NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
25776 |
2kbz   |
16057 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! peak number c 1089 F1= 3.871 F2= 2.123 null null d= 4.5
assi (( resid 100 and name HA
))
(( resid 100 and name HB1
))
3.42 2.57 2.57
! peak number c 1091 F1= 1.951 F2= 3.853 null null d= 4.7
assi (( resid 100 and name HA
))
(( resid 100 and name HB2
))
3.57 2.70 2.70
! peak number c 1090 F1= 3.869 F2= 2.569 null null d= 5.0
assi (( resid 100 and name HA
))
(( resid 100 and name HG*
))
3.80 3.06 3.06
! peak number c 1098 F1= 8.161 F2= 3.856 null null d= 4.8
assi (( resid 100 and name HA
))
(( resid 100 and name HN
))
3.65 1.20 1.20
! peak number h 1117 F1= 7.688 F2= 3.808 null null d= 6.1
assi (( resid 100 and name HA
))
(( resid 101 and name HN
))
4.70 1.52 1.52
! peak number c 168 F1= 6.707 F2= 3.855 null null d= 5.6
assi (( resid 100 and name HA
))
(( resid 102 and name HD21
))
4.25 3.92 3.92
! peak number c 166 F1= 7.950 F2= 3.857 null null d= 4.6
assi (( resid 100 and name HA
))
(( resid 99 and name HN) or ( resid 108 and name HN
))
3.49 2.64 2.64
! peak number c 421 F1= 2.140 F2= 1.584 null null d= 3.6
assi (( resid 100 and name HB1
))
(( resid 100 and name HE*
))
2.73 1.62 1.62
! peak number c 1093 F1= 2.084 F2= 2.569 null null d= 3.3
assi (( resid 100 and name HB1
))
(( resid 100 and name HG*
))
2.50 1.36 1.36
! peak number c 1100 F1= 8.184 F2= 2.124 null null d= 4.5
assi (( resid 100 and name HB1
))
(( resid 100 and name HN
))
3.42 2.57 2.57
! peak number h 1158 F1= 7.686 F2= 2.077 null null d= 4.8
assi (( resid 100 and name HB1
))
(( resid 101 and name HN
))
3.69 2.94 2.94
! peak number h 1241 F1= 6.633 F2= 2.078 null null d= 5.0
assi (( resid 100 and name HB1
))
(( resid 55 and name HE*
))
3.85 3.12 3.12
! peak number c 415 F1= 1.968 F2= 1.585 null null d= 3.7
assi (( resid 100 and name HB2
))
(( resid 100 and name HE*
))
2.81 1.71 1.71
! peak number c 1092 F1= 1.961 F2= 2.574 null null d= 4.3
assi (( resid 100 and name HB2
))
(( resid 100 and name HG*
))
3.27 2.31 2.31
! peak number c 1099 F1= 8.170 F2= 1.951 null null d= 4.9
assi (( resid 100 and name HB2
))
(( resid 100 and name HN
))
3.72 3.00 3.00
! peak number h 1183 F1= 7.696 F2= 1.905 null null d= 5.8
assi (( resid 100 and name HB2
))
(( resid 101 and name HN
))
4.46 4.21 4.21
! peak number h 349 F1= 1.897 F2= 1.393 null null d= 4.6
assi (( resid 100 and name HB2
))
(( resid 59 and name HB1
))
3.54 2.64 2.64
! peak number h 352 F1= 1.899 F2= 1.504 null null d= 4.6
assi (( resid 100 and name HB2
))
(( resid 59 and name HB2
))
3.54 2.64 2.64
! peak number c 1097 F1= 2.534 F2= 1.584 null null d= 4.3
assi (( resid 100 and name HE*
))
(( resid 100 and name HG*
))
3.27 2.31 2.31
! peak number c 1101 F1= 8.188 F2= 1.583 null null d= 5.5
assi (( resid 100 and name HE*
))
(( resid 100 and name HN
))
4.18 3.74 3.74
! peak number h 1163 F1= 7.682 F2= 1.525 null null d= 5.0
assi (( resid 100 and name HE*
))
(( resid 101 and name HN
))
3.85 3.12 3.12
! peak number c 426 F1= 3.497 F2= 1.584 null null d= 4.5
assi (( resid 100 and name HE*
))
(( resid 52 and name HB1
))
3.42 2.53 2.53
! peak number h 1205 F1= 6.828 F2= 1.525 null null d= 4.7
assi (( resid 100 and name HE*
))
(( resid 52 and name HD2
))
3.62 2.70 2.70
! peak number c 427 F1= 3.068 F2= 1.584 null null d= 4.7
assi (( resid 100 and name HE*
))
(( resid 55 and name HB2) or ( resid 52 and name HB2
))
3.57 2.76 2.76
! peak number c 423 F1= 7.090 F2= 1.584 null null d= 4.9
assi (( resid 100 and name HE*
))
(( resid 55 and name HD*
))
3.72 3.00 3.00
! peak number c 424 F1= 6.710 F2= 1.584 null null d= 4.8
assi (( resid 100 and name HE*
))
(( resid 55 and name HE*
))
3.65 2.92 2.92
! peak number c 416 F1= 0.797 F2= 1.584 null null d= 3.2
assi (( resid 100 and name HE*
))
(( resid 56 and name HD2*) or ( resid 47 and name HD1*
))
2.43 1.28 1.28
! peak number c 425 F1= 3.996 F2= 1.584 null null d= 4.1
assi (( resid 100 and name HE*
))
(( resid 97 and name HA
))
3.11 2.10 2.10
! peak number c 1102 F1= 8.164 F2= 2.571 null null d= 4.8
assi (( resid 100 and name HG*
))
(( resid 100 and name HN
))
3.65 2.84 2.84
! peak number h 993 F1= 6.632 F2= 2.496 null null d= 5.3
assi (( resid 100 and name HG*
))
(( resid 55 and name HE*
))
4.08 3.51 3.51
! peak number h 714 F1= 7.688 F2= 8.147 null null d= 4.8
assi (( resid 100 and name HN
))
(( resid 101 and name HN
))
3.69 1.20 1.20
! peak number h 1403 F1= 6.630 F2= 8.147 null null d= 6.0
assi (( resid 100 and name HN
))
(( resid 55 and name HE*
))
4.62 4.50 4.50
! peak number n 534 F1= 3.867 F2= 8.176 null null d= 4.0
assi (( resid 100 and name HN
))
(( resid 99 and name HA
))
3.35 1.00 1.00
! peak number h 712 F1= 7.858 F2= 8.145 null null d= 4.8
assi (( resid 100 and name HN
))
(( resid 99 and name HN
))
3.69 1.20 1.20
! peak number c 1103 F1= 1.177 F2= 4.187 null null d= 3.9
assi (( resid 101 and name HA
))
(( resid 101 and name HG2*
))
2.96 1.90 1.90
! peak number h 1442 F1= 7.690 F2= 4.133 null null d= 4.9
assi (( resid 101 and name HA
))
(( resid 101 and name HN
))
3.77 1.24 1.24
! peak number h 1089 F1= 6.968 F2= 4.121 null null d= 5.8
assi (( resid 101 and name HA
))
(( resid 102 and name HD22
))
4.46 4.21 4.21
! peak number h 517 F1= 1.135 F2= 4.186 null null d= 4.0
assi (( resid 101 and name HB
))
(( resid 101 and name HG2*
))
3.08 2.00 2.00
! peak number c 1105 F1= 7.813 F2= 4.216 null null d= 4.7
assi (( resid 101 and name HB
))
(( resid 101 and name HN
))
3.57 2.79 2.79
! peak number n 513 F1= 4.181 F2= 7.625 null null d= 3.6
assi (( resid 101 and name HB
))
(( resid 102 and name HN
))
3.02 1.62 1.62
! peak number c 512 F1= 4.217 F2= 1.236 null null d= 3.7
assi (( resid 101 and name HB) or ( resid 101 and name HA
))
(( resid 47 and name HG2*
))
2.81 1.71 1.71
! peak number c 1106 F1= 7.784 F2= 1.179 null null d= 4.6
assi (( resid 101 and name HG2*
))
(( resid 101 and name HN
))
3.49 2.61 2.61
! peak number n 538 F1= 1.180 F2= 7.628 null null d= 4.3
assi (( resid 101 and name HG2*
))
(( resid 102 and name HN
))
3.60 2.31 2.31
! peak number h 516 F1= 1.133 F2= 4.137 null null d= 4.0
assi (( resid 101 and name HG2*
))
(( resid 98 and name HA) or ( resid 101 and name HA
))
3.08 2.00 2.00
! peak number h 1062 F1= 7.682 F2= 1.362 null null d= 5.9
assi (( resid 101 and name HN
))
(( resid 103 and name HB*
))
4.54 4.35 4.35
! peak number n 515 F1= 7.680 F2= 8.057 null null d= 4.2
assi (( resid 101 and name HN
))
(( resid 103 and name HN
))
3.52 1.05 1.05
! peak number h 656 F1= 7.680 F2= 6.825 null null d= 5.9
assi (( resid 101 and name HN
))
(( resid 52 and name HD2
))
4.54 4.35 4.35
! peak number c 1111 F1= 4.609 F2= 2.561 null null d= 4.8
assi (( resid 102 and name HA
))
(( resid 102 and name HB1
))
3.65 2.94 2.94
! peak number c 1110 F1= 4.612 F2= 2.270 null null d= 4.8
assi (( resid 102 and name HA
))
(( resid 102 and name HB2
))
3.65 2.88 2.88
! peak number n 514 F1= 4.557 F2= 7.625 null null d= 3.7
assi (( resid 102 and name HA
))
(( resid 102 and name HN
))
3.10 0.93 0.93
! peak number n 521 F1= 4.557 F2= 8.057 null null d= 3.8
assi (( resid 102 and name HA
))
(( resid 103 and name HN
))
3.18 0.95 0.95
! peak number c 1113 F1= 2.263 F2= 2.554 null null d= 3.8
assi (( resid 102 and name HB1
))
(( resid 102 and name HB2
))
2.88 1.76 1.76
! peak number n 202 F1= 2.530 F2= 6.722 null null d= 4.0
assi (( resid 102 and name HB1
))
(( resid 102 and name HD21
))
3.35 2.00 2.00
! peak number n 229 F1= 2.553 F2= 7.010 null null d= 4.1
assi (( resid 102 and name HB1
))
(( resid 102 and name HD22
))
3.44 2.10 2.10
! peak number n 511 F1= 2.548 F2= 7.625 null null d= 3.8
assi (( resid 102 and name HB1
))
(( resid 102 and name HN
))
3.18 1.80 1.80
! peak number n 524 F1= 2.579 F2= 8.057 null null d= 4.3
assi (( resid 102 and name HB1
))
(( resid 103 and name HN
))
3.60 2.31 2.31
! peak number n 216 F1= 2.259 F2= 6.718 null null d= 4.2
assi (( resid 102 and name HB2
))
(( resid 102 and name HD21
))
3.52 2.21 2.21
! peak number c 1115 F1= 7.006 F2= 2.268 null null d= 5.1
assi (( resid 102 and name HB2
))
(( resid 102 and name HD22
))
3.87 3.23 3.23
! peak number n 525 F1= 2.255 F2= 7.625 null null d= 3.6
assi (( resid 102 and name HB2
))
(( resid 102 and name HN
))
3.02 1.62 1.62
! peak number n 115 F1= 2.244 F2= 8.338 null null d= 4.6
assi (( resid 102 and name HB2
))
(( resid 107 and name HN
))
3.86 2.64 2.64
! peak number h 1443 F1= 6.683 F2= 6.985 null null d= 3.2
assi (( resid 102 and name HD21
))
(( resid 102 and name HD22
))
2.46 1.30 1.30
! peak number n 228 F1= 4.215 F2= 6.716 null null d= 4.6
assi (( resid 102 and name HD21
))
(( resid 103 and name HA
))
3.86 2.64 2.64
! peak number n 204 F1= 1.232 F2= 6.716 null null d= 4.5
assi (( resid 102 and name HD21
))
(( resid 106 and name HG2*
))
3.77 2.53 2.53
! peak number n 510 F1= 6.970 F2= 7.625 null null d= 4.2
assi (( resid 102 and name HD22
))
(( resid 102 and name HN
))
3.52 2.21 2.21
! peak number n 227 F1= 4.221 F2= 7.010 null null d= 4.5
assi (( resid 102 and name HD22
))
(( resid 103 and name HA
))
3.77 2.53 2.53
! peak number h 1331 F1= 6.971 F2= 8.027 null null d= 5.1
assi (( resid 102 and name HD22
))
(( resid 103 and name HN
))
3.93 3.25 3.25
! peak number n 203 F1= 1.220 F2= 7.008 null null d= 4.3
assi (( resid 102 and name HD22
))
(( resid 106 and name HG2*
))
3.60 2.31 2.31
! peak number n 508 F1= 8.075 F2= 7.625 null null d= 4.1
assi (( resid 102 and name HN
))
(( resid 103 and name HN
))
3.44 1.02 1.02
! peak number n 512 F1= 3.897 F2= 7.621 null null d= 4.1
assi (( resid 102 and name HN
))
(( resid 99 and name HA
))
3.44 1.02 1.02
! peak number c 1117 F1= 4.258 F2= 1.406 null null d= 3.8
assi (( resid 103 and name HA
))
(( resid 103 and name HB*
))
2.88 1.77 1.77
! peak number c 1119 F1= 8.095 F2= 4.239 null null d= 4.5
assi (( resid 103 and name HA
))
(( resid 103 and name HN
))
3.42 1.12 1.12
! peak number n 518 F1= 4.202 F2= 8.219 null null d= 3.7
assi (( resid 103 and name HA
))
(( resid 104 and name HN
))
3.10 0.93 0.93
! peak number c 1120 F1= 8.097 F2= 1.404 null null d= 4.6
assi (( resid 103 and name HB*
))
(( resid 103 and name HN
))
3.49 2.67 2.67
! peak number n 105 F1= 1.403 F2= 8.223 null null d= 3.9
assi (( resid 103 and name HB*
))
(( resid 104 and name HN
))
3.27 1.90 1.90
! peak number h 610 F1= 1.345 F2= 4.274 null null d= 4.4
assi (( resid 103 and name HB*
))
(( resid 105 and name HA
))
3.39 2.42 2.42
! peak number c 1121 F1= 8.239 F2= 3.882 null null d= 4.2
assi (( resid 104 and name HA1
))
(( resid 104 and name HN
))
3.19 1.05 1.05
! peak number n 451 F1= 8.248 F2= 7.895 null null d= 3.6
assi (( resid 104 and name HN
))
(( resid 105 and name HN
))
3.02 0.90 0.90
! peak number n 517 F1= 7.933 F2= 8.223 null null d= 3.8
assi (( resid 104 and name HN
))
(( resid 106 and name HN
))
3.18 0.95 0.95
! peak number c 1125 F1= 1.736 F2= 4.394 null null d= 3.6
assi (( resid 105 and name HA
))
(( resid 105 and name HB2
))
2.73 1.62 1.62
! peak number c 1122 F1= 4.375 F2= 0.865 null null d= 3.9
assi (( resid 105 and name HA
))
(( resid 105 and name HD1*
))
2.96 1.90 1.90
! peak number h 1035 F1= 4.285 F2= 0.811 null null d= 5.2
assi (( resid 105 and name HA
))
(( resid 105 and name HD2*
))
4.00 3.45 3.45
! peak number c 1128 F1= 0.857 F2= 4.394 null null d= 4.0
assi (( resid 105 and name HA
))
(( resid 105 and name HD2*) or ( resid 105 and name HD1*
))
3.04 2.00 2.00
! peak number c 1130 F1= 1.613 F2= 4.398 null null d= 3.7
assi (( resid 105 and name HA
))
(( resid 105 and name HG
))
2.81 1.71 1.71
! peak number n 647 F1= 4.284 F2= 7.893 null null d= 3.5
assi (( resid 105 and name HA
))
(( resid 105 and name HN
))
2.93 0.88 0.88
! peak number h 925 F1= 0.809 F2= 1.703 null null d= 4.3
assi (( resid 105 and name HB*
))
(( resid 105 and name HD2*
))
3.31 2.31 2.31
! peak number n 276 F1= 1.675 F2= 7.891 null null d= 3.2
assi (( resid 105 and name HB*
))
(( resid 105 and name HN
))
2.68 1.28 1.28
! peak number n 649 F1= 1.712 F2= 7.952 null null d= 3.6
assi (( resid 105 and name HB*
))
(( resid 106 and name HN
))
3.02 1.62 1.62
! peak number c 1126 F1= 1.695 F2= 0.863 null null d= 3.6
assi (( resid 105 and name HB1
))
(( resid 105 and name HD1*
))
2.73 1.62 1.62
! peak number c 1127 F1= 1.681 F2= 0.895 null null d= 3.5
assi (( resid 105 and name HB1
))
(( resid 105 and name HD2*
))
2.66 1.53 1.53
! peak number c 112 F1= 0.891 F2= 1.662 null null d= 3.9
assi (( resid 105 and name HB1
))
(( resid 105 and name HD2*) or ( resid 105 and name HD1*
))
2.96 1.90 1.90
! peak number c 111 F1= 4.325 F2= 1.659 null null d= 4.3
assi (( resid 105 and name HB1
))
(( resid 106 and name HB) or ( resid 106 and name HA
))
3.27 2.31 2.31
! peak number c 110 F1= 7.914 F2= 1.659 null null d= 4.8
assi (( resid 105 and name HB1
))
(( resid 106 and name HN) or ( resid 105 and name HN
))
3.65 2.88 2.88
! peak number c 114 F1= 0.906 F2= 1.754 null null d= 4.0
assi (( resid 105 and name HB2
))
(( resid 105 and name HD2*
))
3.04 2.00 2.00
! peak number c 107 F1= 1.724 F2= 4.301 null null d= 5.1
assi (( resid 105 and name HB2
))
(( resid 106 and name HB
))
3.87 3.25 3.25
! peak number c 113 F1= 4.325 F2= 1.739 null null d= 4.6
assi (( resid 105 and name HB2
))
(( resid 106 and name HB) or ( resid 106 and name HA
))
3.49 2.64 2.64
! peak number c 1131 F1= 7.857 F2= 0.865 null null d= 4.5
assi (( resid 105 and name HD1*
))
(( resid 105 and name HN
))
3.42 2.53 2.53
! peak number h 554 F1= 0.841 F2= 4.332 null null d= 5.2
assi (( resid 105 and name HD1*
))
(( resid 107 and name HA2
))
4.00 3.38 3.38
! peak number h 417 F1= 0.809 F2= 1.607 null null d= 3.9
assi (( resid 105 and name HD2*
))
(( resid 105 and name HG
))
3.00 1.90 1.90
! peak number h 1055 F1= 7.873 F2= 0.800 null null d= 4.8
assi (( resid 105 and name HD2*
))
(( resid 105 and name HN
))
3.69 2.82 2.82
! peak number c 1123 F1= 4.353 F2= 0.895 null null d= 4.7
assi (( resid 105 and name HD2*
))
(( resid 106 and name HA
))
3.57 2.76 2.76
! peak number n 651 F1= 0.855 F2= 7.949 null null d= 4.4
assi (( resid 105 and name HD2*
))
(( resid 106 and name HN
))
3.69 2.42 2.42
! peak number h 1042 F1= 4.339 F2= 0.812 null null d= 4.3
assi (( resid 105 and name HD2*
))
(( resid 107 and name HA2
))
3.31 2.31 2.31
! peak number c 1129 F1= 0.870 F2= 1.629 null null d= 3.5
assi (( resid 105 and name HD2*) or ( resid 105 and name HD1*
))
(( resid 105 and name HG
))
2.66 1.53 1.53
! peak number n 652 F1= 1.613 F2= 7.894 null null d= 3.1
assi (( resid 105 and name HG
))
(( resid 105 and name HN
))
2.60 1.20 1.20
