid 20 and name HA))
(( resid 10 and name HA))
3.2 0.49 0.49
! peak number d 312 F1= 4.737 F2= 1.441 null null d= 3.1
assi (( resid 20 and name HA))
(( resid 10 and name HB*))
3.1 0.78 0.78
! peak number d 48 F1= 3.380 F2= 4.735 null null d= 4.3
assi (( resid 20 and name HA))
(( resid 13 and name HB2))
4.3 1.07 1.07
! peak number d 163 F1= 4.738 F2= 2.868 null null d= 3.3
assi (( resid 20 and name HA))
(( resid 13 and name HB3))
3.3 0.82 0.82
! peak number d 272 F1= 4.737 F2= 1.525 null null d= 2.8
assi (( resid 20 and name HA))
(( resid 20 and name HB2))
2.8 0.70 0.70
! peak number d 315 F1= 4.737 F2= 3.540 null null d= 4.5
assi (( resid 20 and name HA))
(( resid 20 and name HD*))
4.5 1.12 1.12
! peak number d 297 F1= 4.738 F2= 1.245 null null d= 3.5
assi (( resid 20 and name HA))
(( resid 20 and name HG3))
3.5 0.88 0.88
! peak number d 294 F1= 1.529 F2= 1.237 null null d= 2.1
assi (( resid 20 and name HB2))
(( resid 20 and name HG3))
2.1 0.53 0.53
! peak number d 225 F1= 1.435 F2= 2.092 null null d= 3.0
assi (( resid 20 and name HB3))
(( resid 10 and name HB*))
3.0 0.75 0.75
! peak number d 224 F1= 1.509 F2= 2.090 null null d= 2.0
assi (( resid 20 and name HB3))
(( resid 20 and name HB2))
2.0 0.49 0.49
! peak number d 226 F1= 1.233 F2= 2.089 null null d= 2.9
assi (( resid 20 and name HB3))
(( resid 20 and name HG3))
2.9 0.72 0.72
! peak number d 152 F1= 3.536 F2= 3.017 null null d= 2.5
assi (( resid 20 and name HD*))
(( resid 19 and name HB3))
2.5 0.62 0.62
! peak number d 120 F1= 1.501 F2= 3.544 null null d= 3.0
assi (( resid 20 and name HD*))
(( resid 20 and name HB2))
3.0 0.74 0.74
! peak number d 223 F1= 3.547 F2= 2.093 null null d= 3.8
assi (( resid 20 and name HD*))
(( resid 20 and name HB3))
3.8 0.95 0.95
! peak number d 119 F1= 1.862 F2= 3.544 null null d= 2.6
assi (( resid 20 and name HD*))
(( resid 20 and name HG2))
2.6 0.64 0.64
! peak number d 121 F1= 1.232 F2= 3.543 null null d= 2.6
assi (( resid 20 and name HD*))
(( resid 20 and name HG3))
2.6 0.66 0.66
! peak number d 244 F1= 1.234 F2= 1.863 null null d= 2.0
assi (( resid 20 and name HG2))
(( resid 20 and name HG3))
2.0 0.51 0.51
! peak number d 46 F1= 2.986 F2= 4.753 null null d= 3.0
assi (( resid 21 and name HA))
(( resid 21 and name HB2))
3.0 0.75 0.75
! peak number d 155 F1= 2.682 F2= 3.018 null null d= 1.8
assi (( resid 21 and name HB2))
(( resid 21 and name HB3))
1.8 0.46 0.46
! peak number d 14 F1= 7.060 F2= 5.200 null null d= 4.5
assi (( resid 21 and name HD*))
(( resid 19 and name HA))
4.5 1.12 1.12
! peak number d 303 F1= 7.057 F2= 3.214 null null d= 4.0
assi (( resid 21 and name HD*))
(( resid 19 and name HB2))
4.0 1.00 1.00
! peak number d 116 F1= 7.062 F2= 3.543 null null d= 3.6
assi (( resid 21 and name HD*))
(( resid 20 and name HD*))
3.6 0.91 0.91
! peak number d 295 F1= 7.062 F2= 1.224 null null d= 3.8
assi (( resid 21 and name HD*))
(( resid 20 and name HG3))
3.8 0.95 0.95
! peak number d 41 F1= 7.061 F2= 4.747 null null d= 3.5
assi (( resid 21 and name HD*))
(( resid 21 and name HA))
3.5 0.89 0.89
! peak number d 153 F1= 7.062 F2= 3.000 null null d= 3.1
assi (( resid 21 and name HD*))
(( resid 21 and name HB2))
3.1 0.77 0.77
! peak number d 12 F1= 7.055 F2= 6.820 null null d= 2.3
assi (( resid 21 and name HD*))
(( resid 21 and name HE*))
2.3 0.57 0.57
! peak number d 178 F1= 7.062 F2= 2.666 null null d= 2.8
assi (( resid 21 and name HD*))
(( resid 32 and name HB3))
2.8 0.71 0.71
! peak number d 345 F1= 7.073 F2= 1.876 null null d= 5.2
assi (( resid 21 and name HD*))
(( resid 33 and name HB2))
5.2 1.30 1.30
! peak number h 580 F1= 7.055 F2= 3.228 null null d= 4.2
assi (( resid 21 and name HD*))
(( resid 34 and name HB3))
4.2 1.05 1.05
! peak number d 117 F1= 6.813 F2= 3.543 null null d= 3.6
assi (( resid 21 and name HE*))
(( resid 20 and name HD*))
3.6 0.90 0.90
! peak number d 286 F1= 6.812 F2= 1.232 null null d= 3.6
assi (( resid 21 and name HE*))
(( resid 20 and name HG3))
3.6 0.90 0.90
! peak number d 150 F1= 6.820 F2= 3.015 null null d= 4.4
assi (( resid 21 and name HE*))