! peak number n 653 F1= 1.607 F2= 7.951 null null d= 3.7
assi (( resid 105 and name HG
))
(( resid 106 and name HN
))
3.10 1.71 1.71
! peak number c 1132 F1= 7.925 F2= 1.626 null null d= 4.5
assi (( resid 105 and name HG
))
(( resid 106 and name HN) or ( resid 105 and name HN
))
3.42 2.53 2.53
! peak number h 240 F1= 4.337 F2= 1.601 null null d= 4.7
assi (( resid 105 and name HG
))
(( resid 107 and name HA2
))
3.62 2.76 2.76
! peak number n 453 F1= 3.938 F2= 7.895 null null d= 3.7
assi (( resid 105 and name HN
))
(( resid 107 and name HA1
))
3.10 0.93 0.93
! peak number h 763 F1= 7.871 F2= 4.340 null null d= 5.5
assi (( resid 105 and name HN
))
(( resid 107 and name HA2
))
4.23 1.38 1.38
! peak number c 1135 F1= 1.225 F2= 4.362 null null d= 4.0
assi (( resid 106 and name HA
))
(( resid 106 and name HG2*
))
3.04 2.00 2.00
! peak number n 654 F1= 4.344 F2= 7.952 null null d= 3.1
assi (( resid 106 and name HA
))
(( resid 106 and name HN
))
2.60 0.78 0.78
! peak number n 103 F1= 4.333 F2= 8.345 null null d= 3.6
assi (( resid 106 and name HA
))
(( resid 107 and name HN
))
3.02 0.90 0.90
! peak number c 203 F1= 1.714 F2= 4.367 null null d= 4.9
assi (( resid 106 and name HA
))
(( resid 108 and name HB2
))
3.72 3.00 3.00
! peak number c 1134 F1= 1.211 F2= 4.300 null null d= 3.4
assi (( resid 106 and name HB
))
(( resid 106 and name HG2*
))
2.58 1.44 1.44
! peak number c 1136 F1= 7.932 F2= 4.300 null null d= 5.0
assi (( resid 106 and name HB
))
(( resid 106 and name HN
))
3.80 3.12 3.12
! peak number c 1137 F1= 7.925 F2= 1.222 null null d= 4.2
assi (( resid 106 and name HG2*
))
(( resid 106 and name HN
))
3.19 2.21 2.21
! peak number n 117 F1= 1.241 F2= 8.345 null null d= 4.4
assi (( resid 106 and name HG2*
))
(( resid 107 and name HN
))
3.69 2.42 2.42
! peak number n 102 F1= 7.943 F2= 8.348 null null d= 4.1
assi (( resid 106 and name HN
))
(( resid 107 and name HN
))
3.44 1.02 1.02
! peak number n 109 F1= 3.948 F2= 8.345 null null d= 3.3
assi (( resid 107 and name HA1
))
(( resid 107 and name HN
))
2.76 0.82 0.82
! peak number h 942 F1= 7.910 F2= 3.925 null null d= 4.3
assi (( resid 107 and name HA1
))
(( resid 108 and name HN
))
3.31 1.09 1.09
! peak number h 607 F1= 1.702 F2= 4.348 null null d= 4.9
assi (( resid 107 and name HA2
))
(( resid 108 and name HB2
))
3.77 3.00 3.00
! peak number h 764 F1= 7.918 F2= 4.340 null null d= 5.4
assi (( resid 107 and name HA2
))
(( resid 108 and name HN
))
4.16 1.35 1.35
! peak number n 116 F1= 1.602 F2= 8.339 null null d= 4.6
assi (( resid 107 and name HN
))
(( resid 108 and name HG*) or ( resid 105 and name HG
))
3.86 2.64 2.64
! peak number n 118 F1= 8.349 F2= 7.936 null null d= 4.2
assi (( resid 107 and name HN
))
(( resid 108 and name HN
))
3.52 1.05 1.05
! peak number h 224 F1= 4.361 F2= 1.804 null null d= 5.2
assi (( resid 108 and name HA
))
(( resid 108 and name HB1
))
4.00 3.32 3.32
! peak number c 1138 F1= 4.323 F2= 1.754 null null d= 4.4
assi (( resid 108 and name HA
))
(( resid 108 and name HB2
))
3.34 2.38 2.38
! peak number c 321 F1= 1.623 F2= 4.336 null null d= 4.4
assi (( resid 108 and name HA
))
(( resid 108 and name HG*
))
3.34 2.48 2.48
! peak number c 1146 F1= 7.971 F2= 4.338 null null d= 4.5
assi (( resid 108 and name HA
))
(( resid 108 and name HN
))
3.42 1.12 1.12
! peak number c 1151 F1= 8.421 F2= 4.333 null null d= 4.2
assi (( resid 108 and name HA
))
(( resid 109 and name HN
))
3.19 1.05 1.05
! peak number c 1124 F1= 4.367 F2= 1.622 null null d= 4.0
assi (( resid 108 and name HA) or ( resid 105 and name HA
))
(( resid 108 and name HG*) or ( resid 105 and name HG
))
3.04 2.00 2.00
! peak number c 1144 F1= 3.163 F2= 1.861 null null d= 4.2
assi (( resid 108 and name HB1
))
(( resid 108 and name HD*
))
3.19 2.21 2.21
! peak number c 289 F1= 7.997 F2= 1.858 null null d= 5.0
assi (( resid 108 and name HB1
))
(( resid 108 and name HN
))
3.80 3.12 3.12
! peak number c 290 F1= 8.391 F2= 1.858 null null d= 4.4
assi (( resid 108 and name HB1
))
(( resid 109 and name HN
))
3.34 2.48 2.48
! peak number c 1143 F1= 3.154 F2= 1.754 null null d= 4.3
assi (( resid 108 and name HB2
))
(( resid 108 and name HD*
))
3.27 2.31 2.31
! peak number c 1147 F1= 7.973 F2= 1.752 null null d= 4.3
assi (( resid 108 and name HB2
))
(( resid 108 and name HN
))
3.27 2.31 2.31
! peak number c 291 F1= 8.380 F2= 1.755 null null d= 5.4
assi (( resid 108 and name HB2
))
(( resid 109 and name HN
))
4.10 3.65 3.65
! peak number c 1145 F1= 3.154 F2= 1.617 null null d= 3.7
assi (( resid 108 and name HD*
))
(( resid 108 and name HG*
))
2.81 1.71 1.71
! peak number h 631 F1= 1.585 F2= 3.935 null null d= 4.3
assi (( resid 108 and name HG*
))
(( resid 113 and name HA) or ( resid 107 and name HA1
))
3.31 2.31 2.31
! peak number h 765 F1= 7.920 F2= 4.391 null null d= 5.4
assi (( resid 108 and name HN
))
(( resid 110 and name HA
))
4.16 1.35 1.35
! peak number c 1149 F1= 4.435 F2= 3.892 null null d= 4.3
assi (( resid 109 and name HA
))
(( resid 109 and name HB*
))
3.27 2.34 2.34
! peak number c 151 F1= 4.394 F2= 2.067 null null d= 4.5
assi (( resid 109 and name HA
))
(( resid 110 and name HB2
))
3.42 2.53 2.53
! peak number n 86 F1= 4.445 F2= 8.591 null null d= 3.8
assi (( resid 109 and name HA
))
(( resid 110 and name HN
))
3.18 0.95 0.95
! peak number h 550 F1= 0.784 F2= 4.416 null null d= 5.5
assi (( resid 109 and name HA
))
(( resid 113 and name HG2*
))
4.23 3.78 3.78
! peak number n 85 F1= 4.394 F2= 8.405 null null d= 3.3
assi (( resid 109 and name HA) or ( resid 108 and name HA
))
(( resid 109 and name HN
))
2.76 1.36 1.36
! peak number c 1152 F1= 8.388 F2= 3.891 null null d= 4.9
assi (( resid 109 and name HB*
))
(( resid 109 and name HN
))
3.72 3.00 3.00
! peak number n 87 F1= 3.887 F2= 8.591 null null d= 4.6
assi (( resid 109 and name HB*
))
(( resid 110 and name HN
))
3.86 2.64 2.64
! peak number c 1154 F1= 2.527 F2= 4.464 null null d= 3.9
assi (( resid 110 and name HA
))
(( resid 110 and name HB1
))
2.96 1.90 1.90
! peak number c 1153 F1= 2.036 F2= 4.462 null null d= 3.4
assi (( resid 110 and name HA
))
(( resid 110 and name HB2
))
2.58 1.44 1.44
! peak number n 39 F1= 2.559 F2= 8.588 null null d= 4.9
assi (( resid 110 and name HB1
))
(( resid 110 and name HN
))
4.11 3.00 3.00
! peak number n 84 F1= 2.052 F2= 8.588 null null d= 4.2
assi (( resid 110 and name HB2
))
(( resid 110 and name HN
))
3.52 2.21 2.21
! peak number n 95 F1= 2.021 F2= 8.257 null null d= 3.7
assi (( resid 110 and name HB2
))
(( resid 111 and name HN
))
3.10 1.71 1.71
! peak number h 375 F1= 2.051 F2= 1.960 null null d= 2.8
assi (( resid 110 and name HB2
))
(( resid 113 and name HB
))
2.15 0.98 0.98
! peak number n 89 F1= 8.562 F2= 8.260 null null d= 4.2
assi (( resid 110 and name HN
))
(( resid 111 and name HN
))
3.52 1.05 1.05
! peak number c 1155 F1= 4.606 F2= 2.680 null null d= 3.2
assi (( resid 111 and name HA
))
(( resid 111 and name HB*
))
2.43 1.32 1.32
! peak number c 1157 F1= 8.279 F2= 4.589 null null d= 3.7
assi (( resid 111 and name HA
))
(( resid 111 and name HN
))
2.81 0.93 0.93
! peak number n 94 F1= 4.514 F2= 7.891 null null d= 4.0
assi (( resid 111 and name HA
))
(( resid 112 and name HN
))
3.35 1.00 1.00
! peak number c 1158 F1= 8.293 F2= 2.678 null null d= 4.0
assi (( resid 111 and name HB*
))
(( resid 111 and name HN
))
3.04 2.00 2.00
! peak number n 91 F1= 2.670 F2= 7.895 null null d= 4.1
assi (( resid 111 and name HB*
))
(( resid 112 and name HN
))
3.44 2.10 2.10
! peak number n 97 F1= 8.238 F2= 7.895 null null d= 4.4
assi (( resid 111 and name HN
))
(( resid 112 and name HN
))
3.69 1.10 1.10
! peak number n 81 F1= 7.903 F2= 8.260 null null d= 3.8
assi (( resid 111 and name HN
))
(( resid 112 and name HN) or ( resid 108 and name HN
))
3.18 1.80 1.80
! peak number n 96 F1= 0.805 F2= 8.260 null null d= 4.3
assi (( resid 111 and name HN
))
(( resid 113 and name HG2*
))
3.60 2.31 2.31
! peak number c 1159 F1= 1.143 F2= 4.191 null null d= 3.8
assi (( resid 112 and name HA
))
(( resid 112 and name HG2*
))
2.88 1.84 1.84
! peak number c 1160 F1= 7.898 F2= 4.194 null null d= 4.5
assi (( resid 112 and name HA
))
(( resid 112 and name HN
))
3.42 1.12 1.12
! peak number h 1037 F1= 4.148 F2= 0.789 null null d= 5.7
assi (( resid 112 and name HA
))
(( resid 113 and name HG2*
))
4.39 4.06 4.06
! peak number h 256 F1= 4.146 F2= 7.818 null null d= 4.2
assi (( resid 112 and name HA
))
(( resid 113 and name HN
))
3.23 1.06 1.06
! peak number h 286 F1= 4.152 F2= 6.753 null null d= 5.9
assi (( resid 112 and name HA
))
(( resid 115 and name HD*
))
4.54 4.35 4.35
! peak number h 806 F1= 6.526 F2= 4.148 null null d= 6.0
assi (( resid 112 and name HA
))
(( resid 115 and name HE*
))
4.62 4.50 4.50
! peak number h 204 F1= 4.176 F2= 1.128 null null d= 4.0
assi (( resid 112 and name HB
))
(( resid 112 and name HG2*
))
3.08 2.00 2.00
! peak number c 1161 F1= 7.898 F2= 4.216 null null d= 4.5
assi (( resid 112 and name HB
))
(( resid 112 and name HN
))
3.42 2.53 2.53
! peak number h 551 F1= 0.800 F2= 4.172 null null d= 5.7
assi (( resid 112 and name HB
))
(( resid 113 and name HG2*
))
4.39 4.06 4.06
! peak number h 805 F1= 6.753 F2= 4.168 null null d= 6.4
assi (( resid 112 and name HB
))
(( resid 115 and name HD*
))
4.93 5.12 5.12
! peak number c 1109 F1= 1.177 F2= 4.216 null null d= 3.7
assi (( resid 112 and name HB) or ( resid 101 and name HB
))
(( resid 112 and name HG2*) or ( resid 101 and name HG2*
))
2.81 1.71 1.71
! peak number c 1108 F1= 4.183 F2= 1.179 null null d= 3.4
assi (( resid 112 and name HB) or ( resid 112 and name HA) or ( resid 101 and name HB
))
(( resid 112 and name HG2*) or ( resid 101 and name HG2*
))
2.58 1.44 1.44
! peak number h 1046 F1= 7.876 F2= 1.122 null null d= 4.7
assi (( resid 112 and name HG2*
))
(( resid 112 and name HN
))
3.62 2.76 2.76
! peak number c 1162 F1= 7.857 F2= 1.181 null null d= 5.4
assi (( resid 112 and name HG2*
))
(( resid 113 and name HN
))
4.10 3.65 3.65
! peak number h 807 F1= 6.754 F2= 1.114 null null d= 6.2
assi (( resid 112 and name HG2*
))
(( resid 115 and name HD*
))
4.77 4.81 4.81
! peak number h 1465 F1= 6.528 F2= 1.115 null null d= 6.5
assi (( resid 112 and name HG2*
))
(( resid 115 and name HE*
))
5.00 5.28 5.28
! peak number c 1165 F1= 1.988 F2= 3.985 null null d= 4.7
assi (( resid 113 and name HA
))
(( resid 113 and name HB
))
3.57 2.80 2.80
! peak number c 1163 F1= 3.972 F2= 0.742 null null d= 4.2
assi (( resid 113 and name HA
))
(( resid 113 and name HG1*
))
3.19 2.24 2.24
! peak number c 1164 F1= 3.978 F2= 0.845 null null d= 4.3
assi (( resid 113 and name HA
))
(( resid 113 and name HG2*
))
3.27 2.34 2.34
! peak number c 1170 F1= 7.852 F2= 3.984 null null d= 4.5
assi (( resid 113 and name HA
))
(( resid 113 and name HN
))
3.42 1.14 1.14
! peak number h 259 F1= 3.936 F2= 7.979 null null d= 4.4
assi (( resid 113 and name HA
))
(( resid 114 and name HN
))
3.39 1.10 1.10
! peak number h 732 F1= 7.739 F2= 3.933 null null d= 5.3
assi (( resid 113 and name HA
))
(( resid 115 and name HN
))
4.08 1.32 1.32
! peak number c 1166 F1= 1.995 F2= 0.742 null null d= 4.1
assi (( resid 113 and name HB
))
(( resid 113 and name HG1*
))
3.11 2.10 2.10
! peak number c 1167 F1= 1.988 F2= 0.842 null null d= 3.9
assi (( resid 113 and name HB
))
(( resid 113 and name HG2*
))
2.96 1.93 1.93
! peak number c 1171 F1= 7.877 F2= 1.992 null null d= 4.5
assi (( resid 113 and name HB
))
(( resid 113 and name HN
))
3.42 2.57 2.57
! peak number h 1111 F1= 7.988 F2= 1.941 null null d= 4.8
assi (( resid 113 and name HB
))
(( resid 114 and name HN
))
3.69 2.94 2.94
! peak number h 1466 F1= 6.527 F2= 1.952 null null d= 5.9
assi (( resid 113 and name HB
))
(( resid 115 and name HE*
))
4.54 4.35 4.35
! peak number c 1172 F1= 7.850 F2= 0.745 null null d= 5.4
assi (( resid 113 and name HG1*
))
(( resid 113 and name HN
))
4.10 3.60 3.60
! peak number h 1060 F1= 7.984 F2= 0.697 null null d= 5.6
assi (( resid 113 and name HG1*
))
(( resid 114 and name HN
))
4.31 3.85 3.85
! peak number h 1467 F1= 6.526 F2= 0.697 null null d= 5.6
assi (( resid 113 and name HG1*
))
(( resid 115 and name HE*
))
4.31 3.92 3.92
! peak number c 1173 F1= 7.857 F2= 0.845 null null d= 4.5
assi (( resid 113 and name HG2*
))
(( resid 113 and name HN
))
3.42 2.50 2.50
! peak number h 1059 F1= 7.986 F2= 0.783 null null d= 4.9
assi (( resid 113 and name HG2*
))
(( resid 114 and name HN
))
3.77 3.00 3.00
! peak number h 1468 F1= 6.524 F2= 0.800 null null d= 6.0
assi (( resid 113 and name HG2*
))
(( resid 115 and name HE*
))
4.62 4.50 4.50
! peak number h 1003 F1= 6.778 F2= 0.797 null null d= 5.0
assi (( resid 113 and name HG2*
))
(( resid 117 and name HE*
))
3.85 3.19 3.19
! peak number n 145 F1= 4.218 F2= 7.841 null null d= 4.1
assi (( resid 113 and name HN
))
(( resid 115 and name HA
))
3.44 1.02 1.02
! peak number c 1175 F1= 3.699 F2= 4.055 null null d= 4.9
assi (( resid 114 and name HA
))
(( resid 114 and name HB*
))
3.72 3.00 3.00
! peak number h 731 F1= 7.739 F2= 3.988 null null d= 4.8
assi (( resid 114 and name HA
))
(( resid 115 and name HN
))
3.69 1.19 1.19
! peak number n 139 F1= 3.968 F2= 8.020 null null d= 3.2
assi (( resid 114 and name HA) or ( resid 113 and name HA
))
(( resid 114 and name HN
))
2.68 1.28 1.28
! peak number h 1045 F1= 7.982 F2= 3.641 null null d= 4.4
assi (( resid 114 and name HB*
))
(( resid 114 and name HN
))
3.39 2.42 2.42
! peak number c 1180 F1= 7.782 F2= 3.682 null null d= 4.6
assi (( resid 114 and name HB*
))
(( resid 115 and name HN
))
3.49 2.64 2.64
! peak number n 143 F1= 7.791 F2= 8.023 null null d= 4.1
assi (( resid 114 and name HN
))
(( resid 115 and name HN
))
3.44 1.02 1.02
! peak number c 1177 F1= 4.278 F2= 2.297 null null d= 5.1
assi (( resid 115 and name HA
))
(( resid 115 and name HB2
))
3.87 3.25 3.25
! peak number c 1196 F1= 6.784 F2= 4.290 null null d= 4.6
assi (( resid 115 and name HA
))
(( resid 115 and name HD*
))
3.49 2.61 2.61
! peak number h 1459 F1= 6.527 F2= 4.245 null null d= 5.9
assi (( resid 115 and name HA
))
(( resid 115 and name HE*
))
4.54 4.35 4.35
! peak number h 1469 F1= 7.744 F2= 4.240 null null d= 4.9
assi (( resid 115 and name HA
))
(( resid 115 and name HN
))
3.77 1.23 1.23
! peak number n 666 F1= 4.240 F2= 7.605 null null d= 4.6
assi (( resid 115 and name HA
))
(( resid 116 and name HD21
))
3.86 2.64 2.64
! peak number n 665 F1= 4.242 F2= 6.854 null null d= 4.4
assi (( resid 115 and name HA
))
(( resid 116 and name HD22
))
3.69 2.42 2.42
! peak number h 193 F1= 4.234 F2= 2.377 null null d= 5.0
assi (( resid 115 and name HA
))
(( resid 120 and name HG1
))