(( resid 21 and name HB2) or ( resid 19 and name HB3))
4.4 1.10 1.10
! peak number d 179 F1= 6.820 F2= 2.670 null null d= 4.2
assi (( resid 21 and name HE*))
(( resid 32 and name HB3))
4.2 1.06 1.06
! peak number h 242 F1= 7.568 F2= 2.851 null null d= 3.8
assi (( resid 21 and name HN))
(( resid 13 and name HB3))
3.8 0.96 0.96
! peak number h 581 F1= 7.565 F2= 3.223 null null d= 4.8
assi (( resid 21 and name HN))
(( resid 19 and name HB2))
4.8 1.20 1.20
! peak number h 371 F1= 7.569 F2= 3.534 null null d= 4.1
assi (( resid 21 and name HN))
(( resid 20 and name HD*))
4.1 1.02 1.02
! peak number h 225 F1= 7.565 F2= 2.993 null null d= 3.5
assi (( resid 21 and name HN))
(( resid 21 and name HB2))
3.5 0.88 0.88
! peak number h 83 F1= 2.658 F2= 7.569 null null d= 3.5
assi (( resid 21 and name HN))
(( resid 21 and name HB3))
3.5 0.88 0.88
! peak number h 254 F1= 7.568 F2= 2.654 null null d= 3.3
assi (( resid 21 and name HN))
(( resid 31 and name HB3))
3.3 0.82 0.82
! peak number h 330 F1= 7.536 F2= 1.520 null null d= 3.6
assi (( resid 21 and name HN) or ( resid 15 and name HN))
(( resid 20 and name HB2) or ( resid 15 and name HG2))
3.6 0.90 0.90
! peak number d 107 F1= 4.564 F2= 3.815 null null d= 2.0
assi (( resid 22 and name HA1))
(( resid 22 and name HA2))
2.0 0.31 0.31
! peak number d 133 F1= 3.810 F2= 3.285 null null d= 3.0
assi (( resid 22 and name HA2))
(( resid 9 and name HB2))
3.0 0.75 0.75
! peak number d 181 F1= 3.811 F2= 2.673 null null d= 4.0
assi (( resid 22 and name HA2))
(( resid 9 and name HB3))
4.0 1.00 1.00
! peak number h 224 F1= 8.308 F2= 2.995 null null d= 3.8
assi (( resid 22 and name HN))
(( resid 21 and name HB2))
3.8 0.95 0.95
! peak number h 427 F1= 8.305 F2= 7.060 null null d= 4.5
assi (( resid 22 and name HN))
(( resid 21 and name HD*))
4.5 1.12 1.12
! peak number h 145 F1= 8.307 F2= 4.552 null null d= 3.7
assi (( resid 22 and name HN))
(( resid 22 and name HA1))
3.7 0.56 0.56
! peak number h 182 F1= 8.308 F2= 3.808 null null d= 3.2
assi (( resid 22 and name HN))
(( resid 22 and name HA2))
3.2 0.48 0.48
! peak number h 252 F1= 8.308 F2= 2.658 null null d= 3.7
assi (( resid 22 and name HN))
(( resid 9 and name HB3) or ( resid 21 and name HB3))
3.7 0.93 0.93
! peak number d 250 F1= 4.442 F2= 1.810 null null d= 2.7
assi (( resid 23 and name HA))
(( resid 23 and name HB2))
2.7 0.67 0.67
! peak number d 217 F1= 4.452 F2= 2.138 null null d= 3.4
assi (( resid 23 and name HA))
(( resid 24 and name HB3))
3.4 0.85 0.85
! peak number d 169 F1= 4.452 F2= 2.752 null null d= 3.4
assi (( resid 23 and name HA))
(( resid 6 and name HB2))
3.4 0.85 0.85
! peak number d 282 F1= 4.452 F2= 1.438 null null d= 3.3
assi (( resid 23 and name HA) or ( resid 18 and name HA1))
(( resid 23 and name HG*) or ( resid 14 and name HG*))
3.3 0.82 0.82
! peak number h 513 F1= 1.443 F2= 1.823 null null d= 1.9
assi (( resid 23 and name HB2) or ( resid 14 and name HB3))
(( resid 23 and name HG*) or ( resid 14 and name HG*))
1.9 0.47 0.47
! peak number h 146 F1= 8.207 F2= 4.558 null null d= 2.9
assi (( resid 23 and name HN))
(( resid 22 and name HA1))
2.9 0.43 0.43
! peak number h 183 F1= 8.208 F2= 3.808 null null d= 3.0
assi (( resid 23 and name HN))
(( resid 22 and name HA2))
3.0 0.45 0.45
! peak number h 157 F1= 8.207 F2= 4.450 null null d= 3.3
assi (( resid 23 and name HN))
(( resid 23 and name HA))
3.3 0.49 0.49
! peak number h 396 F1= 8.208 F2= 1.818 null null d= 3.8
assi (( resid 23 and name HN))
(( resid 23 and name HB2))
3.8 0.95 0.95
! peak number h 328 F1= 8.206 F2= 1.622 null null d= 2.9
assi (( resid 23 and name HN))
(( resid 23 and name HB3))
2.9 0.72 0.72
! peak number h 558 F1= 8.206 F2= 1.728 null null d= 4.8
assi (( resid 23 and name HN))
(( resid 23 and name HD*))
4.8 1.19 1.19
! peak number h 452 F1= 8.200 F2= 1.449 null null d= 4.3
assi (( resid 23 and name HN))
(( resid 23 and name HG*))
4.3 1.07 1.07
! peak number d 185 F1= 4.968 F2= 2.766 null null d= 2.9
assi (( resid 24 and name HA))
(( resid 24 and name HB2))
2.9 0.72 0.72
! peak number d 215 F1= 4.962 F2= 2.153 null null d= 2.7
assi (( resid 24 and name HA))