3.85 3.06 3.06
! peak number c 1178 F1= 6.787 F2= 2.063 null null d= 5.0
assi (( resid 115 and name HB1
))
(( resid 115 and name HD*
))
3.80 3.12 3.12
! peak number h 1460 F1= 6.529 F2= 2.019 null null d= 5.7
assi (( resid 115 and name HB1
))
(( resid 115 and name HE*
))
4.39 4.06 4.06
! peak number c 1181 F1= 7.736 F2= 2.070 null null d= 5.1
assi (( resid 115 and name HB1
))
(( resid 115 and name HN
))
3.87 3.21 3.21
! peak number h 990 F1= 6.784 F2= 2.026 null null d= 5.0
assi (( resid 115 and name HB1
))
(( resid 117 and name HE*
))
3.85 3.12 3.12
! peak number h 1456 F1= 6.750 F2= 2.247 null null d= 4.9
assi (( resid 115 and name HB2
))
(( resid 115 and name HD*
))
3.77 3.00 3.00
! peak number h 1461 F1= 6.526 F2= 2.242 null null d= 6.4
assi (( resid 115 and name HB2
))
(( resid 115 and name HE*
))
4.93 5.12 5.12
! peak number c 102 F1= 7.737 F2= 2.301 null null d= 5.0
assi (( resid 115 and name HB2
))
(( resid 115 and name HN
))
3.80 3.12 3.12
! peak number c 1179 F1= 6.793 F2= 2.299 null null d= 4.7
assi (( resid 115 and name HB2
))
(( resid 117 and name HZ) or ( resid 115 and name HD*
))
3.57 2.76 2.76
! peak number h 1452 F1= 6.527 F2= 6.751 null null d= 3.3
assi (( resid 115 and name HD*
))
(( resid 115 and name HE*
))
2.54 1.40 1.40
! peak number h 1458 F1= 6.748 F2= 7.741 null null d= 5.6
assi (( resid 115 and name HD*
))
(( resid 115 and name HN
))
4.31 3.92 3.92
! peak number h 1453 F1= 6.751 F2= 1.377 null null d= 5.2
assi (( resid 115 and name HD*
))
(( resid 59 and name HE*
))
4.00 3.38 3.38
! peak number h 796 F1= 6.752 F2= 0.951 null null d= 5.2
assi (( resid 115 and name HD*
))
(( resid 62 and name HD1*
))
4.00 3.38 3.38
! peak number h 795 F1= 6.750 F2= 0.974 null null d= 5.0
assi (( resid 115 and name HD*
))
(( resid 62 and name HD2*
))
3.85 3.12 3.12
! peak number h 1462 F1= 6.526 F2= 1.375 null null d= 5.0
assi (( resid 115 and name HE*
))
(( resid 59 and name HE*
))
3.85 3.19 3.19
! peak number h 1463 F1= 6.526 F2= 0.954 null null d= 5.6
assi (( resid 115 and name HE*
))
(( resid 62 and name HD1*
))
4.31 3.92 3.92
! peak number h 1260 F1= 0.973 F2= 6.531 null null d= 5.5
assi (( resid 115 and name HE*
))
(( resid 62 and name HD2*
))
4.23 3.78 3.78
! peak number n 157 F1= 6.818 F2= 7.770 null null d= 4.4
assi (( resid 115 and name HN
))
(( resid 117 and name HE*
))
3.69 2.42 2.42
! peak number c 1184 F1= 4.790 F2= 2.976 null null d= 4.6
assi (( resid 116 and name HA
))
(( resid 116 and name HB1
))
3.49 2.59 2.59
! peak number c 1183 F1= 4.803 F2= 2.515 null null d= 5.0
assi (( resid 116 and name HA
))
(( resid 116 and name HB2
))
3.80 3.19 3.19
! peak number h 833 F1= 8.254 F2= 4.759 null null d= 5.4
assi (( resid 116 and name HA
))
(( resid 116 and name HN
))
4.16 1.35 1.35
! peak number c 1191 F1= 7.400 F2= 4.814 null null d= 4.0
assi (( resid 116 and name HA
))
(( resid 117 and name HN
))
3.04 1.01 1.01
! peak number c 1186 F1= 2.520 F2= 2.980 null null d= 3.8
assi (( resid 116 and name HB1
))
(( resid 116 and name HB2
))
2.88 1.76 1.76
! peak number c 106 F1= 7.650 F2= 2.971 null null d= 4.7
assi (( resid 116 and name HB1
))
(( resid 116 and name HD21
))
3.57 2.76 2.76
! peak number c 103 F1= 6.891 F2= 2.978 null null d= 4.8
assi (( resid 116 and name HB1
))
(( resid 116 and name HD22
))
3.65 2.94 2.94
! peak number h 832 F1= 8.253 F2= 2.935 null null d= 5.8
assi (( resid 116 and name HB1
))
(( resid 116 and name HN
))
4.46 4.21 4.21
! peak number c 438 F1= 7.642 F2= 2.510 null null d= 5.3
assi (( resid 116 and name HB2
))
(( resid 116 and name HD21
))
4.03 3.47 3.47
! peak number c 104 F1= 6.872 F2= 2.508 null null d= 5.3
assi (( resid 116 and name HB2
))
(( resid 116 and name HD22
))
4.03 3.47 3.47
! peak number c 105 F1= 8.269 F2= 2.518 null null d= 5.9
assi (( resid 116 and name HB2
))
(( resid 116 and name HN
))
4.48 4.35 4.35
! peak number h 1492 F1= 7.392 F2= 2.466 null null d= 6.3
assi (( resid 116 and name HB2
))
(( resid 117 and name HN
))
4.85 4.96 4.96
! peak number h 1472 F1= 6.827 F2= 7.578 null null d= 3.1
assi (( resid 116 and name HD21
))
(( resid 116 and name HD22
))
2.38 1.18 1.18
! peak number h 801 F1= 1.172 F2= 7.572 null null d= 5.1
assi (( resid 116 and name HD21
))
(( resid 119 and name HG2*
))
3.93 3.29 3.29
! peak number n 675 F1= 7.631 F2= 7.335 null null d= 4.7
assi (( resid 116 and name HD21
))
(( resid 119 and name HN
))
3.94 2.76 2.76
! peak number c 160 F1= 7.625 F2= 4.325 null null d= 4.7
assi (( resid 116 and name HD21
))
(( resid 59 and name HA
))
3.57 2.76 2.76
! peak number n 192 F1= 1.683 F2= 7.607 null null d= 4.6
assi (( resid 116 and name HD21
))
(( resid 62 and name HB1) or ( resid 118 and name HB*
))
3.86 2.64 2.64
! peak number n 3 F1= 1.173 F2= 7.602 null null d= 4.4
assi (( resid 116 and name HD21
))
(( resid 63 and name HB1) or ( resid 119 and name HG2*
))
3.69 2.42 2.42
! peak number n 196 F1= 1.698 F2= 6.866 null null d= 4.8
assi (( resid 116 and name HD22
))
(( resid 118 and name HB*
))
4.02 2.88 2.88
! peak number n 668 F1= 1.159 F2= 6.864 null null d= 4.1
assi (( resid 116 and name HD22
))
(( resid 119 and name HG2*
))
3.44 2.10 2.10
! peak number c 1189 F1= 4.462 F2= 2.142 null null d= 5.1
assi (( resid 117 and name HA
))
(( resid 117 and name HB1
))
3.87 3.25 3.25
! peak number h 1474 F1= 7.329 F2= 4.426 null null d= 4.8
assi (( resid 117 and name HA
))
(( resid 117 and name HD*
))
3.69 2.94 2.94
! peak number h 1473 F1= 7.391 F2= 4.427 null null d= 4.7
assi (( resid 117 and name HA
))
(( resid 117 and name HN
))
3.62 1.18 1.18
! peak number h 773 F1= 8.532 F2= 4.432 null null d= 5.2
assi (( resid 117 and name HA
))
(( resid 118 and name HN
))
4.00 1.29 1.29
! peak number n 183 F1= 4.435 F2= 7.625 null null d= 4.7
assi (( resid 117 and name HA
))
(( resid 121 and name HN
))
3.94 1.18 1.18
! peak number h 1480 F1= 6.781 F2= 4.424 null null d= 5.3
assi (( resid 117 and name HA
))
(( resid 99 and name HE*) or ( resid 117 and name HE*
))
4.08 3.51 3.51
! peak number h 106 F1= 2.104 F2= 7.330 null null d= 5.2
assi (( resid 117 and name HB1
))
(( resid 117 and name HD*
))
4.00 3.38 3.38
! peak number h 1482 F1= 6.783 F2= 2.089 null null d= 5.5
assi (( resid 117 and name HB1
))
(( resid 117 and name HE*
))
4.23 3.78 3.78
! peak number h 105 F1= 2.102 F2= 7.392 null null d= 5.0
assi (( resid 117 and name HB1
))
(( resid 117 and name HN
))
3.85 3.13 3.13
! peak number c 1192 F1= 7.393 F2= 2.140 null null d= 4.8
assi (( resid 117 and name HB1
))
(( resid 117 and name HN) or ( resid 117 and name HD*
))
3.65 2.88 2.88
! peak number c 23 F1= 0.796 F2= 2.143 null null d= 4.8
assi (( resid 117 and name HB1
))
(( resid 121 and name HD1*
))
3.65 2.88 2.88
! peak number c 86 F1= 0.767 F2= 2.145 null null d= 4.9
assi (( resid 117 and name HB1
))
(( resid 121 and name HG1*) or ( resid 121 and name HD1*
))
3.72 3.00 3.00
! peak number h 109 F1= 1.858 F2= 7.322 null null d= 5.4
assi (( resid 117 and name HB2
))
(( resid 117 and name HD*
))
4.16 3.71 3.71
! peak number h 1481 F1= 6.784 F2= 1.856 null null d= 5.9
assi (( resid 117 and name HB2
))
(( resid 117 and name HE*
))
4.54 4.35 4.35
! peak number h 1490 F1= 7.391 F2= 1.856 null null d= 4.7
assi (( resid 117 and name HB2
))
(( resid 117 and name HN
))
3.62 2.70 2.70
! peak number c 1193 F1= 7.407 F2= 1.899 null null d= 5.0
assi (( resid 117 and name HB2
))
(( resid 117 and name HN) or ( resid 117 and name HD*
))
3.80 3.12 3.12
! peak number n 658 F1= 1.851 F2= 8.562 null null d= 3.9
assi (( resid 117 and name HB2
))
(( resid 118 and name HN
))
3.27 1.90 1.90
! peak number h 351 F1= 1.860 F2= 1.502 null null d= 4.7
assi (( resid 117 and name HB2
))
(( resid 59 and name HB2
))
3.62 2.76 2.76
! peak number h 353 F1= 1.860 F2= 1.393 null null d= 4.7
assi (( resid 117 and name HB2
))
(( resid 63 and name HG) or ( resid 59 and name HB1
))
3.62 2.76 2.76
! peak number h 1477 F1= 7.326 F2= 6.781 null null d= 3.7
assi (( resid 117 and name HD*
))
(( resid 117 and name HE*
))
2.85 1.71 1.71
! peak number h 1478 F1= 7.330 F2= 6.726 null null d= 4.7
assi (( resid 117 and name HD*
))
(( resid 117 and name HZ
))
3.62 2.76 2.76
! peak number h 682 F1= 7.322 F2= 8.523 null null d= 5.4
assi (( resid 117 and name HD*
))
(( resid 118 and name HN
))
4.16 3.65 3.65
! peak number h 112 F1= 2.074 F2= 7.330 null null d= 5.3
assi (( resid 117 and name HD*
))
(( resid 120 and name HB1
))
4.08 3.51 3.51
! peak number h 975 F1= 7.326 F2= 0.719 null null d= 4.8
assi (( resid 117 and name HD*
))
(( resid 121 and name HG1*
))
3.69 2.88 2.88
! peak number h 1479 F1= 7.328 F2= -0.054 null null d= 5.1
assi (( resid 117 and name HD*
))
(( resid 63 and name HD1*
))
3.93 3.25 3.25
! peak number h 775 F1= 7.326 F2= 4.539 null null d= 5.8
assi (( resid 117 and name HD*
))
(( resid 66 and name HA
))
4.46 4.21 4.21
! peak number h 663 F1= 7.392 F2= 6.788 null null d= 5.1
assi (( resid 117 and name HE*
))
(( resid 117 and name HN
))
3.93 3.25 3.25
! peak number h 1484 F1= 6.786 F2= 6.723 null null d= 3.5
assi (( resid 117 and name HE*
))
(( resid 117 and name HZ
))
2.69 1.53 1.53
! peak number h 1485 F1= 6.784 F2= 1.377 null null d= 4.2
assi (( resid 117 and name HE*
))
(( resid 59 and name HE*
))
3.23 2.26 2.26
! peak number h 1184 F1= 6.784 F2= 1.646 null null d= 5.2
assi (( resid 117 and name HE*
))
(( resid 62 and name HB1
))
4.00 3.45 3.45
! peak number h 1258 F1= 0.952 F2= 6.778 null null d= 5.1
assi (( resid 117 and name HE*
))
(( resid 62 and name HD1*
))
3.93 3.25 3.25
! peak number h 1261 F1= 0.971 F2= 6.778 null null d= 4.8
assi (( resid 117 and name HE*
))
(( resid 62 and name HD2*
))
3.69 2.94 2.94
! peak number h 1487 F1= 6.780 F2= 8.164 null null d= 6.2
assi (( resid 117 and name HE*
))
(( resid 63 and name HN
))
4.77 4.81 4.81
! peak number h 678 F1= 7.390 F2= 8.531 null null d= 4.8
assi (( resid 117 and name HN
))
(( resid 118 and name HN
))
3.69 1.20 1.20
! peak number c 1208 F1= 7.380 F2= 4.300 null null d= 5.2
assi (( resid 117 and name HN
))
(( resid 119 and name HB
))
3.95 3.38 3.38
! peak number h 104 F1= 2.071 F2= 7.392 null null d= 5.5
assi (( resid 117 and name HN
))
(( resid 120 and name HB1
))
4.23 3.78 3.78
! peak number n 138 F1= 2.407 F2= 7.412 null null d= 4.5
assi (( resid 117 and name HN
))
(( resid 120 and name HG1
))
3.77 2.53 2.53
! peak number c 1195 F1= 6.790 F2= 1.429 null null d= 4.4
assi (( resid 117 and name HZ
))
(( resid 59 and name HE*
))
3.34 2.46 2.46
! peak number c 295 F1= 6.786 F2= 2.044 null null d= 4.8
assi (( resid 117 and name HZ
))
(( resid 59 and name HG2
))
3.65 2.88 2.88
! peak number h 968 F1= 6.718 F2= 2.010 null null d= 5.4
assi (( resid 117 and name HZ
))
(( resid 59 and name HG2) or ( resid 115 and name HB1
))
4.16 3.65 3.65
! peak number c 1197 F1= 6.771 F2= 1.705 null null d= 5.3
assi (( resid 117 and name HZ
))
(( resid 62 and name HB1
))
4.03 3.47 3.47
! peak number h 803 F1= 6.723 F2= 0.954 null null d= 5.0
assi (( resid 117 and name HZ
))
(( resid 62 and name HD1*
))
3.85 3.12 3.12
! peak number h 1262 F1= 0.970 F2= 6.725 null null d= 4.9
assi (( resid 117 and name HZ
))
(( resid 62 and name HD2*
))
3.77 3.00 3.00
! peak number c 1198 F1= 6.773 F2= 1.022 null null d= 4.2
assi (( resid 117 and name HZ
))
(( resid 62 and name HD2*) or ( resid 62 and name HD1*
))
3.19 2.21 2.21
! peak number c 1190 F1= 6.790 F2= 0.748 null null d= 5.3
assi (( resid 117 and name HZ
))
(( resid 63 and name HD2*
))
4.03 3.51 3.51
! peak number h 123 F1= 0.702 F2= 6.718 null null d= 5.8
assi (( resid 117 and name HZ
))
(( resid 63 and name HD2*) or ( resid 121 and name HG1*
))
4.46 4.13 4.13
! peak number h 1495 F1= 6.716 F2= 8.165 null null d= 6.0
assi (( resid 117 and name HZ
))
(( resid 63 and name HN
))
4.62 4.50 4.50
! peak number c 1199 F1= 4.183 F2= 1.701 null null d= 3.8
assi (( resid 118 and name HA
))
(( resid 118 and name HB*
))
2.88 1.83 1.83
! peak number c 1201 F1= 8.572 F2= 4.182 null null d= 4.4
assi (( resid 118 and name HA
))
(( resid 118 and name HN
))
3.34 1.11 1.11
! peak number h 320 F1= 4.133 F2= 7.309 null null d= 5.4
assi (( resid 118 and name HA
))
(( resid 119 and name HN
))
4.16 1.35 1.35
! peak number c 303 F1= 1.061 F2= 4.184 null null d= 4.7
assi (( resid 118 and name HA
))
(( resid 126 and name HD1*
))
3.57 2.76 2.76
! peak number c 302 F1= 1.123 F2= 4.184 null null d= 4.8
assi (( resid 118 and name HA
))
(( resid 126 and name HD2*
))
3.65 2.88 2.88
! peak number c 758 F1= 7.409 F2= 4.184 null null d= 5.0
assi (( resid 118 and name HA
))
(( resid 66 and name HD*) or ( resid 117 and name HN
))
3.80 3.12 3.12
! peak number c 763 F1= 7.262 F2= 4.185 null null d= 5.0
assi (( resid 118 and name HA
))
(( resid 66 and name HE*
))
3.80 3.17 3.17
! peak number c 772 F1= 7.067 F2= 4.185 null null d= 4.6
assi (( resid 118 and name HA
))
(( resid 66 and name HZ
))
3.49 2.64 2.64
! peak number c 1202 F1= 8.586 F2= 1.697 null null d= 3.8
assi (( resid 118 and name HB*
))
(( resid 118 and name HN
))
2.88 1.80 1.80
! peak number h 492 F1= 1.646 F2= 4.453 null null d= 5.6
assi (( resid 118 and name HB*
))
(( resid 119 and name HA
))
4.31 3.92 3.92
! peak number h 356 F1= 1.646 F2= 1.153 null null d= 4.4
assi (( resid 118 and name HB*
))
(( resid 119 and name HG2*
))
3.39 2.42 2.42
! peak number h 532 F1= 1.648 F2= 7.299 null null d= 4.3
assi (( resid 118 and name HB*
))
(( resid 119 and name HN
))
3.31 2.37 2.37
! peak number c 759 F1= 7.429 F2= 1.697 null null d= 4.1
assi (( resid 118 and name HB*
))
(( resid 66 and name HD*
))
3.11 2.10 2.10
! peak number c 764 F1= 7.250 F2= 1.700 null null d= 4.2
assi (( resid 118 and name HB*
))
(( resid 66 and name HE*
))
3.19 2.21 2.21
! peak number c 773 F1= 7.044 F2= 1.698 null null d= 4.6
assi (( resid 118 and name HB*
))
(( resid 66 and name HZ
))
3.49 2.59 2.59
! peak number h 903 F1= 8.532 F2= 7.309 null null d= 4.1
assi (( resid 118 and name HN
))
(( resid 119 and name HN
))
3.15 1.03 1.03
! peak number n 182 F1= 8.567 F2= 7.891 null null d= 4.5
assi (( resid 118 and name HN
))
(( resid 120 and name HN
))
3.77 1.12 1.12
! peak number c 339 F1= 8.614 F2= 2.156 null null d= 5.7
assi (( resid 118 and name HN
))
(( resid 63 and name HB2
))
4.33 4.06 4.06
! peak number h 1099 F1= 8.532 F2= 2.096 null null d= 4.8
assi (( resid 118 and name HN
))
(( resid 63 and name HB2) or ( resid 117 and name HB1
))
3.69 2.82 2.82
! peak number h 687 F1= 7.207 F2= 8.535 null null d= 5.5
assi (( resid 118 and name HN
))
(( resid 66 and name HE*
))
4.23 3.78 3.78
! peak number h 686 F1= 7.023 F2= 8.533 null null d= 6.0