(( resid 24 and name HB3))
2.7 0.66 0.66
! peak number d 167 F1= 2.146 F2= 2.776 null null d= 1.9
assi (( resid 24 and name HB2))
(( resid 24 and name HB3))
1.9 0.48 0.48
! peak number h 156 F1= 8.677 F2= 4.455 null null d= 2.5
assi (( resid 24 and name HN))
(( resid 23 and name HA))
2.5 0.38 0.38
! peak number h 313 F1= 8.682 F2= 1.811 null null d= 3.2
assi (( resid 24 and name HN))
(( resid 23 and name HB2))
3.2 0.81 0.81
! peak number h 556 F1= 1.614 F2= 8.691 null null d= 5.0
assi (( resid 24 and name HN))
(( resid 23 and name HB3))
5.0 1.25 1.25
! peak number h 111 F1= 8.674 F2= 4.956 null null d= 3.2
assi (( resid 24 and name HN))
(( resid 24 and name HA))
3.2 0.48 0.48
! peak number h 27 F1= 2.133 F2= 8.685 null null d= 3.2
assi (( resid 24 and name HN))
(( resid 24 and name HB3))
3.2 0.79 0.79
! peak number h 441 F1= 8.688 F2= 4.005 null null d= 4.1
assi (( resid 24 and name HN))
(( resid 6 and name HA))
4.1 0.61 0.61
! peak number h 243 F1= 8.679 F2= 2.760 null null d= 3.0
assi (( resid 24 and name HN))
(( resid 6 and name HB2))
3.0 0.75 0.75
! peak number d 227 F1= 4.747 F2= 2.059 null null d= 2.6
assi (( resid 25 and name HA))
(( resid 25 and name HB2))
2.6 0.65 0.65
! peak number d 245 F1= 4.750 F2= 1.834 null null d= 2.9
assi (( resid 25 and name HA))
(( resid 25 and name HB3))
2.9 0.71 0.71
! peak number d 199 F1= 4.753 F2= 2.426 null null d= 3.6
assi (( resid 25 and name HA))
(( resid 25 and name HG*))
3.6 0.90 0.90
! peak number d 253 F1= 2.057 F2= 1.852 null null d= 1.8
assi (( resid 25 and name HB2))
(( resid 25 and name HB3))
1.8 0.45 0.45
! peak number d 268 F1= 2.420 F2= 1.631 null null d= 3.2
assi (( resid 25 and name HG*))
(( resid 23 and name HB3))
3.2 0.80 0.80
! peak number d 198 F1= 2.049 F2= 2.419 null null d= 2.4
assi (( resid 25 and name HG*))
(( resid 25 and name HB2))
2.4 0.61 0.61
! peak number d 195 F1= 1.847 F2= 2.428 null null d= 2.7
assi (( resid 25 and name HG*))
(( resid 25 and name HB3))
2.7 0.67 0.67
! peak number h 495 F1= 8.712 F2= 4.962 null null d= 2.4
assi (( resid 25 and name HN))
(( resid 24 and name HA))
2.4 0.36 0.36
! peak number h 392 F1= 8.722 F2= 2.035 null null d= 3.7
assi (( resid 25 and name HN))
(( resid 25 and name HB2))
3.7 0.93 0.93
! peak number h 24 F1= 1.846 F2= 8.722 null null d= 3.2
assi (( resid 25 and name HN))
(( resid 25 and name HB3))
3.2 0.80 0.80
! peak number h 393 F1= 8.721 F2= 2.418 null null d= 4.4
assi (( resid 25 and name HN))
(( resid 25 and name HG*))
4.4 1.11 1.11
! peak number h 307 F1= 8.725 F2= 1.811 null null d= 3.2
assi (( resid 25 and name HN))
(( resid 28 and name HB2))
3.2 0.80 0.80
! peak number h 26 F1= 7.739 F2= 8.715 null null d= 3.4
assi (( resid 25 and name HN))
(( resid 28 and name HN))
3.4 0.51 0.51
! peak number d 151 F1= 4.314 F2= 3.023 null null d= 2.8
assi (( resid 26 and name HA))
(( resid 26 and name HB2))
2.8 0.70 0.70
! peak number d 265 F1= 4.315 F2= 1.636 null null d= 3.4
assi (( resid 26 and name HA))
(( resid 27 and name HG*))
3.4 0.85 0.85
! peak number h 362 F1= 3.018 F2= 2.688 null null d= 1.8
assi (( resid 26 and name HB2) or ( resid 21 and name HB2))
(( resid 26 and name HB3) or ( resid 21 and name HB3))
1.8 0.45 0.45
! peak number h 77 F1= 7.187 F2= 7.611 null null d= 1.8
assi (( resid 26 and name HD22))
(( resid 26 and name HD21))
1.8 0.45 0.45
! peak number h 494 F1= 3.306 F2= 7.615 null null d= 4.1
assi (( resid 26 and name HD22))
(( resid 27 and name HD*))
4.1 1.02 1.02
! peak number h 134 F1= 9.419 F2= 4.739 null null d= 2.1
assi (( resid 26 and name HN))
(( resid 25 and name HA))
2.1 0.32 0.32
! peak number h 431 F1= 9.426 F2= 2.037 null null d= 4.8
assi (( resid 26 and name HN))
(( resid 25 and name HB2))
4.8 1.20 1.20
! peak number h 159 F1= 9.424 F2= 4.315 null null d= 2.6
assi (( resid 26 and name HN))
(( resid 26 and name HA))
2.6 0.39 0.39
! peak number h 397 F1= 9.425 F2= 2.697 null null d= 4.4
assi (( resid 26 and name HN))
(( resid 26 and name HB3))
4.4 1.10 1.10
! peak number h 10 F1= 8.469 F2= 9.420 null null d= 3.5
assi (( resid 26 and name HN))