assi (( resid 118 and name HN
))
(( resid 66 and name HZ
))
4.62 4.50 4.50
! peak number n 618 F1= 7.215 F2= 8.562 null null d= 4.0
assi (( resid 118 and name HN
))
(( resid 99 and name HD*) or ( resid 66 and name HE*
))
3.35 2.00 2.00
! peak number h 599 F1= 4.248 F2= 4.453 null null d= 4.1
assi (( resid 119 and name HA
))
(( resid 119 and name HB
))
3.15 2.05 2.05
! peak number c 1205 F1= 1.191 F2= 4.509 null null d= 4.3
assi (( resid 119 and name HA
))
(( resid 119 and name HG2*
))
3.27 2.28 2.28
! peak number c 1207 F1= 7.298 F2= 4.509 null null d= 5.1
assi (( resid 119 and name HA
))
(( resid 119 and name HN
))
3.87 1.27 1.27
! peak number h 761 F1= 7.869 F2= 4.445 null null d= 5.6
assi (( resid 119 and name HA
))
(( resid 120 and name HN
))
4.31 1.40 1.40
! peak number n 664 F1= 4.446 F2= 7.332 null null d= 3.9
assi (( resid 119 and name HA) or ( resid 117 and name HA
))
(( resid 119 and name HN
))
3.27 1.90 1.90
! peak number c 1206 F1= 1.204 F2= 4.298 null null d= 3.6
assi (( resid 119 and name HB
))
(( resid 119 and name HG2*
))
2.73 1.62 1.62
! peak number h 1502 F1= 7.306 F2= 4.240 null null d= 4.8
assi (( resid 119 and name HB
))
(( resid 119 and name HN
))
3.69 2.88 2.88
! peak number c 1133 F1= 4.326 F2= 1.222 null null d= 3.3
assi (( resid 119 and name HB) or ( resid 106 and name HB
))
(( resid 119 and name HG2*) or ( resid 106 and name HG2*
))
2.50 1.36 1.36
! peak number c 370 F1= 7.346 F2= 1.197 null null d= 4.5
assi (( resid 119 and name HG2*
))
(( resid 119 and name HN
))
3.42 2.49 2.49
! peak number n 277 F1= 1.121 F2= 7.892 null null d= 3.9
assi (( resid 119 and name HG2*
))
(( resid 120 and name HN
))
3.27 1.90 1.90
! peak number n 127 F1= 2.407 F2= 7.330 null null d= 4.5
assi (( resid 119 and name HN
))
(( resid 120 and name HG1
))
3.77 2.53 2.53
! peak number n 104 F1= 7.345 F2= 7.892 null null d= 3.5
assi (( resid 119 and name HN
))
(( resid 120 and name HN
))
2.93 0.86 0.86
! peak number c 340 F1= 7.312 F2= 1.238 null null d= 5.7
assi (( resid 119 and name HN
))
(( resid 63 and name HB1
))
4.33 4.06 4.06
! peak number n 123 F1= 2.113 F2= 7.334 null null d= 4.4
assi (( resid 119 and name HN
))
(( resid 63 and name HB2) or ( resid 117 and name HB1
))
3.69 2.42 2.42
! peak number n 291 F1= 7.351 F2= 7.625 null null d= 4.4
assi (( resid 119 and name HN) or ( resid 117 and name HD*
))
(( resid 121 and name HN
))
3.69 2.42 2.42
! peak number n 673 F1= 4.261 F2= 7.630 null null d= 4.5
assi (( resid 120 and name HA
))
(( resid 121 and name HN
))
3.77 1.12 1.12
! peak number n 186 F1= 4.261 F2= 7.893 null null d= 3.4
assi (( resid 120 and name HA) or ( resid 105 and name HA
))
(( resid 120 and name HN) or ( resid 105 and name HN
))
2.85 1.44 1.44
! peak number h 1187 F1= 7.862 F2= 2.061 null null d= 4.7
assi (( resid 120 and name HB1
))
(( resid 120 and name HN
))
3.62 2.76 2.76
! peak number h 1157 F1= 7.600 F2= 2.059 null null d= 5.2
assi (( resid 120 and name HB1
))
(( resid 121 and name HN
))
4.00 3.38 3.38
! peak number n 184 F1= 2.218 F2= 7.893 null null d= 3.6
assi (( resid 120 and name HB2
))
(( resid 120 and name HN
))
3.02 1.62 1.62
! peak number h 107 F1= 2.211 F2= 7.592 null null d= 5.1
assi (( resid 120 and name HB2
))
(( resid 121 and name HN
))
3.93 3.29 3.29
! peak number h 113 F1= 2.222 F2= 6.782 null null d= 5.2
assi (( resid 120 and name HB2
))
(( resid 99 and name HE*
))
4.00 3.45 3.45
! peak number n 108 F1= 2.407 F2= 7.892 null null d= 3.7
assi (( resid 120 and name HG1
))
(( resid 120 and name HN
))
3.10 1.71 1.71
! peak number n 207 F1= 2.387 F2= 7.633 null null d= 4.1
assi (( resid 120 and name HG1
))
(( resid 121 and name HN
))
3.44 2.10 2.10
! peak number n 100 F1= 7.639 F2= 7.892 null null d= 4.0
assi (( resid 120 and name HN
))
(( resid 121 and name HN
))
3.35 1.00 1.00
! peak number h 80 F1= 2.199 F2= 7.864 null null d= 5.7
assi (( resid 120 and name HN
))
(( resid 62 and name HB2
))
4.39 4.06 4.06
! peak number c 1209 F1= 3.336 F2= 1.770 null null d= 5.7
assi (( resid 121 and name HA
))
(( resid 121 and name HB
))
4.33 3.99 3.99
! peak number c 1210 F1= 3.366 F2= 0.773 null null d= 5.1
assi (( resid 121 and name HA
))
(( resid 121 and name HD1*
))
3.87 3.25 3.25
! peak number c 1215 F1= 0.860 F2= 3.365 null null d= 4.4
assi (( resid 121 and name HA
))
(( resid 121 and name HG2*
))
3.34 2.42 2.42
! peak number c 1225 F1= 2.391 F2= 3.365 null null d= 4.2
assi (( resid 121 and name HA
))
(( resid 122 and name HD*
))
3.19 2.21 2.21
! peak number c 1231 F1= 1.673 F2= 3.368 null null d= 4.8
assi (( resid 121 and name HA
))
(( resid 122 and name HG*
))
3.65 2.88 2.88
! peak number c 450 F1= 6.870 F2= 3.365 null null d= 5.7
assi (( resid 121 and name HA
))
(( resid 99 and name HE*
))
4.33 4.01 4.01
! peak number c 1212 F1= 1.753 F2= 0.773 null null d= 3.9
assi (( resid 121 and name HB
))
(( resid 121 and name HD1*
))
2.96 1.90 1.90
! peak number h 709 F1= 0.710 F2= 1.711 null null d= 3.9
assi (( resid 121 and name HB
))
(( resid 121 and name HG1*
))
3.00 1.90 1.90
! peak number c 1213 F1= 1.735 F2= 0.895 null null d= 3.6
assi (( resid 121 and name HB
))
(( resid 121 and name HG2*
))
2.73 1.67 1.67
! peak number c 1218 F1= 7.668 F2= 1.770 null null d= 4.5
assi (( resid 121 and name HB
))
(( resid 121 and name HN
))
3.42 2.48 2.48
! peak number c 1226 F1= 2.368 F2= 1.761 null null d= 4.7
assi (( resid 121 and name HB
))
(( resid 122 and name HD*
))
3.57 2.76 2.76
! peak number h 329 F1= 1.700 F2= 0.590 null null d= 4.9
assi (( resid 121 and name HB
))
(( resid 125 and name HD1*
))
3.77 3.00 3.00
! peak number h 418 F1= 0.845 F2= 1.709 null null d= 3.9
assi (( resid 121 and name HB) or ( resid 105 and name HB*
))
(( resid 121 and name HG2*) or ( resid 105 and name HD1*
))
3.00 1.95 1.95
! peak number c 1219 F1= 7.641 F2= 0.774 null null d= 4.9
assi (( resid 121 and name HD1*
))
(( resid 121 and name HN
))
3.72 3.00 3.00
! peak number c 1227 F1= 2.387 F2= 0.771 null null d= 4.1
assi (( resid 121 and name HD1*
))
(( resid 122 and name HD*
))
3.11 2.10 2.10
! peak number c 404 F1= 0.808 F2= 1.429 null null d= 3.8
assi (( resid 121 and name HD1*
))
(( resid 59 and name HE*
))
2.88 1.80 1.80
! peak number c 711 F1= -0.010 F2= 0.773 null null d= 4.4
assi (( resid 121 and name HD1*
))
(( resid 63 and name HD1*
))
3.34 2.42 2.42
! peak number c 451 F1= 0.798 F2= 3.365 null null d= 5.4
assi (( resid 121 and name HD1*
))
(( resid 99 and name HB1
))
4.10 3.65 3.65
! peak number c 1083 F1= 7.245 F2= 0.775 null null d= 4.1
assi (( resid 121 and name HD1*
))
(( resid 99 and name HD*
))
3.11 2.10 2.10
! peak number h 855 F1= 6.777 F2= 0.734 null null d= 4.9
assi (( resid 121 and name HD1*
))
(( resid 99 and name HE*) or ( resid 117 and name HE*
))
3.77 3.00 3.00
! peak number c 1220 F1= 7.618 F2= 0.743 null null d= 5.0
assi (( resid 121 and name HG1*
))
(( resid 121 and name HN
))
3.80 3.12 3.12
! peak number h 392 F1= 1.065 F2= 0.713 null null d= 4.5
assi (( resid 121 and name HG1*
))
(( resid 126 and name HD2*
))
3.46 2.53 2.53
! peak number c 1084 F1= 7.239 F2= 0.737 null null d= 4.5
assi (( resid 121 and name HG1*
))
(( resid 99 and name HD*
))
3.42 2.53 2.53
! peak number c 1087 F1= 6.837 F2= 0.740 null null d= 4.2
assi (( resid 121 and name HG1*
))
(( resid 99 and name HE*) or ( resid 117 and name HE*
))
3.19 2.21 2.21
! peak number n 191 F1= 0.743 F2= 7.626 null null d= 4.1
assi (( resid 121 and name HG1*) or ( resid 121 and name HD1*
))
(( resid 121 and name HN
))
3.44 2.10 2.10
! peak number c 1221 F1= 7.643 F2= 0.897 null null d= 4.8
assi (( resid 121 and name HG2*
))
(( resid 121 and name HN
))
3.65 2.85 2.85
! peak number c 1228 F1= 2.386 F2= 0.895 null null d= 3.9
assi (( resid 121 and name HG2*
))
(( resid 122 and name HD*
))
2.96 1.90 1.90
! peak number h 300 F1= 3.792 F2= 0.837 null null d= 4.3
assi (( resid 121 and name HG2*
))
(( resid 57 and name HA) or ( resid 100 and name HA
))
3.31 2.31 2.31
! peak number h 343 F1= 1.384 F2= 0.841 null null d= 4.6
assi (( resid 121 and name HG2*
))
(( resid 59 and name HE*
))
3.54 2.64 2.64
! peak number h 1085 F1= 8.306 F2= 0.837 null null d= 5.2
assi (( resid 121 and name HG2*
))
(( resid 59 and name HN
))
4.00 3.38 3.38
! peak number h 445 F1= 0.839 F2= 2.196 null null d= 4.8
assi (( resid 121 and name HG2*
))
(( resid 64 and name HB) or ( resid 62 and name HB2
))
3.69 2.88 2.88
! peak number c 1052 F1= 0.873 F2= 3.960 null null d= 4.0
assi (( resid 121 and name HG2*
))
(( resid 95 and name HA
))
3.04 2.00 2.00
! peak number c 323 F1= 3.883 F2= 0.891 null null d= 3.9
assi (( resid 121 and name HG2*
))
(( resid 99 and name HA
))
2.96 1.90 1.90
! peak number h 624 F1= 0.844 F2= 3.319 null null d= 4.8
assi (( resid 121 and name HG2*
))
(( resid 99 and name HB1) or ( resid 121 and name HA
))
3.69 2.82 2.82
! peak number c 408 F1= 7.268 F2= 0.894 null null d= 4.6
assi (( resid 121 and name HG2*
))
(( resid 99 and name HD*
))
3.49 2.65 2.65
! peak number c 293 F1= 6.850 F2= 0.897 null null d= 5.0
assi (( resid 121 and name HG2*
))
(( resid 99 and name HE*
))
3.80 3.17 3.17
! peak number c 230 F1= 7.669 F2= 0.858 null null d= 5.8
assi (( resid 121 and name HN
))
(( resid 122 and name HB2
))
4.41 4.21 4.21
! peak number h 529 F1= 7.589 F2= 1.379 null null d= 5.3
assi (( resid 121 and name HN) or ( resid 116 and name HD21
))
(( resid 59 and name HE*
))
4.08 3.51 3.51
! peak number c 1224 F1= 2.382 F2= 4.248 null null d= 4.7
assi (( resid 122 and name HA
))
(( resid 122 and name HB1
))
3.57 2.80 2.80
! peak number c 234 F1= 1.632 F2= 4.246 null null d= 4.7
assi (( resid 122 and name HA
))
(( resid 122 and name HG*
))
3.57 2.72 2.72
! peak number c 240 F1= 0.834 F2= 2.352 null null d= 4.6
assi (( resid 122 and name HB1
))
(( resid 122 and name HB2
))
3.49 2.61 2.61
! peak number h 594 F1= 2.335 F2= 1.595 null null d= 4.3
assi (( resid 122 and name HB1
))
(( resid 122 and name HG*
))
3.31 2.37 2.37
! peak number c 1230 F1= 2.380 F2= 0.643 null null d= 4.7
assi (( resid 122 and name HB1
))
(( resid 125 and name HD1*
))
3.57 2.80 2.80
! peak number c 241 F1= 3.963 F2= 2.352 null null d= 5.5
assi (( resid 122 and name HB1
))
(( resid 95 and name HA
))
4.18 3.78 3.78
! peak number h 1405 F1= 6.653 F2= 2.328 null null d= 5.4
assi (( resid 122 and name HB1
))
(( resid 98 and name HD*
))
4.16 3.65 3.65
! peak number h 121 F1= 2.322 F2= 6.851 null null d= 5.7
assi (( resid 122 and name HB1
))
(( resid 98 and name HE*
))
4.39 3.99 3.99
! peak number h 818 F1= 3.314 F2= 2.333 null null d= 4.8
assi (( resid 122 and name HB1
))
(( resid 99 and name HB1) or ( resid 121 and name HA
))
3.69 2.88 2.88
! peak number h 854 F1= 7.189 F2= 2.327 null null d= 6.3
assi (( resid 122 and name HB1
))
(( resid 99 and name HD*) or ( resid 91 and name HD*
))
4.85 4.96 4.96
! peak number h 992 F1= 6.780 F2= 2.326 null null d= 5.1
assi (( resid 122 and name HB1
))
(( resid 99 and name HE*
))
3.93 3.25 3.25
! peak number c 1222 F1= 0.836 F2= 2.404 null null d= 4.8
assi (( resid 122 and name HB2
))
(( resid 122 and name HD*
))
3.65 2.82 2.82
! peak number c 1223 F1= 0.850 F2= 1.639 null null d= 3.9
assi (( resid 122 and name HB2
))
(( resid 122 and name HG*
))
2.96 1.90 1.90
! peak number c 238 F1= 1.782 F2= 0.856 null null d= 5.4
assi (( resid 122 and name HB2
))
(( resid 125 and name HB
))
4.10 3.65 3.65
! peak number h 1011 F1= 0.840 F2= 0.595 null null d= 4.8
assi (( resid 122 and name HB2
))
(( resid 125 and name HD1*
))
3.69 2.88 2.88
! peak number h 147 F1= 0.846 F2= 7.322 null null d= 5.8
assi (( resid 122 and name HB2
))
(( resid 125 and name HN
))
4.46 4.21 4.21
! peak number c 242 F1= 3.969 F2= 0.856 null null d= 5.8
assi (( resid 122 and name HB2
))
(( resid 95 and name HA
))
4.41 4.21 4.21
! peak number c 245 F1= 6.715 F2= 0.852 null null d= 5.6
assi (( resid 122 and name HB2
))
(( resid 98 and name HD*
))
4.25 3.97 3.97
! peak number c 246 F1= 6.854 F2= 0.854 null null d= 5.5
assi (( resid 122 and name HB2
))
(( resid 98 and name HE*
))
4.18 3.83 3.83
! peak number h 444 F1= 0.846 F2= 1.597 null null d= 3.8
assi (( resid 122 and name HB2) or ( resid 105 and name HD1*
))
(( resid 122 and name HG*) or ( resid 105 and name HG
))
2.92 1.80 1.80
! peak number h 332 F1= 1.609 F2= 0.843 null null d= 4.1
assi (( resid 122 and name HB2) or ( resid 105 and name HD1*
))
(( resid 125 and name HG12) or ( resid 105 and name HG
))
3.15 2.10 2.10
! peak number h 915 F1= 2.360 F2= 0.847 null null d= 4.7
assi (( resid 122 and name HB2) or ( resid 121 and name HG2*
))
(( resid 122 and name HD*
))
3.62 2.70 2.70
! peak number h 1126 F1= 1.573 F2= 0.841 null null d= 4.4
assi (( resid 122 and name HB2) or ( resid 121 and name HG2*
))
(( resid 126 and name HB2
))
3.39 2.42 2.42
! peak number h 391 F1= 1.063 F2= 0.843 null null d= 4.4
assi (( resid 122 and name HB2) or ( resid 121 and name HG2*
))
(( resid 126 and name HD2*
))
3.39 2.42 2.42
! peak number h 1145 F1= 1.009 F2= 0.841 null null d= 4.5
assi (( resid 122 and name HB2) or ( resid 121 and name HG2*
))
(( resid 64 and name HG2*) or ( resid 126 and name HD1*
))
3.46 2.53 2.53
! peak number h 504 F1= 0.844 F2= 3.845 null null d= 4.5
assi (( resid 122 and name HB2) or ( resid 121 and name HG2*
))
(( resid 99 and name HA
))
3.46 2.53 2.53
! peak number h 1054 F1= 7.860 F2= 0.845 null null d= 5.2
assi (( resid 122 and name HB2) or ( resid 121 and name HG2*) or ( resid 105 and name HD1*
))
(( resid 99 and name HN) or ( resid 126 and name HN) or ( resid 105 and name HN
))
4.00 3.38 3.38
! peak number c 1232 F1= 1.635 F2= 2.404 null null d= 4.4
assi (( resid 122 and name HD*
))
(( resid 122 and name HG*
))
3.34 2.42 2.42
! peak number c 315 F1= 0.647 F2= 2.403 null null d= 4.9
assi (( resid 122 and name HD*
))
(( resid 125 and name HD1*
))
3.72 3.00 3.00
! peak number h 1406 F1= 6.653 F2= 2.365 null null d= 5.9
assi (( resid 122 and name HD*
))
(( resid 98 and name HD*
))
4.54 4.43 4.43
! peak number h 1413 F1= 6.852 F2= 2.365 null null d= 5.4
assi (( resid 122 and name HD*
))
(( resid 98 and name HE*
))
4.16 3.65 3.65
! peak number h 986 F1= 7.096 F2= 2.354 null null d= 6.0
assi (( resid 122 and name HD*
))
(( resid 98 and name HZ
))
4.62 4.50 4.50
! peak number c 1211 F1= 3.370 F2= 2.404 null null d= 4.7
assi (( resid 122 and name HD*
))
(( resid 99 and name HB1) or ( resid 121 and name HA
))
3.57 2.76 2.76
! peak number c 237 F1= 6.855 F2= 2.404 null null d= 5.7
assi (( resid 122 and name HD*
))
(( resid 99 and name HE*) or ( resid 98 and name HE*
))
4.33 4.06 4.06
! peak number h 1504 F1= 7.865 F2= 2.365 null null d= 5.8