(( resid 27 and name HN))
3.5 0.52 0.52
! peak number d 202 F1= 3.979 F2= 2.289 null null d= 2.2
assi (( resid 27 and name HA))
(( resid 27 and name HB2))
2.2 0.56 0.56
! peak number d 213 F1= 3.971 F2= 2.195 null null d= 2.8
assi (( resid 27 and name HA))
(( resid 27 and name HB3))
2.8 0.70 0.70
! peak number d 266 F1= 3.971 F2= 1.634 null null d= 2.7
assi (( resid 27 and name HA))
(( resid 27 and name HG*))
2.7 0.68 0.68
! peak number d 210 F1= 1.495 F2= 2.258 null null d= 2.6
assi (( resid 27 and name HB2))
(( resid 1 and name HB*))
2.6 0.65 0.65
! peak number d 200 F1= 1.630 F2= 2.293 null null d= 2.6
assi (( resid 27 and name HB2))
(( resid 27 and name HG*))
2.6 0.65 0.65
! peak number d 214 F1= 1.629 F2= 2.194 null null d= 2.3
assi (( resid 27 and name HB3))
(( resid 27 and name HG*))
2.3 0.59 0.59
! peak number h 214 F1= 7.115 F2= 3.270 null null d= 4.3
assi (( resid 27 and name HH22))
(( resid 27 and name HD*))
4.3 1.07 1.07
! peak number h 160 F1= 8.466 F2= 4.323 null null d= 3.0
assi (( resid 27 and name HN))
(( resid 26 and name HA))
3.0 0.45 0.45
! peak number h 176 F1= 8.468 F2= 3.971 null null d= 2.5
assi (( resid 27 and name HN))
(( resid 27 and name HA))
2.5 0.38 0.38
! peak number h 432 F1= 8.469 F2= 2.203 null null d= 4.2
assi (( resid 27 and name HN))
(( resid 27 and name HB3))
4.2 1.06 1.06
! peak number h 327 F1= 8.467 F2= 1.628 null null d= 3.1
assi (( resid 27 and name HN))
(( resid 27 and name HG*))
3.1 0.78 0.78
! peak number h 71 F1= 8.470 F2= 7.736 null null d= 3.2
assi (( resid 27 and name HN))
(( resid 28 and name HN))
3.2 0.48 0.48
! peak number d 22 F1= 1.793 F2= 5.051 null null d= 2.8
assi (( resid 28 and name HA))
(( resid 28 and name HB2))
2.8 0.71 0.71
! peak number d 23 F1= 1.709 F2= 5.041 null null d= 3.4
assi (( resid 28 and name HA))
(( resid 28 and name HB3))
3.4 0.85 0.85
! peak number d 19 F1= 1.421 F2= 5.047 null null d= 3.2
assi (( resid 28 and name HA))
(( resid 28 and name HG*))
3.2 0.81 0.81
! peak number h 549 F1= 7.736 F2= 3.969 null null d= 3.0
assi (( resid 28 and name HN))
(( resid 27 and name HA))
3.0 0.45 0.45
! peak number h 560 F1= 7.730 F2= 2.193 null null d= 4.3
assi (( resid 28 and name HN))
(( resid 27 and name HB3))
4.3 1.07 1.07
! peak number h 398 F1= 7.738 F2= 1.780 null null d= 3.6
assi (( resid 28 and name HN))
(( resid 28 and name HB2))
3.6 0.90 0.90
! peak number h 320 F1= 7.739 F2= 1.688 null null d= 3.4
assi (( resid 28 and name HN))
(( resid 28 and name HB3))
3.4 0.85 0.85
! peak number h 340 F1= 7.741 F2= 1.433 null null d= 4.0
assi (( resid 28 and name HN))
(( resid 28 and name HG*))
4.0 1.00 1.00
! peak number d 193 F1= 4.979 F2= 2.497 null null d= 2.7
assi (( resid 29 and name HA))
(( resid 29 and name HB3))
2.7 0.66 0.66
! peak number d 259 F1= 4.982 F2= 1.720 null null d= 4.1
assi (( resid 29 and name HA) or ( resid 24 and name HA))
(( resid 30 and name HB3) or ( resid 28 and name HB3))
4.1 1.02 1.02
! peak number d 159 F1= 1.492 F2= 2.909 null null d= 3.4
assi (( resid 29 and name HB2))
(( resid 1 and name HB*))
3.4 0.84 0.84
! peak number d 158 F1= 2.502 F2= 2.910 null null d= 1.9
assi (( resid 29 and name HB2))
(( resid 29 and name HB3))
1.9 0.46 0.46
! peak number d 337 F1= 2.496 F2= 1.487 null null d= 3.7
assi (( resid 29 and name HB3))
(( resid 1 and name HB*))
3.7 0.93 0.93
! peak number h 450 F1= 8.249 F2= 1.491 null null d= 4.4
assi (( resid 29 and name HN))
(( resid 1 and name HB*))
4.4 1.10 1.10
! peak number h 108 F1= 8.255 F2= 5.049 null null d= 2.5
assi (( resid 29 and name HN))
(( resid 28 and name HA))
2.5 0.38 0.38
! peak number h 314 F1= 8.253 F2= 1.791 null null d= 3.9
assi (( resid 29 and name HN))
(( resid 28 and name HB2))
3.9 1.00 1.00
! peak number h 119 F1= 8.250 F2= 4.967 null null d= 2.9
assi (( resid 29 and name HN))
(( resid 29 and name HA))
2.9 0.43 0.43
! peak number h 233 F1= 8.254 F2= 2.906 null null d= 2.8
assi (( resid 29 and name HN))
(( resid 29 and name HB2))
2.8 0.69 0.69
! peak number h 265 F1= 8.252 F2= 2.495 null null d= 4.2
assi (( resid 29 and name HN))
(( resid 29 and name HB3))
4.2 1.04 1.04
! peak number d 141 F1= 4.755 F2= 3.233 null null d= 2.7
assi (( resid 3 and name HA))
(( resid 3 and name HB2))
2.7 0.68 0.68
! peak number d 314 F1= 4.744 F2= 3.054 null null d= 2.5
assi (( resid 3 and name HA))
(( resid 3 and name HB3))
2.5 0.62 0.62
! peak number d 263 F1= 4.754 F2= 1.678 null null d= 4.5
assi (( resid 3 and name HA))
(( resid 4 and name HG*))
4.5 1.12 1.12
! peak number d 149 F1= 4.745 F2= 2.972 null null d= 2.3
assi (( resid 3 and name HA))
(( resid 8 and name HB*))
2.3 0.57 0.57
! peak number d 341 F1= 3.224 F2= 3.036 null null d= 1.8
assi (( resid 3 and name HB2) or ( resid 19 and name HB2))
(( resid 3 and name HB3) or ( resid 19 and name HB3))
1.8 0.45 0.45
! peak number h 105 F1= 7.876 F2= 5.079 null null d= 2.7
assi (( resid 3 and name HN))
(( resid 2 and name HA))
2.7 0.41 0.41
! peak number h 172 F1= 7.846 F2= 3.990 null null d= 2.9
assi (( resid 3 and name HN))
(( resid 27 and name HA))
2.9 0.43 0.43
! peak number h 271 F1= 7.871 F2= 2.275 null null d= 3.6
assi (( resid 3 and name HN))
(( resid 27 and name HB2))
3.6 0.90 0.90
! peak number h 440 F1= 7.879 F2= 3.241 null null d= 4.9
assi (( resid 3 and name HN))
(( resid 3 and name HB2))
4.9 1.23 1.23
! peak number h 223 F1= 7.877 F2= 3.033 null null d= 3.6
assi (( resid 3 and name HN))
(( resid 3 and name HB3))
3.6 0.90 0.90
! peak number h 516 F1= 1.696 F2= 1.423 null null d= 1.8
assi (( resid 30 and name HD*) or ( resid 28 and name HD*) or ( resid 28 and name HB3))
(( resid 30 and name HG*) or ( resid 28 and name HG*))
1.8 0.45 0.45
! peak number h 3 F1= 8.204 F2= 9.456 null null d= 3.5
assi (( resid 30 and name HN))
(( resid 23 and name HN))
3.5 0.53 0.53
! peak number h 110 F1= 9.456 F2= 4.968 null null d= 2.4
assi (( resid 30 and name HN))
(( resid 29 and name HA))
2.4 0.36 0.36
! peak number h 445 F1= 9.461 F2= 2.912 null null d= 4.8
assi (( resid 30 and name HN))
(( resid 29 and name HB2))
4.8 1.20 1.20
! peak number h 264 F1= 9.458 F2= 2.490 null null d= 3.7
assi (( resid 30 and name HN))
(( resid 29 and name HB3))
3.7 0.93 0.93
! peak number h 306 F1= 9.458 F2= 1.841 null null d= 3.2
assi (( resid 30 and name HN))
(( resid 30 and name HB2))
3.2 0.80 0.80
! peak number h 319 F1= 9.457 F2= 1.714 null null d= 4.1
assi (( resid 30 and name HN))
(( resid 30 and name HB3))
4.1 1.60 1.60
! peak number d 28 F1= 4.563 F2= 4.963 null null d= 2.9
assi (( resid 31 and name HA))
(( resid 22 and name HA1))
2.9 0.43 0.43
! peak number d 108 F1= 4.958 F2= 3.808 null null d= 2.8
assi (( resid 31 and name HA))
(( resid 22 and name HA2))
2.8 0.43 0.43
! peak number d 128 F1= 4.958 F2= 3.360 null null d= 2.6
assi (( resid 31 and name HA))
(( resid 31 and name HB2))
2.6 0.65 0.65
! peak number d 131 F1= 1.133 F2= 3.350 null null d= 3.0
assi (( resid 31 and name HB2))
(( resid 17 and name HG2*))
3.0 0.76 0.76
! peak number d 129 F1= 2.619 F2= 3.368 null null d= 1.9
assi (( resid 31 and name HB2))
(( resid 31 and name HB3))
1.9 0.48 0.48
! peak number d 207 F1= 2.622 F2= 2.250 null null d= 3.1
assi (( resid 31 and name HB3))
(( resid 16 and name HG*))
3.1 0.78 0.78
! peak number d 189 F1= 1.133 F2= 2.625 null null d= 3.0
assi (( resid 31 and name HB3))
(( resid 17 and name HG2*))
3.0 0.76 0.76
! peak number h 564 F1= 9.200 F2= 2.485 null null d= 4.5
assi (( resid 31 and name HN))
(( resid 29 and name HB3))
4.5 1.12 1.12
! peak number h 447 F1= 9.198 F2= 1.740 null null d= 4.3
assi (( resid 31 and name HN))
(( resid 30 and name HB3))
4.3 1.07 1.07
! peak number h 448 F1= 9.203 F2= 1.430 null null d= 4.2
assi (( resid 31 and name HN))
(( resid 30 and name HG*))
4.2 1.05 1.05
! peak number h 116 F1= 9.196 F2= 4.967 null null d= 3.3
assi (( resid 31 and name HN))
(( resid 31 and name HA))
3.3 0.49 0.49
! peak number h 11 F1= 3.365 F2= 9.189 null null d= 5.2
assi (( resid 31 and name HN))
(( resid 31 and name HB2))
5.2 2.59 2.59
! peak number h 12 F1= 2.625 F2= 9.193 null null d= 2.8
assi (( resid 31 and name HN))
(( resid 31 and name HB3))
2.8 0.70 0.70
! peak number d 162 F1= 4.801 F2= 2.868 null null d= 2.8