assi (( resid 122 and name HD*) or ( resid 120 and name HG1
))
(( resid 99 and name HN) or ( resid 120 and name HN
))
4.46 4.21 4.21
! peak number c 1229 F1= 2.366 F2= 1.640 null null d= 4.0
assi (( resid 122 and name HD*) or ( resid 122 and name HB1
))
(( resid 122 and name HG*
))
3.04 2.00 2.00
! peak number h 1102 F1= 8.544 F2= 1.584 null null d= 5.1
assi (( resid 122 and name HG*
))
(( resid 94 and name HN
))
3.93 3.25 3.25
! peak number h 1407 F1= 6.649 F2= 1.592 null null d= 5.7
assi (( resid 122 and name HG*
))
(( resid 98 and name HD*
))
4.39 3.99 3.99
! peak number h 1414 F1= 6.852 F2= 1.599 null null d= 5.1
assi (( resid 122 and name HG*
))
(( resid 98 and name HE*
))
3.93 3.25 3.25
! peak number h 1513 F1= 1.595 F2= 7.098 null null d= 6.7
assi (( resid 122 and name HG*
))
(( resid 98 and name HZ
))
5.16 5.61 5.61
! peak number c 64 F1= 3.863 F2= 1.653 null null d= 4.5
assi (( resid 122 and name HG*
))
(( resid 99 and name HA
))
3.42 2.53 2.53
! peak number h 817 F1= 3.315 F2= 1.597 null null d= 5.8
assi (( resid 122 and name HG*
))
(( resid 99 and name HB1) or ( resid 121 and name HA
))
4.46 4.21 4.21
! peak number c 1233 F1= 3.903 F2= 4.182 null null d= 4.3
assi (( resid 124 and name HA
))
(( resid 124 and name HB
))
3.27 2.31 2.31
! peak number c 1234 F1= 3.903 F2= 1.299 null null d= 4.1
assi (( resid 124 and name HA
))
(( resid 124 and name HG2*
))
3.11 2.08 2.08
! peak number h 1005 F1= 7.315 F2= 3.865 null null d= 5.1
assi (( resid 124 and name HA
))
(( resid 125 and name HN
))
3.93 1.27 1.27
! peak number c 1235 F1= 4.162 F2= 1.299 null null d= 4.1
assi (( resid 124 and name HB
))
(( resid 124 and name HG2*
))
3.11 2.10 2.10
! peak number h 1041 F1= 4.129 F2= 0.730 null null d= 5.3
assi (( resid 124 and name HB) or ( resid 118 and name HA
))
(( resid 125 and name HG11) or ( resid 121 and name HD1*
))
4.08 3.51 3.51
! peak number h 467 F1= 1.254 F2= 1.615 null null d= 4.3
assi (( resid 124 and name HG2*
))
(( resid 125 and name HG12
))
3.31 2.31 2.31
! peak number h 958 F1= 7.002 F2= 1.264 null null d= 5.7
assi (( resid 124 and name HG2*
))
(( resid 91 and name HZ
))
4.39 4.06 4.06
! peak number c 205 F1= 1.675 F2= 3.906 null null d= 3.9
assi (( resid 125 and name HA
))
(( resid 125 and name HG12
))
2.96 1.90 1.90
! peak number h 563 F1= 0.736 F2= 3.922 null null d= 4.5
assi (( resid 125 and name HA
))
(( resid 125 and name HG2*) or ( resid 125 and name HG11
))
3.46 2.53 2.53
! peak number c 1243 F1= 7.295 F2= 3.912 null null d= 4.5
assi (( resid 125 and name HA
))
(( resid 125 and name HN
))
3.42 1.14 1.14
! peak number c 204 F1= 3.010 F2= 3.904 null null d= 4.9
assi (( resid 125 and name HA) or ( resid 124 and name HA
))
(( resid 94 and name HE*) or ( resid 127 and name HE*
))
3.72 3.00 3.00
! peak number c 1214 F1= 0.781 F2= 1.767 null null d= 3.9
assi (( resid 125 and name HB
))
(( resid 125 and name HG2*) or ( resid 125 and name HG11
))
2.96 1.90 1.90
! peak number c 1244 F1= 7.310 F2= 1.769 null null d= 4.3
assi (( resid 125 and name HB
))
(( resid 125 and name HN
))
3.27 2.37 2.37
! peak number h 770 F1= 7.098 F2= 1.711 null null d= 6.0
assi (( resid 125 and name HB
))
(( resid 98 and name HZ
))
4.62 4.50 4.50
! peak number h 389 F1= 0.733 F2= 0.594 null null d= 3.8
assi (( resid 125 and name HD1*
))
(( resid 125 and name HG11
))
2.92 1.76 1.76
! peak number c 69 F1= 1.662 F2= 0.640 null null d= 4.1
assi (( resid 125 and name HD1*
))
(( resid 125 and name HG12
))
3.11 2.10 2.10
! peak number c 1245 F1= 7.331 F2= 0.639 null null d= 5.2
assi (( resid 125 and name HD1*
))
(( resid 125 and name HN
))
3.95 3.38 3.38
! peak number c 1256 F1= 7.888 F2= 0.636 null null d= 5.8
assi (( resid 125 and name HD1*
))
(( resid 126 and name HN
))
4.41 4.28 4.28
! peak number c 1262 F1= 8.116 F2= 0.635 null null d= 5.2
assi (( resid 125 and name HD1*
))
(( resid 127 and name HN
))
3.95 3.38 3.38
! peak number h 565 F1= 0.587 F2= 3.866 null null d= 4.9
assi (( resid 125 and name HD1*
))
(( resid 91 and name HA) or ( resid 124 and name HA
))
3.77 3.00 3.00
! peak number c 1050 F1= 3.954 F2= 0.638 null null d= 4.7
assi (( resid 125 and name HD1*
))
(( resid 95 and name HA) or ( resid 125 and name HA
))
3.57 2.70 2.70
! peak number h 385 F1= 0.866 F2= 0.595 null null d= 4.9
assi (( resid 125 and name HD1*
))
(( resid 95 and name HB*
))
3.77 3.00 3.00
! peak number c 1071 F1= 3.327 F2= 0.642 null null d= 4.7
assi (( resid 125 and name HD1*
))
(( resid 98 and name HB1
))
3.57 2.76 2.76
! peak number c 1069 F1= 3.082 F2= 0.639 null null d= 4.9
assi (( resid 125 and name HD1*
))
(( resid 98 and name HB2
))
3.72 3.06 3.06
! peak number c 1072 F1= 6.714 F2= 0.639 null null d= 5.3
assi (( resid 125 and name HD1*
))
(( resid 98 and name HD*
))
4.03 3.51 3.51
! peak number c 1073 F1= 6.848 F2= 0.637 null null d= 5.2
assi (( resid 125 and name HD1*
))
(( resid 98 and name HE*
))
3.95 3.38 3.38
! peak number h 1421 F1= 7.982 F2= 0.590 null null d= 6.1
assi (( resid 125 and name HD1*
))
(( resid 98 and name HN
))
4.70 4.65 4.65
! peak number c 62 F1= 0.767 F2= 1.651 null null d= 4.2
assi (( resid 125 and name HG11
))
(( resid 125 and name HG12
))
3.19 2.15 2.15
! peak number h 129 F1= 0.722 F2= 7.322 null null d= 4.4
assi (( resid 125 and name HG11
))
(( resid 125 and name HN
))
3.39 2.42 2.42
! peak number c 67 F1= 3.955 F2= 0.792 null null d= 5.0
assi (( resid 125 and name HG11
))
(( resid 95 and name HA
))
3.80 3.12 3.12
! peak number n 533 F1= 0.784 F2= 8.017 null null d= 4.1
assi (( resid 125 and name HG11
))
(( resid 98 and name HN
))
3.44 2.10 2.10
! peak number h 1056 F1= 7.854 F2= 0.738 null null d= 5.3
assi (( resid 125 and name HG11) or ( resid 121 and name HD1*
))
(( resid 126 and name HN) or ( resid 120 and name HN
))
4.08 3.51 3.51
! peak number n 300 F1= 1.625 F2= 7.342 null null d= 3.8
assi (( resid 125 and name HG12
))
(( resid 125 and name HN
))
3.18 1.80 1.80
! peak number h 634 F1= 1.609 F2= 3.868 null null d= 4.7
assi (( resid 125 and name HG12
))
(( resid 91 and name HA) or ( resid 124 and name HA
))
3.62 2.76 2.76
! peak number h 865 F1= 2.292 F2= 1.618 null null d= 5.8
assi (( resid 125 and name HG12
))
(( resid 97 and name HG1
))
4.46 4.21 4.21
! peak number h 202 F1= 3.866 F2= 1.607 null null d= 4.5
assi (( resid 125 and name HG12) or ( resid 105 and name HG
))
(( resid 91 and name HA) or ( resid 104 and name HA1
))
3.46 2.53 2.53
! peak number c 134 F1= 1.629 F2= 3.963 null null d= 5.3
assi (( resid 125 and name HG12) or ( resid 122 and name HG*
))
(( resid 95 and name HA
))
4.03 3.51 3.51
! peak number h 1512 F1= 1.599 F2= 6.849 null null d= 5.5
assi (( resid 125 and name HG12) or ( resid 122 and name HG*
))
(( resid 98 and name HE*
))
4.23 3.78 3.78
! peak number c 317 F1= 7.897 F2= 0.782 null null d= 4.6
assi (( resid 125 and name HG2*
))
(( resid 128 and name HN) or ( resid 126 and name HN
))
3.49 2.64 2.64
! peak number c 1009 F1= 0.818 F2= 1.679 null null d= 3.8
assi (( resid 125 and name HG2*
))
(( resid 90 and name HG12
))
2.88 1.80 1.80
! peak number h 881 F1= 0.732 F2= 3.862 null null d= 4.2
assi (( resid 125 and name HG2*
))
(( resid 91 and name HA
))
3.23 2.21 2.21
! peak number c 1239 F1= 3.930 F2= 0.784 null null d= 3.9
assi (( resid 125 and name HG2*
))
(( resid 91 and name HA) or ( resid 125 and name HA
))
2.96 1.90 1.90
! peak number h 130 F1= 0.718 F2= 7.182 null null d= 4.4
assi (( resid 125 and name HG2*
))
(( resid 91 and name HD*
))
3.39 2.42 2.42
! peak number c 316 F1= 7.300 F2= 0.784 null null d= 3.9
assi (( resid 125 and name HG2*
))
(( resid 91 and name HD*) or ( resid 125 and name HN
))
2.96 1.90 1.90
! peak number h 951 F1= 7.076 F2= 0.722 null null d= 4.8
assi (( resid 125 and name HG2*
))
(( resid 91 and name HE*
))
3.69 2.88 2.88
! peak number h 976 F1= 7.392 F2= 0.722 null null d= 5.2
assi (( resid 125 and name HG2*
))
(( resid 91 and name HN
))
4.00 3.38 3.38
! peak number c 1242 F1= 1.660 F2= 0.784 null null d= 3.5
assi (( resid 125 and name HG2*
))
(( resid 94 and name HB2) or ( resid 125 and name HG12
))
2.66 1.53 1.53
! peak number h 131 F1= 0.721 F2= 7.074 null null d= 4.8
assi (( resid 125 and name HG2*) or ( resid 121 and name HG1*
))
(( resid 91 and name HE*
))
3.69 2.88 2.88
! peak number h 128 F1= 0.722 F2= 7.387 null null d= 5.3
assi (( resid 125 and name HG2*) or ( resid 121 and name HG1*
))
(( resid 91 and name HN) or ( resid 117 and name HN
))
4.08 3.51 3.51
! peak number h 1021 F1= 8.813 F2= 0.720 null null d= 5.0
assi (( resid 125 and name HG2*) or ( resid 125 and name HG11
))
(( resid 95 and name HN
))
3.85 3.12 3.12
! peak number h 318 F1= 4.049 F2= 7.320 null null d= 5.8
assi (( resid 125 and name HN
))
(( resid 126 and name HA
))
4.46 1.45 1.45
! peak number c 1247 F1= 7.302 F2= 1.776 null null d= 5.3
assi (( resid 125 and name HN
))
(( resid 126 and name HB1
))
4.03 3.51 3.51
! peak number c 1246 F1= 7.350 F2= 1.608 null null d= 5.3
assi (( resid 125 and name HN
))
(( resid 126 and name HB2
))
4.03 3.51 3.51
! peak number h 95 F1= 1.067 F2= 7.320 null null d= 5.8
assi (( resid 125 and name HN
))
(( resid 126 and name HD2*
))
4.46 4.21 4.21
! peak number c 1249 F1= 4.092 F2= 1.776 null null d= 4.4
assi (( resid 126 and name HA
))
(( resid 126 and name HB1
))
3.34 2.42 2.42
! peak number c 1248 F1= 4.099 F2= 1.608 null null d= 4.2
assi (( resid 126 and name HA
))
(( resid 126 and name HB2
))
3.19 2.21 2.21
! peak number c 1250 F1= 4.092 F2= 1.058 null null d= 4.0
assi (( resid 126 and name HA
))
(( resid 126 and name HD1*
))
3.04 2.00 2.00
! peak number c 1251 F1= 4.119 F2= 1.115 null null d= 4.1
assi (( resid 126 and name HA
))
(( resid 126 and name HD2*
))
3.11 2.15 2.15
! peak number c 223 F1= 1.598 F2= 4.102 null null d= 4.0
assi (( resid 126 and name HA
))
(( resid 126 and name HG) or ( resid 126 and name HB2
))
3.04 1.95 1.95
! peak number c 224 F1= 1.737 F2= 4.099 null null d= 3.7
assi (( resid 126 and name HA
))
(( resid 129 and name HB1) or ( resid 126 and name HB1
))
2.81 1.71 1.71
! peak number c 76 F1= 4.132 F2= 1.055 null null d= 4.1
assi (( resid 126 and name HA
))
(( resid 129 and name HG
))
3.11 2.10 2.10
! peak number c 225 F1= 7.232 F2= 4.096 null null d= 4.6
assi (( resid 126 and name HA
))
(( resid 91 and name HD*
))
3.49 2.64 2.64
! peak number h 778 F1= 7.072 F2= 4.053 null null d= 5.8
assi (( resid 126 and name HA
))
(( resid 91 and name HE*
))
4.46 4.21 4.21
! peak number h 288 F1= 4.057 F2= 6.999 null null d= 4.8
assi (( resid 126 and name HA
))
(( resid 91 and name HZ
))
3.69 2.94 2.94
! peak number c 428 F1= 1.059 F2= 1.781 null null d= 4.4
assi (( resid 126 and name HB1
))
(( resid 126 and name HD1*
))
3.34 2.42 2.42
! peak number h 357 F1= 1.726 F2= 1.065 null null d= 4.9
assi (( resid 126 and name HB1
))
(( resid 126 and name HD2*
))
3.77 3.00 3.00
! peak number c 71 F1= 7.898 F2= 1.783 null null d= 4.6
assi (( resid 126 and name HB1
))
(( resid 126 and name HN
))
3.49 2.64 2.64
! peak number h 67 F1= 1.737 F2= 8.086 null null d= 5.2
assi (( resid 126 and name HB1
))
(( resid 127 and name HN
))
4.00 3.38 3.38
! peak number c 1142 F1= 1.750 F2= 1.617 null null d= 2.5
assi (( resid 126 and name HB1) or ( resid 108 and name HB2) or ( resid 105 and name HB2
))
(( resid 126 and name HG) or ( resid 108 and name HG*) or ( resid 105 and name HG
))
1.90 0.78 0.78
! peak number c 70 F1= 1.064 F2= 1.620 null null d= 4.0
assi (( resid 126 and name HB2
))
(( resid 126 and name HD1*
))
3.04 2.03 2.03
! peak number h 327 F1= 1.572 F2= 1.068 null null d= 4.2
assi (( resid 126 and name HB2
))
(( resid 126 and name HD2*
))
3.23 2.21 2.21
! peak number c 325 F1= 7.915 F2= 1.604 null null d= 5.1
assi (( resid 126 and name HB2
))
(( resid 126 and name HN
))
3.87 3.25 3.25
! peak number h 536 F1= 1.581 F2= 7.607 null null d= 5.6
assi (( resid 126 and name HB2
))
(( resid 129 and name HN) or ( resid 121 and name HN
))
4.31 3.92 3.92
! peak number c 1253 F1= 1.597 F2= 1.054 null null d= 3.6
assi (( resid 126 and name HD1*
))
(( resid 126 and name HG) or ( resid 126 and name HB2
))
2.73 1.62 1.62
! peak number c 59 F1= 7.868 F2= 1.058 null null d= 5.0
assi (( resid 126 and name HD1*
))
(( resid 128 and name HN) or ( resid 126 and name HN
))
3.80 3.12 3.12
! peak number c 1254 F1= 1.760 F2= 1.057 null null d= 3.7
assi (( resid 126 and name HD1*
))
(( resid 129 and name HB1) or ( resid 126 and name HB1
))
2.81 1.71 1.71
! peak number h 101 F1= 1.008 F2= 7.018 null null d= 5.5
assi (( resid 126 and name HD1*
))
(( resid 66 and name HZ
))
4.23 3.71 3.71
! peak number c 65 F1= 7.273 F2= 1.055 null null d= 4.6
assi (( resid 126 and name HD1*
))
(( resid 91 and name HD*) or ( resid 66 and name HE*
))
3.49 2.64 2.64
! peak number h 1057 F1= 7.856 F2= 1.065 null null d= 5.6
assi (( resid 126 and name HD2*
))
(( resid 126 and name HN
))
4.31 3.92 3.92
! peak number c 1255 F1= 1.700 F2= 1.117 null null d= 4.1
assi (( resid 126 and name HD2*
))
(( resid 129 and name HB1
))
3.11 2.10 2.10
! peak number c 61 F1= 0.088 F2= 1.116 null null d= 4.8
assi (( resid 126 and name HD2*
))
(( resid 129 and name HD1*
))
3.65 2.84 2.84
! peak number h 1539 F1= 0.354 F2= 1.062 null null d= 5.9
assi (( resid 126 and name HD2*
))
(( resid 129 and name HD2*
))
4.54 4.35 4.35
! peak number h 122 F1= 1.065 F2= 7.609 null null d= 5.9
assi (( resid 126 and name HD2*
))
(( resid 129 and name HN) or ( resid 121 and name HN
))
4.54 4.35 4.35
! peak number c 441 F1= 7.848 F2= 1.115 null null d= 4.7
assi (( resid 126 and name HD2*
))
(( resid 130 and name HD22) or ( resid 126 and name HN
))
3.57 2.76 2.76
! peak number c 60 F1= 2.156 F2= 1.116 null null d= 4.1
assi (( resid 126 and name HD2*
))
(( resid 63 and name HB2) or ( resid 117 and name HB1
))
3.11 2.10 2.10
! peak number h 96 F1= 1.065 F2= 7.387 null null d= 5.2
assi (( resid 126 and name HD2*
))
(( resid 66 and name HD*
))
4.00 3.38 3.38
! peak number h 1175 F1= 1.065 F2= 7.208 null null d= 4.2
assi (( resid 126 and name HD2*
))
(( resid 66 and name HE*
))
3.23 2.15 2.15
! peak number h 955 F1= 7.024 F2= 1.067 null null d= 4.8
assi (( resid 126 and name HD2*
))
(( resid 66 and name HZ
))
3.69 2.82 2.82
! peak number c 1252 F1= 1.543 F2= 1.115 null null d= 3.6
assi (( resid 126 and name HD2*
))
(( resid 67 and name HB*
))
2.73 1.62 1.62
! peak number h 1172 F1= 7.192 F2= 1.067 null null d= 4.1
assi (( resid 126 and name HD2*
))
(( resid 91 and name HD*
))
3.15 2.10 2.10
! peak number c 435 F1= 7.242 F2= 1.117 null null d= 3.5
assi (( resid 126 and name HD2*
))
(( resid 91 and name HD*) or ( resid 66 and name HE*