assi (( resid 32 and name HA))
(( resid 32 and name HB2))
2.8 0.70 0.70
! peak number d 174 F1= 4.802 F2= 2.670 null null d= 2.9
assi (( resid 32 and name HA))
(( resid 32 and name HB3))
2.9 0.72 0.72
! peak number d 252 F1= 4.813 F2= 1.764 null null d= 3.9
assi (( resid 32 and name HA))
(( resid 33 and name HB3))
3.9 0.97 0.97
! peak number d 166 F1= 2.659 F2= 2.866 null null d= 1.8
assi (( resid 32 and name HB2))
(( resid 32 and name HB3))
1.8 0.45 0.45
! peak number h 86 F1= 6.885 F2= 7.540 null null d= 1.8
assi (( resid 32 and name HD21))
(( resid 32 and name HD22))
1.8 0.45 0.45
! peak number h 565 F1= 8.758 F2= 1.137 null null d= 5.0
assi (( resid 32 and name HN))
(( resid 17 and name HG2*))
5.0 1.25 1.25
! peak number h 19 F1= 2.656 F2= 8.737 null null d= 2.7
assi (( resid 32 and name HN))
(( resid 21 and name HB3))
2.7 0.68 0.68
! peak number h 117 F1= 8.757 F2= 4.956 null null d= 2.4
assi (( resid 32 and name HN))
(( resid 31 and name HA))
2.4 0.36 0.36
! peak number h 198 F1= 8.756 F2= 3.350 null null d= 3.2
assi (( resid 32 and name HN))
(( resid 31 and name HB2))
3.2 0.80 0.80
! peak number h 18 F1= 2.870 F2= 8.748 null null d= 4.3
assi (( resid 32 and name HN))
(( resid 32 and name HB2))
4.3 1.07 1.07
! peak number d 313 F1= 4.482 F2= 3.028 null null d= 3.2
assi (( resid 33 and name HA))
(( resid 19 and name HB3))
3.2 0.90 0.90
! peak number d 239 F1= 4.469 F2= 1.899 null null d= 2.8
assi (( resid 33 and name HA))
(( resid 33 and name HB2))
2.8 0.70 0.70
! peak number d 318 F1= 1.759 F2= 4.474 null null d= 2.9
assi (( resid 33 and name HA))
(( resid 33 and name HB3))
2.9 0.72 0.72
! peak number d 264 F1= 4.481 F2= 1.637 null null d= 2.8
assi (( resid 33 and name HA) or ( resid 23 and name HA))
(( resid 33 and name HG*) or ( resid 23 and name HB3))
2.8 0.70 0.70
! peak number h 365 F1= 1.907 F2= 1.652 null null d= 2.7
assi (( resid 33 and name HB2))
(( resid 33 and name HG*))
2.7 0.68 0.68
! peak number d 139 F1= 1.759 F2= 3.234 null null d= 3.2
assi (( resid 33 and name HD*))
(( resid 33 and name HB3))
3.2 0.80 0.80
! peak number d 144 F1= 1.651 F2= 3.239 null null d= 2.5
assi (( resid 33 and name HD*))
(( resid 33 and name HG*))
2.5 0.62 0.62
! peak number h 437 F1= 7.239 F2= 2.998 null null d= 4.0
assi (( resid 33 and name HE))
(( resid 21 and name HB2))
4.0 1.00 1.00
! peak number h 255 F1= 7.240 F2= 2.659 null null d= 3.3
assi (( resid 33 and name HE))
(( resid 21 and name HB3))
3.3 0.84 0.84
! peak number h 97 F1= 7.242 F2= 6.685 null null d= 1.8
assi (( resid 33 and name HE))
(( resid 33 and name HH2*))
1.8 0.45 0.45
! peak number h 125 F1= 8.449 F2= 4.801 null null d= 2.7
assi (( resid 33 and name HN))
(( resid 32 and name HA))
2.7 0.41 0.41
! peak number h 235 F1= 8.447 F2= 2.872 null null d= 3.4
assi (( resid 33 and name HN))
(( resid 32 and name HB2))
3.4 0.84 0.84
! peak number h 251 F1= 8.450 F2= 2.662 null null d= 4.3
assi (( resid 33 and name HN))
(( resid 32 and name HB3))
4.3 1.07 1.07
! peak number h 152 F1= 8.450 F2= 4.471 null null d= 3.3
assi (( resid 33 and name HN))
(( resid 33 and name HA))
3.3 0.49 0.49
! peak number h 301 F1= 8.443 F2= 1.886 null null d= 3.8
assi (( resid 33 and name HN))
(( resid 33 and name HB2))
3.8 0.96 0.96
! peak number h 315 F1= 8.448 F2= 1.759 null null d= 3.0
assi (( resid 33 and name HN))
(( resid 33 and name HB3))
3.0 0.75 0.75
! peak number d 136 F1= 4.814 F2= 3.305 null null d= 2.6
assi (( resid 34 and name HA))
(( resid 34 and name HB2))
2.6 0.65 0.65
! peak number d 39 F1= 3.255 F2= 4.820 null null d= 3.1
assi (( resid 34 and name HA))
(( resid 34 and name HB3))
3.1 0.78 0.78
! peak number h 221 F1= 8.613 F2= 3.031 null null d= 3.2
assi (( resid 34 and name HN))
(( resid 19 and name HB3))
3.2 0.79 0.79
! peak number h 151 F1= 8.612 F2= 4.473 null null d= 2.6
assi (( resid 34 and name HN))
(( resid 33 and name HA))
2.6 0.39 0.39
! peak number h 300 F1= 8.613 F2= 1.903 null null d= 3.8
assi (( resid 34 and name HN))
(( resid 33 and name HB2))
3.8 0.94 0.94
! peak number h 391 F1= 8.614 F2= 1.768 null null d= 4.4
assi (( resid 34 and name HN))
(( resid 33 and name HB3))
4.4 1.10 1.10
! peak number h 209 F1= 8.613 F2= 3.267 null null d= 3.2
assi (( resid 34 and name HN))
(( resid 34 and name HB3))
3.2 0.80 0.80
! peak number d 235 F1= 4.495 F2= 1.951 null null d= 2.5
assi (( resid 4 and name HA))
(( resid 4 and name HB3))
2.5 0.62 0.62
! peak number d 71 F1= 1.658 F2= 4.481 null null d= 2.8
assi (( resid 4 and name HA) or ( resid 33 and name HA))
(( resid 4 and name HG*) or ( resid 33 and name HG*))
2.8 0.69 0.69
! peak number h 296 F1= 1.662 F2= 1.901 null null d= 1.8
assi (( resid 4 and name HB2) or ( resid 33 and name HB2))
(( resid 4 and name HG*) or ( resid 33 and name HG*))
1.8 0.45 0.45
! peak number d 262 F1= 1.946 F2= 1.691 null null d= 1.8
assi (( resid 4 and name HB3))
(( resid 4 and name HG*))
1.8 0.45 0.45
! peak number d 238 F1= 1.232 F2= 1.943 null null d= 2.6
assi (( resid 4 and name HB3))
(( resid 5 and name HG2*))
2.6 0.65 0.65
! peak number d 322 F1= 1.687 F2= 1.940 null null d= 2.0
assi (( resid 4 and name HB3) or ( resid 4 and name HB2))
(( resid 4 and name HG*))
2.0 0.50 0.50
! peak number d 138 F1= 1.920 F2= 3.241 null null d= 3.6
assi (( resid 4 and name HD*))
(( resid 4 and name HB2))
3.6 0.90 0.90
! peak number h 303 F1= 3.240 F2= 1.900 null null d= 4.0
assi (( resid 4 and name HD*) or ( resid 33 and name HD*))
(( resid 4 and name HB2) or ( resid 33 and name HB2))
4.0 1.00 1.00
! peak number h 127 F1= 9.611 F2= 4.752 null null d= 2.6
assi (( resid 4 and name HN))
(( resid 3 and name HA))
2.6 0.39 0.39
! peak number h 216 F1= 9.610 F2= 3.234 null null d= 3.0
assi (( resid 4 and name HN))
(( resid 3 and name HB2))
3.0 0.75 0.75
! peak number h 297 F1= 9.612 F2= 1.924 null null d= 2.9
assi (( resid 4 and name HN))
(( resid 4 and name HB2))
2.9 0.72 0.72
! peak number h 539 F1= 1.675 F2= 9.618 null null d= 2.8
assi (( resid 4 and name HN))
(( resid 4 and name HG*))
2.8 0.70 0.70
! peak number h 2 F1= 8.165 F2= 9.613 null null d= 2.5
assi (( resid 4 and name HN))
(( resid 5 and name HN))
2.5 0.37 0.37
! peak number h 228 F1= 9.609 F2= 2.992 null null d= 3.0
assi (( resid 4 and name HN))
(( resid 8 and name HB*))
3.0 0.75 0.75
! peak number d 20 F1= 4.608 F2= 4.987 null null d= 2.8
assi (( resid 5 and name HA))
(( resid 5 and name HB))
2.8 0.80 0.80
! peak number d 27 F1= 1.233 F2= 4.992 null null d= 2.9
assi (( resid 5 and name HA))
(( resid 5 and name HG2*))
2.9 0.73 0.73
! peak number d 21 F1= 3.991 F2= 4.986 null null d= 2.2
assi (( resid 5 and name HA))
(( resid 6 and name HD*))
2.2 0.56 0.56
! peak number d 350 F1= 4.988 F2= 2.309 null null d= 4.6
assi (( resid 5 and name HA))
(( resid 6 and name HG*))
4.6 1.15 1.15
! peak number d 59 F1= 1.234 F2= 4.616 null null d= 3.0
assi (( resid 5 and name HB))
(( resid 5 and name HG2*))
3.0 0.76 0.76
! peak number d 100 F1= 4.609 F2= 3.994 null null d= 2.5
assi (( resid 5 and name HB))
(( resid 6 and name HD*))
2.5 0.61 0.61
! peak number h 217 F1= 8.163 F2= 3.231 null null d= 3.4
assi (( resid 5 and name HN))
(( resid 3 and name HB2))
3.4 0.85 0.85
! peak number h 298 F1= 8.164 F2= 1.915 null null d= 3.2
assi (( resid 5 and name HN))
(( resid 4 and name HB2))
3.2 0.80 0.80
! peak number h 344 F1= 8.159 F2= 1.230 null null d= 3.9
assi (( resid 5 and name HN))
(( resid 5 and name HG2*))
3.9 0.97 0.97
! peak number h 229 F1= 8.164 F2= 2.977 null null d= 3.2
assi (( resid 5 and name HN))
(( resid 8 and name HB*))
3.2 0.80 0.80
! peak number d 170 F1= 4.011 F2= 2.742 null null d= 2.8
assi (( resid 6 and name HA))
(( resid 6 and name HB2))
2.8 0.75 0.75
! peak number d 228 F1= 4.002 F2= 2.050 null null d= 2.8
assi (( resid 6 and name HA))
(( resid 6 and name HB3))
2.8 0.69 0.69
! peak number d 173 F1= 2.044 F2= 2.745 null null d= 2.2
assi (( resid 6 and name HB2))
(( resid 6 and name HB3))
2.2 0.56 0.56
! peak number d 172 F1= 2.305 F2= 2.743 null null d= 3.0
assi (( resid 6 and name HB2))
(( resid 6 and name HG*))
3.0 0.76 0.76
! peak number d 218 F1= 4.013 F2= 2.151 null null d= 2.5
assi (( resid 6 and name HD*))