))
2.66 1.53 1.53
! peak number h 93 F1= 1.065 F2= 7.076 null null d= 5.2
assi (( resid 126 and name HD2*
))
(( resid 91 and name HE*
))
4.00 3.45 3.45
! peak number c 448 F1= 7.057 F2= 1.114 null null d= 4.0
assi (( resid 126 and name HD2*
))
(( resid 91 and name HZ
))
3.04 2.00 2.00
! peak number h 64 F1= 1.585 F2= 8.094 null null d= 5.7
assi (( resid 126 and name HG
))
(( resid 127 and name HN
))
4.39 4.06 4.06
! peak number h 1530 F1= 0.064 F2= 1.598 null null d= 5.2
assi (( resid 126 and name HG
))
(( resid 129 and name HD1*
))
4.00 3.38 3.38
! peak number h 830 F1= 7.386 F2= 1.594 null null d= 5.9
assi (( resid 126 and name HG
))
(( resid 66 and name HD*
))
4.54 4.35 4.35
! peak number h 1178 F1= 7.222 F2= 1.599 null null d= 5.3
assi (( resid 126 and name HG
))
(( resid 66 and name HE*
))
4.08 3.51 3.51
! peak number n 174 F1= 1.586 F2= 7.812 null null d= 4.3
assi (( resid 126 and name HG) or ( resid 126 and name HB2
))
(( resid 130 and name HD22
))
3.60 2.31 2.31
! peak number c 1257 F1= 4.078 F2= 1.876 null null d= 4.0
assi (( resid 127 and name HA
))
(( resid 127 and name HB1
))
3.04 2.00 2.00
! peak number c 72 F1= 4.086 F2= 1.934 null null d= 3.9
assi (( resid 127 and name HA
))
(( resid 127 and name HB2
))
2.96 1.90 1.90
! peak number n 78 F1= 4.029 F2= 7.195 null null d= 4.5
assi (( resid 127 and name HA
))
(( resid 130 and name HD21
))
3.77 2.53 2.53
! peak number n 77 F1= 4.030 F2= 7.810 null null d= 4.3
assi (( resid 127 and name HA
))
(( resid 130 and name HD22
))
3.60 2.31 2.31
! peak number n 218 F1= 4.050 F2= 7.561 null null d= 3.9
assi (( resid 127 and name HA
))
(( resid 130 and name HN
))
3.27 0.97 0.97
! peak number c 1263 F1= 8.128 F2= 1.874 null null d= 4.8
assi (( resid 127 and name HB1
))
(( resid 127 and name HN
))
3.65 2.92 2.92
! peak number h 828 F1= 7.849 F2= 1.830 null null d= 5.6
assi (( resid 127 and name HB1
))
(( resid 128 and name HN
))
4.31 3.92 3.92
! peak number c 82 F1= 2.982 F2= 1.934 null null d= 4.9
assi (( resid 127 and name HB2
))
(( resid 127 and name HE*
))
3.72 3.00 3.00
! peak number c 80 F1= 8.124 F2= 1.939 null null d= 4.6
assi (( resid 127 and name HB2
))
(( resid 127 and name HN
))
3.49 2.64 2.64
! peak number h 1193 F1= 7.850 F2= 1.882 null null d= 5.6
assi (( resid 127 and name HB2
))
(( resid 128 and name HN
))
4.31 3.92 3.92
! peak number n 176 F1= 1.901 F2= 7.191 null null d= 4.6
assi (( resid 127 and name HB2
))
(( resid 130 and name HD21
))
3.86 2.64 2.64
! peak number c 1259 F1= 1.890 F2= 1.556 null null d= 3.7
assi (( resid 127 and name HB2) or ( resid 127 and name HB1
))
(( resid 127 and name HG*
))
2.81 1.71 1.71
! peak number n 175 F1= 1.868 F2= 7.812 null null d= 4.4
assi (( resid 127 and name HB2) or ( resid 127 and name HB1
))
(( resid 130 and name HD22
))
3.69 2.42 2.42
! peak number c 1260 F1= 2.959 F2= 1.733 null null d= 3.9
assi (( resid 127 and name HD*
))
(( resid 127 and name HE*
))
2.96 1.90 1.90
! peak number h 63 F1= 1.710 F2= 8.088 null null d= 5.2
assi (( resid 127 and name HD*) or ( resid 125 and name HB
))
(( resid 127 and name HN
))
4.00 3.38 3.38
! peak number c 1264 F1= 8.122 F2= 1.554 null null d= 5.4
assi (( resid 127 and name HG*
))
(( resid 127 and name HN
))
4.10 3.65 3.65
! peak number n 73 F1= 1.570 F2= 7.189 null null d= 4.3
assi (( resid 127 and name HG*) or ( resid 126 and name HG) or ( resid 126 and name HB2
))
(( resid 130 and name HD21
))
3.60 2.31 2.31
! peak number h 713 F1= 7.856 F2= 8.092 null null d= 4.8
assi (( resid 127 and name HN
))
(( resid 128 and name HN) or ( resid 126 and name HN
))
3.69 2.88 2.88
! peak number h 16 F1= 1.369 F2= 8.082 null null d= 5.7
assi (( resid 127 and name HN
))
(( resid 129 and name HB2
))
4.39 4.06 4.06
! peak number h 71 F1= 1.784 F2= 8.086 null null d= 5.4
assi (( resid 127 and name HN
))
(( resid 131 and name HG2
))
4.16 3.65 3.65
! peak number h 1522 F1= 4.139 F2= 2.182 null null d= 4.9
assi (( resid 128 and name HA
))
(( resid 128 and name HB1
))
3.77 3.00 3.00
! peak number h 1523 F1= 4.139 F2= 2.221 null null d= 4.8
assi (( resid 128 and name HA
))
(( resid 128 and name HB2
))
3.69 2.88 2.88
! peak number c 226 F1= 2.231 F2= 4.194 null null d= 4.3
assi (( resid 128 and name HA
))
(( resid 128 and name HB*
))
3.27 2.31 2.31
! peak number c 364 F1= 7.871 F2= 4.192 null null d= 4.8
assi (( resid 128 and name HA
))
(( resid 128 and name HN
))
3.65 1.20 1.20
! peak number h 195 F1= 4.129 F2= 1.718 null null d= 4.8
assi (( resid 128 and name HA
))
(( resid 131 and name HG1
))
3.69 2.82 2.82
! peak number h 642 F1= 1.778 F2= 4.133 null null d= 4.8
assi (( resid 128 and name HA
))
(( resid 131 and name HG2
))
3.69 2.88 2.88
! peak number h 234 F1= 4.137 F2= 1.364 null null d= 5.6
assi (( resid 128 and name HA) or ( resid 101 and name HA
))
(( resid 129 and name HB2) or ( resid 103 and name HB*
))
4.31 3.92 3.92
! peak number h 1524 F1= 7.850 F2= 2.186 null null d= 5.0
assi (( resid 128 and name HB1
))
(( resid 128 and name HN
))
3.85 3.12 3.12
! peak number c 379 F1= 2.280 F2= 0.404 null null d= 4.8
assi (( resid 128 and name HB*
))
(( resid 129 and name HD2*
))
3.65 2.88 2.88
! peak number n 217 F1= 2.227 F2= 7.563 null null d= 4.4
assi (( resid 128 and name HB*
))
(( resid 130 and name HN
))
3.69 2.42 2.42
! peak number h 866 F1= 2.217 F2= 1.622 null null d= 5.3
assi (( resid 128 and name HB2
))
(( resid 90 and name HG12
))
4.08 3.51 3.51
! peak number h 908 F1= 3.863 F2= 2.222 null null d= 5.5
assi (( resid 128 and name HB2
))
(( resid 91 and name HA
))
4.23 3.78 3.78
! peak number h 1525 F1= 7.852 F2= 2.223 null null d= 5.1
assi (( resid 128 and name HB2) or ( resid 120 and name HB2
))
(( resid 128 and name HN) or ( resid 120 and name HN
))
3.93 3.25 3.25
! peak number c 83 F1= 7.279 F2= 2.227 null null d= 4.7
assi (( resid 128 and name HB*
))
(( resid 91 and name HD*
))
3.57 2.76 2.76
! peak number h 715 F1= 7.606 F2= 7.856 null null d= 4.7
assi (( resid 128 and name HN
))
(( resid 129 and name HN
))
3.62 1.18 1.18
! peak number h 717 F1= 7.528 F2= 7.843 null null d= 4.8
assi (( resid 128 and name HN
))
(( resid 130 and name HN
))
3.69 1.21 1.21
! peak number h 79 F1= 1.784 F2= 7.849 null null d= 5.2
assi (( resid 128 and name HN
))
(( resid 131 and name HG2
))
4.00 3.38 3.38
! peak number h 1061 F1= 7.860 F2= 1.373 null null d= 5.3
assi (( resid 128 and name HN) or ( resid 126 and name HN
))
(( resid 129 and name HB2
))
4.08 3.51 3.51
! peak number c 1266 F1= 4.258 F2= 1.723 null null d= 4.7
assi (( resid 129 and name HA
))
(( resid 129 and name HB1
))
3.57 2.76 2.76
! peak number c 382 F1= 0.104 F2= 4.293 null null d= 5.7
assi (( resid 129 and name HA
))
(( resid 129 and name HD1*
))
4.33 4.11 4.11
! peak number c 383 F1= 0.412 F2= 4.291 null null d= 4.6
assi (( resid 129 and name HA
))
(( resid 129 and name HD2*
))
3.49 2.68 2.68
! peak number c 384 F1= 1.053 F2= 4.293 null null d= 5.1
assi (( resid 129 and name HA
))
(( resid 129 and name HG
))
3.87 3.25 3.25
! peak number h 739 F1= 7.606 F2= 4.233 null null d= 4.7
assi (( resid 129 and name HA
))
(( resid 129 and name HN
))
3.62 1.18 1.18
! peak number h 291 F1= 4.244 F2= 7.094 null null d= 4.6
assi (( resid 129 and name HA
))
(( resid 132 and name HD*
))
3.54 2.64 2.64
! peak number c 1265 F1= 4.257 F2= 1.512 null null d= 5.7
assi (( resid 129 and name HA
))
(( resid 67 and name HB*
))
4.33 4.06 4.06
! peak number c 10 F1= 4.315 F2= -0.016 null null d= 4.8
assi (( resid 129 and name HA
))
(( resid 88 and name HG1*
))
3.65 2.88 2.88
! peak number h 793 F1= 6.788 F2= 4.231 null null d= 4.8
assi (( resid 129 and name HA
))
(( resid 88 and name HN) or ( resid 132 and name HE*
))
3.69 2.88 2.88
! peak number c 1272 F1= 1.702 F2= 0.116 null null d= 4.8
assi (( resid 129 and name HB1
))
(( resid 129 and name HD1*
))
3.65 2.85 2.85
! peak number c 1273 F1= 1.714 F2= 0.403 null null d= 5.0
assi (( resid 129 and name HB1
))
(( resid 129 and name HD2*
))
3.80 3.16 3.16
! peak number c 75 F1= 1.046 F2= 1.717 null null d= 4.3
assi (( resid 129 and name HB1
))
(( resid 129 and name HG
))
3.27 2.31 2.31
! peak number c 1290 F1= 7.635 F2= 1.726 null null d= 4.8
assi (( resid 129 and name HB1
))
(( resid 129 and name HN
))
3.65 2.88 2.88
! peak number h 344 F1= 1.650 F2= 1.001 null null d= 4.8
assi (( resid 129 and name HB1
))
(( resid 64 and name HG2*) or ( resid 126 and name HD1*
))
3.69 2.88 2.88
! peak number h 1173 F1= 7.014 F2= 1.647 null null d= 4.5
assi (( resid 129 and name HB1
))
(( resid 91 and name HZ
))
3.46 2.53 2.53
! peak number c 373 F1= 1.740 F2= 3.118 null null d= 5.8
assi (( resid 129 and name HB1) or ( resid 127 and name HD*
))
(( resid 130 and name HB2
))
4.41 4.21 4.21
! peak number c 1270 F1= 1.410 F2= 0.115 null null d= 4.9
assi (( resid 129 and name HB2
))
(( resid 129 and name HD1*
))
3.72 2.97 2.97
! peak number c 1271 F1= 1.405 F2= 0.403 null null d= 5.0
assi (( resid 129 and name HB2
))
(( resid 129 and name HD2*
))
3.80 3.12 3.12
! peak number c 1289 F1= 7.629 F2= 1.394 null null d= 5.2
assi (( resid 129 and name HB2
))
(( resid 129 and name HN
))
3.95 3.32 3.32
! peak number n 171 F1= 1.370 F2= 7.563 null null d= 4.4
assi (( resid 129 and name HB2
))
(( resid 130 and name HN
))
3.69 2.42 2.42
! peak number c 319 F1= 1.368 F2= 0.750 null null d= 3.9
assi (( resid 129 and name HB2
))
(( resid 63 and name HD2*
))
2.96 1.90 1.90
! peak number c 74 F1= 0.999 F2= 1.397 null null d= 4.9
assi (( resid 129 and name HB2
))
(( resid 64 and name HG1*
))
3.72 3.00 3.00
! peak number h 1224 F1= 7.064 F2= 1.374 null null d= 5.6
assi (( resid 129 and name HB2
))
(( resid 91 and name HE*
))
4.31 3.92 3.92
! peak number c 1279 F1= 0.096 F2= 0.404 null null d= 4.0
assi (( resid 129 and name HD1*
))
(( resid 129 and name HD2*
))
3.04 1.97 1.97
! peak number c 1280 F1= 0.119 F2= 1.047 null null d= 4.6
assi (( resid 129 and name HD1*
))
(( resid 129 and name HG
))
3.49 2.70 2.70
! peak number n 129 F1= 0.095 F2= 7.645 null null d= 5.1
assi (( resid 129 and name HD1*
))
(( resid 129 and name HN
))
4.27 3.25 3.25
! peak number c 1268 F1= 4.284 F2= 0.111 null null d= 5.1
assi (( resid 129 and name HD1*
))
(( resid 130 and name HA) or ( resid 129 and name HA
))
3.87 3.25 3.25
! peak number c 1292 F1= 7.636 F2= 0.113 null null d= 4.9
assi (( resid 129 and name HD1*
))
(( resid 130 and name HN) or ( resid 129 and name HN
))
3.72 3.00 3.00
! peak number h 82 F1= 0.067 F2= 7.108 null null d= 5.6
assi (( resid 129 and name HD1*
))
(( resid 132 and name HD*
))
4.31 3.92 3.92
! peak number h 1544 F1= 7.611 F2= 0.064 null null d= 5.6
assi (( resid 129 and name HD1*
))
(( resid 132 and name HN) or ( resid 129 and name HN
))
4.31 3.92 3.92
! peak number h 1280 F1= 7.389 F2= 0.065 null null d= 5.5
assi (( resid 129 and name HD1*
))
(( resid 66 and name HD*
))
4.23 3.78 3.78
! peak number c 1274 F1= 0.106 F2= 3.508 null null d= 5.0
assi (( resid 129 and name HD1*
))
(( resid 67 and name HA
))
3.80 3.12 3.12
! peak number h 1527 F1= 0.064 F2= 3.476 null null d= 5.0
assi (( resid 129 and name HD1*
))
(( resid 67 and name HA) or ( resid 64 and name HA
))
3.85 3.12 3.12
! peak number c 776 F1= 3.515 F2= 0.110 null null d= 4.8
assi (( resid 129 and name HD1*
))
(( resid 67 and name HA) or ( resid 64 and name HA) or ( resid 132 and name HB1
))
3.65 2.88 2.88
! peak number c 1275 F1= 0.109 F2= 1.515 null null d= 4.8
assi (( resid 129 and name HD1*
))
(( resid 67 and name HB*
))
3.65 2.91 2.91
! peak number c 229 F1= 4.120 F2= 0.111 null null d= 5.4
assi (( resid 129 and name HD1*
))
(( resid 68 and name HA
))
4.10 3.71 3.71
! peak number c 1276 F1= 0.112 F2= 1.311 null null d= 5.6
assi (( resid 129 and name HD1*
))
(( resid 70 and name HB*
))
4.25 3.92 3.92
! peak number c 1277 F1= 0.096 F2= 1.575 null null d= 5.7
assi (( resid 129 and name HD1*
))
(( resid 70 and name HG1
))
4.33 4.06 4.06
! peak number c 1278 F1= 0.077 F2= 1.665 null null d= 5.8
assi (( resid 129 and name HD1*
))
(( resid 70 and name HG2
))
4.41 4.21 4.21
! peak number h 28 F1= 0.067 F2= 7.196 null null d= 4.8
assi (( resid 129 and name HD1*
))
(( resid 91 and name HD*
))
3.69 2.88 2.88
! peak number h 1284 F1= 7.201 F2= 0.063 null null d= 4.9
assi (( resid 129 and name HD1*
))
(( resid 91 and name HD*) or ( resid 66 and name HE*
))
3.77 3.00 3.00
! peak number c 765 F1= 7.258 F2= 0.116 null null d= 4.4
assi (( resid 129 and name HD1*
))
(( resid 91 and name HD*) or ( resid 66 and name HE*) or ( resid 133 and name HN
))
3.34 2.42 2.42
! peak number h 1368 F1= 7.082 F2= 0.067 null null d= 5.7
assi (( resid 129 and name HD1*
))
(( resid 91 and name HE*
))
4.39 4.06 4.06
! peak number h 1372 F1= 7.008 F2= 0.062 null null d= 6.4
assi (( resid 129 and name HD1*
))
(( resid 91 and name HZ
))
4.93 5.12 5.12
! peak number c 1285 F1= 0.410 F2= 1.049 null null d= 4.7
assi (( resid 129 and name HD2*
))
(( resid 129 and name HG
))
3.57 2.79 2.79
! peak number n 133 F1= 0.389 F2= 7.645 null null d= 4.7
assi (( resid 129 and name HD2*
))
(( resid 129 and name HN
))
3.94 2.76 2.76
! peak number c 1269 F1= 4.296 F2= 0.404 null null d= 4.2
assi (( resid 129 and name HD2*
))
(( resid 130 and name HA) or ( resid 129 and name HA
))
3.19 2.21 2.21
! peak number n 252 F1= 0.403 F2= 7.563 null null d= 4.4
assi (( resid 129 and name HD2*
))
(( resid 130 and name HN
))
3.69 2.42 2.42
! peak number c 1291 F1= 7.620 F2= 0.404 null null d= 4.8
assi (( resid 129 and name HD2*
))
(( resid 130 and name HN) or ( resid 129 and name HN
))
3.65 2.88 2.88
! peak number h 135 F1= 0.357 F2= 7.100 null null d= 5.0
assi (( resid 129 and name HD2*
))
(( resid 132 and name HD*
))
3.85 3.06 3.06
! peak number h 1562 F1= 6.796 F2= 0.356 null null d= 5.7
assi (( resid 129 and name HD2*
))
(( resid 132 and name HE*
))
4.39 4.06 4.06
! peak number h 137 F1= 0.357 F2= 7.605 null null d= 5.5
assi (( resid 129 and name HD2*
))
(( resid 132 and name HN) or ( resid 129 and name HN
))
4.23 3.78 3.78
! peak number c 777 F1= 3.530 F2= 0.404 null null d= 4.4
assi (( resid 129 and name HD2*
))
(( resid 64 and name HA
))
3.34 2.42 2.42
! peak number h 1281 F1= 7.391 F2= 0.360 null null d= 6.0
assi (( resid 129 and name HD2*
))
(( resid 66 and name HD*
))
4.62 4.58 4.58
! peak number c 1281 F1= 0.400 F2= 3.508 null null d= 5.8
assi (( resid 129 and name HD2*
))
(( resid 67 and name HA
))
4.41 4.21 4.21
! peak number c 1282 F1= 0.412 F2= 1.512 null null d= 4.4
assi (( resid 129 and name HD2*
))
(( resid 67 and name HB*
))
3.34 2.42 2.42
! peak number h 432 F1= 0.486 F2= 0.356 null null d= 4.7
assi (( resid 129 and name HD2*
))
(( resid 88 and name HG2*
))
3.62 2.76 2.76
! peak number h 1537 F1= 0.358 F2= 3.865 null null d= 6.0
assi (( resid 129 and name HD2*
))
(( resid 91 and name HA
))
4.62 4.50 4.50
! peak number c 380 F1= 3.044 F2= 0.409 null null d= 5.2
assi (( resid 129 and name HD2*
))
(( resid 91 and name HB2) or ( resid 68 and name HE*
))
3.95 3.38 3.38
! peak number h 134 F1= 0.357 F2= 7.199 null null d= 5.7
assi (( resid 129 and name HD2*
))
(( resid 91 and name HD*
))
4.39 4.06 4.06
! peak number h 1285 F1= 7.201 F2= 0.357 null null d= 5.9
assi (( resid 129 and name HD2*
))
(( resid 91 and name HD*) or ( resid 66 and name HE*
))
4.54 4.35 4.35
! peak number c 381 F1= 7.255 F2= 0.404 null null d= 4.3
assi (( resid 129 and name HD2*
))
(( resid 91 and name HD*) or ( resid 66 and name HE*) or ( resid 133 and name HN
))
3.27 2.31 2.31
! peak number h 1000 F1= 7.002 F2= 0.356 null null d= 5.8
assi (( resid 129 and name HD2*
))
(( resid 91 and name HZ
))
4.46 4.21 4.21
! peak number c 447 F1= 7.081 F2= 0.406 null null d= 4.6
assi (( resid 129 and name HD2*
))
(( resid 91 and name HZ) or ( resid 91 and name HE*) or ( resid 132 and name HD*
))
3.49 2.64 2.64
! peak number c 1293 F1= 7.659 F2= 1.047 null null d= 4.6
assi (( resid 129 and name HG
))
(( resid 129 and name HN
))
3.49 2.64 2.64
! peak number c 77 F1= 7.211 F2= 1.049 null null d= 4.6
assi (( resid 129 and name HG
))
(( resid 66 and name HE*) or ( resid 133 and name HN
))
3.49 2.64 2.64
! peak number c 1286 F1= 1.033 F2= 1.513 null null d= 4.5
assi (( resid 129 and name HG
))
(( resid 67 and name HB*
))
3.42 2.53 2.53
! peak number c 345 F1= 1.088 F2= 4.099 null null d= 4.5
assi (( resid 129 and name HG
))
(( resid 68 and name HA
))
3.42 2.53 2.53
! peak number n 137 F1= 1.017 F2= 7.641 null null d= 4.9
assi (( resid 129 and name HG) or ( resid 126 and name HD1*
))
(( resid 129 and name HN
))
4.11 3.00 3.00
! peak number n 222 F1= 0.995 F2= 7.559 null null d= 4.3
assi (( resid 129 and name HG) or ( resid 126 and name HD1*
))
(( resid 130 and name HN
))
3.60 2.31 2.31
! peak number c 1294 F1= 4.317 F2= 2.910 null null d= 5.2
assi (( resid 130 and name HA
))
(( resid 130 and name HB1
))
3.95 3.38 3.38
! peak number c 1295 F1= 4.317 F2= 3.117 null null d= 5.1
assi (( resid 130 and name HA
))
(( resid 130 and name HB2
))
3.87 3.25 3.25
! peak number h 1549 F1= 7.530 F2= 4.291 null null d= 4.8
assi (( resid 130 and name HA
))
(( resid 130 and name HN
))
3.69 1.19 1.19
! peak number c 374 F1= 7.188 F2= 2.914 null null d= 5.2
assi (( resid 130 and name HB1
))
(( resid 130 and name HD21
))
3.95 3.38 3.38
! peak number c 375 F1= 7.844 F2= 2.922 null null d= 4.9
assi (( resid 130 and name HB1
))
(( resid 130 and name HD22
))
3.72 3.06 3.06
! peak number c 1296 F1= 7.589 F2= 2.924 null null d= 4.9
assi (( resid 130 and name HB1
))
(( resid 130 and name HN
))
3.72 2.96 2.96
! peak number c 372 F1= 3.499 F2= 2.917 null null d= 5.2
assi (( resid 130 and name HB1
))
(( resid 91 and name HB1) or ( resid 88 and name HA
))
3.95 3.38 3.38
! peak number n 72 F1= 3.076 F2= 7.187 null null d= 4.2
assi (( resid 130 and name HB2
))
(( resid 130 and name HD21
))
3.52 2.21 2.21
! peak number n 79 F1= 3.076 F2= 7.813 null null d= 4.3
assi (( resid 130 and name HB2
))
(( resid 130 and name HD22
))
3.60 2.31 2.31
! peak number c 1297 F1= 7.609 F2= 3.114 null null d= 4.6
assi (( resid 130 and name HB2
))
(( resid 130 and name HN
))
3.49 2.68 2.68
! peak number c 30 F1= 3.149 F2= -0.018 null null d= 4.8
assi (( resid 130 and name HB2
))
(( resid 88 and name HG1*
))
3.65 2.88 2.88
! peak number c 378 F1= 3.507 F2= 3.115 null null d= 5.2
assi (( resid 130 and name HB2
))
(( resid 91 and name HB1) or ( resid 88 and name HA) or ( resid 132 and name HB1
))
3.95 3.38 3.38
! peak number h 1547 F1= 7.157 F2= 7.784 null null d= 4.3
assi (( resid 130 and name HD21
))
(( resid 130 and name HD22
))
3.31 2.31 2.31
! peak number n 251 F1= 7.186 F2= 7.563 null null d= 4.4
assi (( resid 130 and name HD21
))
(( resid 130 and name HN
))
3.69 2.42 2.42
! peak number n 179 F1= 3.480 F2= 7.191 null null d= 5.0
assi (( resid 130 and name HD21
))
(( resid 91 and name HB1) or ( resid 88 and name HA) or ( resid 67 and name HA) or ( resid 64 and name HA
))
4.19 3.12 3.12
! peak number n 76 F1= 7.558 F2= 7.810 null null d= 4.4
assi (( resid 130 and name HD22
))
(( resid 130 and name HN
))
3.69 2.42 2.42
! peak number n 178 F1= 3.484 F2= 7.816 null null d= 4.8
assi (( resid 130 and name HD22
))
(( resid 67 and name HA) or ( resid 64 and name HA
))
4.02 2.88 2.88
! peak number c 253 F1= 7.629 F2= 3.566 null null d= 4.8
assi (( resid 130 and name HN
))
(( resid 131 and name HD1
))
3.65 2.88 2.88
! peak number c 254 F1= 7.623 F2= 3.390 null null d= 5.2
assi (( resid 130 and name HN
))
(( resid 131 and name HD2
))
3.95 3.38 3.38
! peak number n 197 F1= 1.670 F2= 7.559 null null d= 3.9
assi (( resid 130 and name HN
))
(( resid 131 and name HG1) or ( resid 129 and name HB1
))
3.27 1.90 1.90
! peak number n 221 F1= 1.771 F2= 7.563 null null d= 3.8
assi (( resid 130 and name HN
))
(( resid 131 and name HG2
))
3.18 1.80 1.80
! peak number c 1299 F1= 4.266 F2= 0.538 null null d= 5.0
assi (( resid 131 and name HA
))
(( resid 131 and name HB1
))
3.80 3.06 3.06
! peak number c 1300 F1= 2.077 F2= 4.269 null null d= 4.3
assi (( resid 131 and name HA
))
(( resid 131 and name HB2
))
3.27 2.28 2.28
! peak number c 255 F1= 4.273 F2= 3.566 null null d= 5.3
assi (( resid 131 and name HA
))
(( resid 131 and name HD1
))
4.03 3.51 3.51
! peak number h 573 F1= 1.710 F2= 4.224 null null d= 5.0
assi (( resid 131 and name HA
))
(( resid 131 and name HG1
))
3.85 3.19 3.19
! peak number h 1552 F1= 4.217 F2= 1.770 null null d= 5.0
assi (( resid 131 and name HA
))
(( resid 131 and name HG2
))
3.85 3.12 3.12
! peak number c 1305 F1= 1.804 F2= 4.266 null null d= 4.5
assi (( resid 131 and name HA
))
(( resid 131 and name HG*
))
3.42 2.53 2.53
! peak number c 1304 F1= 3.529 F2= 4.271 null null d= 5.2
assi (( resid 131 and name HA
))
(( resid 132 and name HB1
))
3.95 3.38 3.38
! peak number c 1309 F1= 7.598 F2= 4.269 null null d= 5.2
assi (( resid 131 and name HA
))
(( resid 132 and name HN
))
3.95 1.29 1.29
! peak number c 256 F1= 4.268 F2= 3.390 null null d= 5.8
assi (( resid 131 and name HA) or ( resid 129 and name HA
))
(( resid 131 and name HD2
))
4.41 4.21 4.21
! peak number n 223 F1= 4.235 F2= 7.627 null null d= 3.8
assi (( resid 131 and name HA) or ( resid 129 and name HA
))
(( resid 132 and name HN
))
3.18 1.80 1.80
! peak number c 1302 F1= 0.556 F2= 2.071 null null d= 4.5
assi (( resid 131 and name HB1
))
(( resid 131 and name HB2
))
3.42 2.48 2.48
! peak number h 394 F1= 1.712 F2= 0.492 null null d= 5.0
assi (( resid 131 and name HB1
))
(( resid 131 and name HG1
))
3.85 3.19 3.19
! peak number c 1306 F1= 1.809 F2= 0.541 null null d= 4.6
assi (( resid 131 and name HB1
))
(( resid 131 and name HG*
))
3.49 2.64 2.64
! peak number h 400 F1= 1.531 F2= 0.488 null null d= 5.0
assi (( resid 131 and name HB1
))
(( resid 135 and name HE*
))
3.85 3.12 3.12
! peak number c 250 F1= 1.806 F2= 3.564 null null d= 4.7
assi (( resid 131 and name HD1
))
(( resid 131 and name HG*
))
3.57 2.76 2.76
! peak number h 295 F1= 3.340 F2= 1.700 null null d= 5.3
assi (( resid 131 and name HD2
))
(( resid 131 and name HG1
))
4.08 3.51 3.51
! peak number c 244 F1= 1.789 F2= 3.390 null null d= 4.7
assi (( resid 131 and name HD2
))
(( resid 131 and name HG*
))
3.57 2.76 2.76
! peak number h 1113 F1= 7.094 F2= 3.340 null null d= 5.4
assi (( resid 131 and name HD2
))
(( resid 132 and name HD*
))
4.16 3.65 3.65
! peak number h 1507 F1= 7.602 F2= 1.704 null null d= 4.7
assi (( resid 131 and name HG1) or ( resid 121 and name HB
))
(( resid 132 and name HN) or ( resid 121 and name HN
))
3.62 2.70 2.70
! peak number h 572 F1= 1.698 F2= 3.862 null null d= 5.2
assi (( resid 131 and name HG1) or ( resid 121 and name HB
))
(( resid 91 and name HA) or ( resid 124 and name HA
))
4.00 3.38 3.38
! peak number h 988 F1= 6.791 F2= 1.714 null null d= 5.4
assi (( resid 131 and name HG1) or ( resid 121 and name HB
))
(( resid 99 and name HE*) or ( resid 88 and name HN
))
4.16 3.65 3.65
! peak number c 1307 F1= 4.585 F2= 3.108 null null d= 4.5
assi (( resid 132 and name HA
))
(( resid 132 and name HB2
))
3.42 2.53 2.53
! peak number h 1554 F1= 7.097 F2= 4.579 null null d= 4.4
assi (( resid 132 and name HA
))
(( resid 132 and name HD*
))
3.39 2.42 2.42
! peak number h 1448 F1= 7.603 F2= 4.574 null null d= 5.0
assi (( resid 132 and name HA
))
(( resid 132 and name HN
))
3.85 1.25 1.25
! peak number h 1565 F1= 7.225 F2= 4.579 null null d= 5.0
assi (( resid 132 and name HA
))
(( resid 133 and name HN
))
3.85 1.25 1.25
! peak number h 1559 F1= 6.793 F2= 4.577 null null d= 5.8
assi (( resid 132 and name HA
))
(( resid 88 and name HN
))
4.46 1.45 1.45
! peak number c 1308 F1= 3.535 F2= 3.110 null null d= 4.6
assi (( resid 132 and name HB1
))
(( resid 132 and name HB2
))
3.49 2.64 2.64
! peak number h 1556 F1= 7.098 F2= 3.520 null null d= 6.0
assi (( resid 132 and name HB1
))
(( resid 132 and name HD*
))
4.62 4.50 4.50
! peak number h 1564 F1= 7.603 F2= 3.518 null null d= 4.8
assi (( resid 132 and name HB1
))
(( resid 132 and name HN
))
3.69 2.82 2.82
! peak number c 376 F1= 7.111 F2= 3.110 null null d= 4.4
assi (( resid 132 and name HB2
))
(( resid 132 and name HD*
))
3.34 2.42 2.42
! peak number c 377 F1= 7.620 F2= 3.112 null null d= 5.4
assi (( resid 132 and name HB2
))
(( resid 132 and name HN
))
4.10 3.61 3.61
! peak number h 1566 F1= 7.232 F2= 3.080 null null d= 4.5
assi (( resid 132 and name HB2
))
(( resid 133 and name HN
))
3.46 2.48 2.48
! peak number h 1560 F1= 6.793 F2= 3.077 null null d= 5.7
assi (( resid 132 and name HB2
))
(( resid 88 and name HN) or ( resid 132 and name HE*
))
4.39 4.06 4.06
! peak number h 1557 F1= 7.097 F2= 6.792 null null d= 3.7
assi (( resid 132 and name HD*
))
(( resid 132 and name HE*
))
2.85 1.67 1.67
! peak number h 200 F1= 7.594 F2= 7.102 null null d= 4.5
assi (( resid 132 and name HD*
))
(( resid 132 and name HN
))
3.46 2.49 2.49
! peak number h 956 F1= 7.096 F2= 1.364 null null d= 5.8
assi (( resid 132 and name HD*
))
(( resid 68 and name HG*
))
4.46 4.21 4.21
! peak number h 957 F1= 7.098 F2= 1.274 null null d= 6.1
assi (( resid 132 and name HD*
))
(( resid 70 and name HB*
))
4.70 4.65 4.65
! peak number h 1367 F1= 7.090 F2= -0.056 null null d= 5.3
assi (( resid 132 and name HD*
))
(( resid 88 and name HG1*
))
4.08 3.51 3.51
! peak number h 823 F1= 0.485 F2= 7.107 null null d= 6.2
assi (( resid 132 and name HD*
))
(( resid 88 and name HG2*) or ( resid 131 and name HB1
))
4.77 4.73 4.73
! peak number h 654 F1= 7.092 F2= 7.010 null null d= 4.3
assi (( resid 132 and name HD*
))
(( resid 91 and name HZ) or ( resid 75 and name HD1
))
3.31 2.31 2.31
! peak number c 398 F1= 6.813 F2= 2.122 null null d= 4.7
assi (( resid 132 and name HE*
))
(( resid 135 and name HG1
))
3.57 2.76 2.76
! peak number h 1008 F1= 6.790 F2= 1.276 null null d= 5.2
assi (( resid 132 and name HE*
))
(( resid 70 and name HB*
))
4.00 3.38 3.38
! peak number h 175 F1= 7.596 F2= 7.221 null null d= 4.4
assi (( resid 132 and name HN
))
(( resid 133 and name HN
))
3.39 1.10 1.10
! peak number c 397 F1= 7.659 F2= 2.531 null null d= 4.9
assi (( resid 132 and name HN
))
(( resid 135 and name HG2
))
3.72 3.00 3.00
! peak number h 1084 F1= 7.606 F2= 4.278 null null d= 5.8
assi (( resid 132 and name HN
))
(( resid 87 and name HA1) or ( resid 133 and name HA
))
4.46 4.21 4.21
! peak number n 188 F1= 6.820 F2= 7.625 null null d= 4.6
assi (( resid 132 and name HN
))
(( resid 88 and name HN) or ( resid 132 and name HE*
))
3.86 2.64 2.64
! peak number c 1311 F1= 4.340 F2= 1.851 null null d= 4.2
assi (( resid 133 and name HA
))
(( resid 133 and name HB1
))
3.19 2.21 2.21
! peak number c 1310 F1= 4.340 F2= 1.751 null null d= 4.4
assi (( resid 133 and name HA
))
(( resid 133 and name HB2
))
3.34 2.42 2.42
! peak number c 216 F1= 7.155 F2= 4.315 null null d= 4.3
assi (( resid 133 and name HA
))
(( resid 133 and name HE
))
3.27 2.37 2.37
! peak number h 1567 F1= 7.225 F2= 4.278 null null d= 4.7
assi (( resid 133 and name HA
))
(( resid 133 and name HN
))
3.62 1.18 1.18
! peak number c 221 F1= 8.721 F2= 4.318 null null d= 4.8
assi (( resid 133 and name HA
))
(( resid 134 and name HN
))
3.65 1.20 1.20
! peak number h 203 F1= 4.285 F2= 2.061 null null d= 4.3
assi (( resid 133 and name HA
))
(( resid 135 and name HG1) or ( resid 135 and name HB2
))
3.31 2.31 2.31
! peak number c 217 F1= 8.343 F2= 4.313 null null d= 4.4
assi (( resid 133 and name HA
))
(( resid 135 and name HN
))
3.34 1.10 1.10
! peak number c 215 F1= 7.625 F2= 4.318 null null d= 4.6
assi (( resid 133 and name HA
))
(( resid 73 and name HN) or ( resid 132 and name HN
))
3.49 2.64 2.64
! peak number h 227 F1= 4.283 F2= 1.694 null null d= 4.5
assi (( resid 133 and name HA) or ( resid 105 and name HA
))
(( resid 133 and name HB2) or ( resid 105 and name HB*
))
3.46 2.48 2.48
! peak number c 1148 F1= 4.347 F2= 3.155 null null d= 4.2
assi (( resid 133 and name HA) or ( resid 108 and name HA
))
(( resid 133 and name HD*) or ( resid 108 and name HD*
))
3.19 2.21 2.21
! peak number c 393 F1= 3.167 F2= 1.852 null null d= 4.4
assi (( resid 133 and name HB1
))
(( resid 133 and name HD*
))
3.34 2.42 2.42
! peak number h 110 F1= 1.860 F2= 7.219 null null d= 5.0
assi (( resid 133 and name HB1
))
(( resid 133 and name HN
))
3.85 3.12 3.12
! peak number c 394 F1= 3.160 F2= 1.752 null null d= 4.5
assi (( resid 133 and name HB2
))
(( resid 133 and name HD*
))
3.42 2.53 2.53
! peak number n 34 F1= 1.646 F2= 7.141 null null d= 4.4
assi (( resid 133 and name HB2
))
(( resid 133 and name HE
))
3.69 2.42 2.42
! peak number n 30 F1= 1.666 F2= 7.253 null null d= 3.6
assi (( resid 133 and name HB2
))
(( resid 133 and name HN
))
3.02 1.62 1.62
! peak number h 1569 F1= 8.662 F2= 1.691 null null d= 6.5
assi (( resid 133 and name HB2
))
(( resid 134 and name HN
))
5.00 5.28 5.28
! peak number n 69 F1= 1.714 F2= 8.050 null null d= 4.4
assi (( resid 133 and name HB2
))
(( resid 73 and name HD22
))
3.69 2.42 2.42
! peak number n 36 F1= 3.157 F2= 7.145 null null d= 4.1
assi (( resid 133 and name HD*
))
(( resid 133 and name HE
))
3.44 2.10 2.10
! peak number c 1312 F1= 3.154 F2= 1.615 null null d= 3.7
assi (( resid 133 and name HD*) or ( resid 108 and name HD*
))
(( resid 133 and name HG*) or ( resid 108 and name HG*
))
2.81 1.71 1.71