(( resid 24 and name HB3))
2.5 0.63 0.63
! peak number d 289 F1= 3.993 F2= 1.239 null null d= 4.0
assi (( resid 6 and name HD*))
(( resid 5 and name HG2*))
4.0 1.01 1.01
! peak number h 175 F1= 2.297 F2= 3.994 null null d= 2.5
assi (( resid 6 and name HD*))
(( resid 6 and name HG*))
2.5 0.62 0.62
! peak number d 339 F1= 2.295 F2= 2.131 null null d= 1.8
assi (( resid 6 and name HG*))
(( resid 24 and name HB3))
1.8 0.45 0.45
! peak number h 358 F1= 2.035 F2= 2.291 null null d= 2.0
assi (( resid 6 and name HG*))
(( resid 6 and name HB3))
2.0 0.50 0.50
! peak number d 246 F1= 4.126 F2= 1.830 null null d= 2.8
assi (( resid 7 and name HA))
(( resid 7 and name HB*))
2.8 0.70 0.70
! peak number d 283 F1= 1.820 F2= 1.520 null null d= 1.9
assi (( resid 7 and name HB*))
(( resid 7 and name HG*))
1.9 0.48 0.48
! peak number h 515 F1= 1.703 F2= 1.534 null null d= 1.8
assi (( resid 7 and name HD*))
(( resid 7 and name HG*))
1.8 0.45 0.45
! peak number h 227 F1= 1.720 F2= 3.001 null null d= 2.2
assi (( resid 7 and name HE*) or ( resid 30 and name HE*) or ( resid 28 and name HE*))
(( resid 7 and name HD*) or ( resid 30 and name HD*) or ( resid 28 and name HD*))
2.2 0.55 0.55
! peak number h 459 F1= 1.237 F2= 7.852 null null d= 4.8
assi (( resid 7 and name HN))
(( resid 5 and name HG2*))
4.8 1.20 1.20
! peak number h 290 F1= 7.845 F2= 2.043 null null d= 3.9
assi (( resid 7 and name HN))
(( resid 6 and name HB3))
3.9 0.96 0.96
! peak number h 163 F1= 7.847 F2= 4.134 null null d= 3.3
assi (( resid 7 and name HN))
(( resid 7 and name HA))
3.3 0.49 0.49
! peak number h 312 F1= 7.848 F2= 1.819 null null d= 3.2
assi (( resid 7 and name HN))
(( resid 7 and name HB*))
3.2 0.81 0.81
! peak number h 213 F1= 7.607 F2= 3.254 null null d= 3.4
assi (( resid 8 and name HN))
(( resid 3 and name HB2))
3.4 0.85 0.85
! peak number h 439 F1= 7.594 F2= 4.011 null null d= 4.4
assi (( resid 8 and name HN))
(( resid 6 and name HA))
4.4 0.66 0.66
! peak number h 438 F1= 7.595 F2= 4.129 null null d= 4.2
assi (( resid 8 and name HN))
(( resid 7 and name HA))
4.2 0.63 0.63
! peak number h 308 F1= 7.598 F2= 1.826 null null d= 3.6
assi (( resid 8 and name HN))
(( resid 7 and name HB*))
3.6 0.91 0.91
! peak number h 576 F1= 7.591 F2= 1.520 null null d= 4.9
assi (( resid 8 and name HN))
(( resid 7 and name HG*))
4.9 1.23 1.23
! peak number h 231 F1= 7.604 F2= 2.967 null null d= 2.8
assi (( resid 8 and name HN))
(( resid 8 and name HB*))
2.8 0.69 0.69
! peak number h 81 F1= 3.258 F2= 7.600 null null d= 4.0
assi (( resid 8 and name HN))
(( resid 9 and name HB2))
4.0 1.00 1.00
! peak number d 254 F1= 4.721 F2= 1.747 null null d= 3.4
assi (( resid 9 and name HA))
(( resid 12 and name HB3))
3.4 0.85 0.85
! peak number d 109 F1= 4.709 F2= 3.652 null null d= 3.1
assi (( resid 9 and name HA))
(( resid 12 and name HD*))
3.1 1.30 1.30
! peak number d 204 F1= 4.709 F2= 2.255 null null d= 2.9
assi (( resid 9 and name HA))
(( resid 12 and name HG2))
2.9 0.72 0.72
! peak number d 132 F1= 4.709 F2= 3.281 null null d= 2.5
assi (( resid 9 and name HA))
(( resid 9 and name HB2))
2.5 0.62 0.62
! peak number d 190 F1= 3.283 F2= 2.503 null null d= 2.9
assi (( resid 9 and name HB2))
(( resid 29 and name HB3))
2.9 0.73 0.73
! peak number d 134 F1= 2.664 F2= 3.273 null null d= 1.9
assi (( resid 9 and name HB2))
(( resid 9 and name HB3))
1.9 0.49 0.49
! peak number h 67 F1= 7.235 F2= 7.733 null null d= 2.8
assi (( resid 9 and name HN))
(( resid 10 and name HN))
2.8 0.41 0.41
! peak number h 230 F1= 7.737 F2= 2.977 null null d= 3.4
assi (( resid 9 and name HN))
(( resid 8 and name HB*))
3.4 0.85 0.85
! peak number h 499 F1= 7.599 F2= 7.745 null null d= 2.4
assi (( resid 9 and name HN))
(( resid 8 and name HN))
2.4 0.36 0.36
! peak number h 210 F1= 7.737 F2= 3.265 null null d= 3.8
assi (( resid 9 and name HN))
(( resid 9 and name HB2))
3.8 0.95 0.95
! peak number h 253 F1= 7.738 F2= 2.660 null null d= 2.9
assi (( resid 9 and name HN))
(( resid 9 and name HB3))
2.9 0.72 0.72
Contact the webmaster for help, if required. Thursday, May 9, 2024 11:49:48 PM GMT (wattos1)