! peak number n 33 F1= 1.879 F2= 7.141 null null d= 4.3
assi (( resid 133 and name HE
))
(( resid 134 and name HB*
))
3.60 2.31 2.31
! peak number n 32 F1= 3.309 F2= 7.141 null null d= 4.1
assi (( resid 133 and name HE
))
(( resid 71 and name HB1
))
3.44 2.10 2.10
! peak number h 1118 F1= 7.140 F2= 3.348 null null d= 5.1
assi (( resid 133 and name HE
))
(( resid 72 and name HB1
))
3.93 3.25 3.25
! peak number h 1119 F1= 7.140 F2= 3.204 null null d= 5.3
assi (( resid 133 and name HE
))
(( resid 72 and name HB2
))
4.08 3.51 3.51
! peak number h 704 F1= 7.135 F2= 7.611 null null d= 5.8
assi (( resid 133 and name HE
))
(( resid 72 and name HN
))
4.46 4.21 4.21
! peak number c 47 F1= 1.581 F2= 3.322 null null d= 5.6
assi (( resid 133 and name HG*
))
(( resid 71 and name HB1
))
4.25 3.92 3.92
! peak number n 29 F1= 1.890 F2= 7.253 null null d= 3.5
assi (( resid 133 and name HN
))
(( resid 85 and name HB*) or ( resid 134 and name HB*
))
2.93 1.53 1.53
! peak number n 27 F1= 3.482 F2= 7.256 null null d= 4.3
assi (( resid 133 and name HN
))
(( resid 88 and name HA) or ( resid 74 and name HD1
))
3.60 2.31 2.31
! peak number c 326 F1= 7.280 F2= 1.576 null null d= 5.3
assi (( resid 133 and name HN
))
(( resid 88 and name HB
))
4.03 3.51 3.51
! peak number h 613 F1= 1.911 F2= 4.465 null null d= 5.1
assi (( resid 134 and name HA
))
(( resid 134 and name HB1
))
3.93 3.25 3.25
! peak number h 614 F1= 1.868 F2= 4.463 null null d= 5.1
assi (( resid 134 and name HA
))
(( resid 134 and name HB2
))
3.93 3.25 3.25
! peak number c 1316 F1= 1.906 F2= 4.521 null null d= 4.2
assi (( resid 134 and name HA
))
(( resid 134 and name HB*
))
3.19 2.26 2.26
! peak number c 1314 F1= 4.510 F2= 1.747 null null d= 4.9
assi (( resid 134 and name HA
))
(( resid 134 and name HD*
))
3.72 3.00 3.00
! peak number c 220 F1= 3.034 F2= 4.526 null null d= 4.6
assi (( resid 134 and name HA
))
(( resid 134 and name HE*
))
3.49 2.64 2.64
! peak number c 1313 F1= 4.503 F2= 1.470 null null d= 5.4
assi (( resid 134 and name HA
))
(( resid 134 and name HG1
))
4.10 3.65 3.65
! peak number c 1315 F1= 4.510 F2= 1.535 null null d= 5.3
assi (( resid 134 and name HA
))
(( resid 134 and name HG2
))
4.03 3.51 3.51
! peak number c 219 F1= 1.498 F2= 4.518 null null d= 4.6
assi (( resid 134 and name HA
))
(( resid 134 and name HG2) or ( resid 134 and name HG1
))
3.49 2.64 2.64
! peak number n 23 F1= 4.486 F2= 8.334 null null d= 3.5
assi (( resid 134 and name HA
))
(( resid 135 and name HN
))
2.93 0.88 0.88
! peak number c 218 F1= 1.397 F2= 4.518 null null d= 4.7
assi (( resid 134 and name HA
))
(( resid 68 and name HG*
))
3.57 2.76 2.76
! peak number h 1142 F1= 8.659 F2= 1.919 null null d= 5.3
assi (( resid 134 and name HB1
))
(( resid 134 and name HN
))
4.08 3.51 3.51
! peak number h 228 F1= 4.400 F2= 1.927 null null d= 4.8
assi (( resid 134 and name HB1
))
(( resid 135 and name HA
))
3.69 2.88 2.88
! peak number n 159 F1= 1.914 F2= 8.328 null null d= 3.6
assi (( resid 134 and name HB*
))
(( resid 135 and name HN
))
3.02 1.62 1.62
! peak number h 847 F1= 3.341 F2= 1.913 null null d= 5.7
assi (( resid 134 and name HB1
))
(( resid 72 and name HB1
))
4.39 4.06 4.06
! peak number h 1141 F1= 8.661 F2= 1.866 null null d= 5.2
assi (( resid 134 and name HB2
))
(( resid 134 and name HN
))
4.00 3.38 3.38
! peak number c 3 F1= 1.938 F2= 3.411 null null d= 5.1
assi (( resid 134 and name HB*
))
(( resid 72 and name HB1
))
3.87 3.25 3.25
! peak number c 396 F1= 8.137 F2= 1.911 null null d= 4.6
assi (( resid 134 and name HB*
))
(( resid 73 and name HD22
))
3.49 2.64 2.64
! peak number n 165 F1= 1.901 F2= 7.588 null null d= 4.7
assi (( resid 134 and name HB*
))
(( resid 73 and name HN
))
3.94 2.76 2.76
! peak number c 1317 F1= 3.045 F2= 1.744 null null d= 4.1
assi (( resid 134 and name HD*
))
(( resid 68 and name HE*
))
3.11 2.10 2.10
! peak number n 167 F1= 1.687 F2= 8.328 null null d= 4.6
assi (( resid 134 and name HD*) or ( resid 133 and name HB2
))
(( resid 135 and name HN
))
3.86 2.64 2.64
! peak number c 399 F1= 2.982 F2= 1.229 null null d= 4.3
assi (( resid 134 and name HE*
))
(( resid 136 and name HB*
))
3.27 2.31 2.31
! peak number c 1261 F1= 2.981 F2= 1.551 null null d= 4.6
assi (( resid 134 and name HE*) or ( resid 127 and name HE*
))
(( resid 134 and name HG2) or ( resid 127 and name HG*
))
3.49 2.64 2.64
! peak number h 141 F1= 8.664 F2= 1.416 null null d= 6.4
assi (( resid 134 and name HG1
))
(( resid 134 and name HN
))
4.93 5.12 5.12
! peak number h 249 F1= 8.664 F2= 1.482 null null d= 6.6
assi (( resid 134 and name HG2
))
(( resid 134 and name HN
))
5.08 5.44 5.44
! peak number n 22 F1= 1.469 F2= 8.333 null null d= 4.6
assi (( resid 134 and name HG2
))
(( resid 135 and name HN
))
3.86 2.64 2.64
! peak number c 1258 F1= 4.037 F2= 1.551 null null d= 4.5
assi (( resid 134 and name HG2
))
(( resid 72 and name HA
))
3.42 2.53 2.53
! peak number c 1318 F1= 4.466 F2= 2.026 null null d= 4.3
assi (( resid 135 and name HA
))
(( resid 135 and name HB1
))
3.27 2.28 2.28
! peak number c 1319 F1= 4.473 F2= 2.106 null null d= 4.1
assi (( resid 135 and name HA
))
(( resid 135 and name HB2
))
3.11 2.10 2.10
! peak number c 1320 F1= 4.449 F2= 2.117 null null d= 4.2
assi (( resid 135 and name HA
))
(( resid 135 and name HG1
))
3.19 2.21 2.21
! peak number c 1323 F1= 2.099 F2= 4.452 null null d= 4.4
assi (( resid 135 and name HA
))
(( resid 135 and name HG1) or ( resid 135 and name HB2
))
3.34 2.38 2.38
! peak number c 1321 F1= 4.435 F2= 2.533 null null d= 4.4
assi (( resid 135 and name HA
))
(( resid 135 and name HG2
))
3.34 2.46 2.46
! peak number c 1329 F1= 8.335 F2= 4.454 null null d= 4.5
assi (( resid 135 and name HA
))
(( resid 135 and name HN
))
3.42 1.12 1.12
! peak number h 1570 F1= 8.248 F2= 4.404 null null d= 5.5
assi (( resid 135 and name HA
))
(( resid 136 and name HN
))
4.23 1.38 1.38
! peak number h 913 F1= 8.310 F2= 4.402 null null d= 6.2
assi (( resid 135 and name HA) or ( resid 110 and name HA
))
(( resid 135 and name HN) or ( resid 111 and name HN
))
4.77 4.81 4.81
! peak number n 162 F1= 4.454 F2= 8.290 null null d= 3.6
assi (( resid 135 and name HA) or ( resid 134 and name HA
))
(( resid 136 and name HN
))
3.02 1.62 1.62
! peak number c 1326 F1= 2.503 F2= 2.037 null null d= 4.2
assi (( resid 135 and name HB1
))
(( resid 135 and name HG2
))
3.19 2.20 2.20
! peak number n 173 F1= 2.002 F2= 8.332 null null d= 3.7
assi (( resid 135 and name HB1
))
(( resid 135 and name HN
))
3.10 1.71 1.71
! peak number n 160 F1= 2.002 F2= 8.290 null null d= 4.3
assi (( resid 135 and name HB1
))
(( resid 136 and name HN
))
3.60 2.31 2.31
! peak number c 1327 F1= 2.519 F2= 2.120 null null d= 3.6
assi (( resid 135 and name HB2
))
(( resid 135 and name HG2
))
2.73 1.62 1.62
! peak number h 350 F1= 2.080 F2= 1.523 null null d= 5.3
assi (( resid 135 and name HE*) or ( resid 100 and name HE*
))
(( resid 135 and name HG1) or ( resid 135 and name HB2) or ( resid 100 and name HB1
))
4.08 3.51 3.51
! peak number c 1324 F1= 2.111 F2= 2.542 null null d= 3.5
assi (( resid 135 and name HG1
))
(( resid 135 and name HG2
))
2.66 1.53 1.53
! peak number c 392 F1= 2.071 F2= 1.232 null null d= 4.6
assi (( resid 135 and name HG1) or ( resid 135 and name HB2) or ( resid 135 and name HB1
))
(( resid 136 and name HB*
))
3.49 2.64 2.64
! peak number n 26 F1= 2.528 F2= 8.334 null null d= 4.4
assi (( resid 135 and name HG2
))
(( resid 135 and name HN
))
3.69 2.42 2.42
! peak number c 789 F1= 8.293 F2= 1.651 null null d= 5.0
assi (( resid 135 and name HN
))
(( resid 68 and name HD*
))
3.80 3.12 3.12
! peak number c 349 F1= 8.334 F2= 1.429 null null d= 5.0
assi (( resid 135 and name HN
))
(( resid 68 and name HG*
))
3.80 3.12 3.12
! peak number c 1330 F1= 4.200 F2= 1.228 null null d= 4.0
assi (( resid 136 and name HA
))
(( resid 136 and name HB*
))
3.04 2.00 2.00
! peak number c 1333 F1= 7.877 F2= 4.185 null null d= 3.9
assi (( resid 136 and name HA
))
(( resid 137 and name HN
))
2.96 0.97 0.97
! peak number h 524 F1= 1.188 F2= 4.137 null null d= 4.1
assi (( resid 136 and name HA) or ( resid 118 and name HA
))
(( resid 63 and name HB1) or ( resid 136 and name HB*
))
3.15 2.10 2.10
! peak number c 1332 F1= 8.266 F2= 1.233 null null d= 4.8
assi (( resid 136 and name HB*
))
(( resid 136 and name HN
))
3.65 2.91 2.91
! peak number n 38 F1= 1.214 F2= 7.870 null null d= 4.3
assi (( resid 136 and name HB*
))
(( resid 137 and name HN
))
3.60 2.31 2.31
! peak number h 62 F1= 1.552 F2= 8.256 null null d= 5.6
assi (( resid 136 and name HN
))
(( resid 137 and name HG*
))
4.31 3.92 3.92
! peak number h 48 F1= 1.507 F2= 8.252 null null d= 5.5
assi (( resid 136 and name HN) or ( resid 116 and name HN
))
(( resid 59 and name HB2) or ( resid 135 and name HE*
))
4.23 3.78 3.78
! peak number c 200 F1= 1.652 F2= 4.132 null null d= 4.0
assi (( resid 137 and name HA
))
(( resid 137 and name HB1
))
3.04 2.00 2.00
! peak number c 180 F1= 1.791 F2= 4.127 null null d= 3.9
assi (( resid 137 and name HA
))
(( resid 137 and name HB2
))
2.96 1.90 1.90
! peak number h 183 F1= 4.048 F2= 1.722 null null d= 4.4
assi (( resid 137 and name HA) or ( resid 126 and name HA
))
(( resid 137 and name HB2) or ( resid 126 and name HB1
))
3.39 2.42 2.42
! peak number c 252 F1= 7.872 F2= 1.663 null null d= 4.4
assi (( resid 137 and name HB1
))
(( resid 137 and name HN
))
3.34 2.42 2.42
! peak number h 78 F1= 1.726 F2= 7.858 null null d= 4.8
assi (( resid 137 and name HB2) or ( resid 126 and name HB1) or ( resid 125 and name HB
))
(( resid 137 and name HN) or ( resid 126 and name HN
))
3.69 2.88 2.88
! peak number c 153 F1= 2.199 F2= 3.395 null null d= 5.5
assi (( resid 41 and name HA
))
(( resid 41 and name HB
))
4.18 3.78 3.78
! peak number c 150 F1= 0.916 F2= 3.388 null null d= 4.4
assi (( resid 41 and name HA
))
(( resid 41 and name HG2*
))
3.34 2.48 2.48
! peak number h 927 F1= 3.338 F2= 2.167 null null d= 5.8
assi (( resid 41 and name HA
))
(( resid 42 and name HB1
))
4.46 4.21 4.21
! peak number c 154 F1= 1.807 F2= 3.395 null null d= 5.0
assi (( resid 41 and name HA
))
(( resid 42 and name HB2
))
3.80 3.12 3.12
! peak number h 931 F1= 3.338 F2= 1.757 null null d= 5.6
assi (( resid 41 and name HA
))
(( resid 43 and name HG*
))
4.31 3.92 3.92
! peak number c 155 F1= 1.355 F2= 3.390 null null d= 5.2
assi (( resid 41 and name HA
))
(( resid 44 and name HB1
))
3.95 3.38 3.38
! peak number c 463 F1= 3.401 F2= 0.714 null null d= 4.7
assi (( resid 41 and name HA
))
(( resid 44 and name HD1*
))
3.57 2.76 2.76
! peak number c 156 F1= 0.735 F2= 3.391 null null d= 4.5
assi (( resid 41 and name HA
))
(( resid 44 and name HD1*) or ( resid 41 and name HG1*
))
3.42 2.53 2.53
! peak number h 623 F1= 0.708 F2= 3.336 null null d= 4.6
assi (( resid 41 and name HA
))
(( resid 45 and name HD1*
))
3.54 2.64 2.64
! peak number c 459 F1= 3.378 F2= 0.757 null null d= 4.3
assi (( resid 41 and name HA) or ( resid 121 and name HA
))
(( resid 41 and name HG1*) or ( resid 121 and name HG1*
))
3.27 2.31 2.31
! peak number c 460 F1= 2.201 F2= 0.757 null null d= 3.5
assi (( resid 41 and name HB
))
(( resid 41 and name HG1*
))
2.66 1.53 1.53
! peak number c 461 F1= 2.173 F2= 0.939 null null d= 4.0
assi (( resid 41 and name HB
))
(( resid 41 and name HG2*
))
3.04 2.03 2.03
! peak number h 938 F1= 8.210 F2= 0.881 null null d= 6.1
assi (( resid 41 and name HG2*
))
(( resid 42 and name HN
))
4.70 4.65 4.65
! peak number n 415 F1= 0.856 F2= 7.918 null null d= 4.5
assi (( resid 41 and name HG2*
))
(( resid 43 and name HN
))
3.77 2.53 2.53
! peak number c 465 F1= 3.626 F2= 2.207 null null d= 4.8
assi (( resid 42 and name HA
))
(( resid 42 and name HB1
))
3.65 2.94 2.94
! peak number c 468 F1= 1.802 F2= 3.646 null null d= 4.4
assi (( resid 42 and name HA
))
(( resid 42 and name HB2
))
3.34 2.42 2.42
! peak number c 473 F1= 8.261 F2= 3.646 null null d= 5.3
assi (( resid 42 and name HA
))
(( resid 42 and name HN
))
4.03 1.32 1.32
! peak number c 466 F1= 3.658 F2= 0.716 null null d= 4.6
assi (( resid 42 and name HA
))
(( resid 44 and name HD1*
))
3.49 2.64 2.64
! peak number c 152 F1= 0.812 F2= 3.646 null null d= 4.4
assi (( resid 42 and name HA
))
(( resid 45 and name HD2*
))
3.34 2.42 2.42
! peak number c 472 F1= 1.718 F2= 3.648 null null d= 4.4
assi (( resid 42 and name HA
))
(( resid 45 and name HG) or ( resid 42 and name HG*
))
3.34 2.42 2.42
! peak number c 471 F1= 2.932 F2= 2.210 null null d= 4.9
assi (( resid 42 and name HB1
))
(( resid 42 and name HE1
))
3.72 3.00 3.00
! peak number c 175 F1= 2.208 F2= 0.788 null null d= 4.5
assi (( resid 42 and name HB1) or ( resid 41 and name HB
))
(( resid 45 and name HD2*
))
3.42 2.53 2.53
! peak number n 413 F1= 1.768 F2= 7.520 null null d= 4.2
assi (( resid 42 and name HB2
))
(( resid 45 and name HN
))
3.52 2.21 2.21
! peak number c 306 F1= 1.861 F2= 3.989 null null d= 3.8
assi (( resid 42 and name HB2
))
(( resid 46 and name HA
))
2.88 1.80 1.80
! peak number c 475 F1= 4.166 F2= 1.935 null null d= 4.0
assi (( resid 43 and name HA
))
(( resid 43 and name HB*
))
3.04 1.95 1.95
! peak number c 452 F1= 3.179 F2= 4.166 null null d= 5.1
assi (( resid 43 and name HA
))
(( resid 43 and name HD*
))
3.87 3.25 3.25
! peak number h 1520 F1= 4.048 F2= 1.744 null null d= 4.2
assi (( resid 43 and name HA
))
(( resid 43 and name HG*
))
3.23 2.21 2.21
! peak number h 1207 F1= 7.932 F2= 4.061 null null d= 4.6
assi (( resid 43 and name HA
))
(( resid 43 and name HN
))
3.54 1.15 1.15
! peak number c 351 F1= 4.159 F2= 1.761 null null d= 5.0
assi (( resid 43 and name HA
))
(( resid 45 and name HG
))
3.80 3.12 3.12
! peak number h 841 F1= 4.072 F2= 8.246 null null d= 5.1
assi (( resid 43 and name HA
))
(( resid 47 and name HN
))
3.93 1.27 1.27
! peak number c 477 F1= 3.186 F2= 1.934 null null d= 4.4
assi (( resid 43 and name HB*
))
(( resid 43 and name HD*
))
3.34 2.42 2.42
! peak number c 391 F1= 7.956 F2= 1.936 null null d= 4.0
assi (( resid 43 and name HB*
))
(( resid 43 and name HN
))
3.04 1.95 1.95
! peak number h 1162 F1= 7.589 F2= 1.888 null null d= 5.0
assi (( resid 43 and name HB*
))
(( resid 44 and name HN
))
3.85 3.12 3.12
! peak number n 397 F1= 1.890 F2= 7.841 null null d= 4.2
assi (( resid 43 and name HB*
))
(( resid 46 and name HN
))
3.52 2.21 2.21
! peak number h 442 F1= 1.178 F2= 1.872 null null d= 4.8
assi (( resid 43 and name HB*) or ( resid 134 and name HB2
))
(( resid 47 and name HG2*) or ( resid 136 and name HB*
))
3.69 2.88 2.88
! peak number c 1141 F1= 1.722 F2= 3.158 null null d= 3.4
assi (( resid 43 and name HD*) or ( resid 133 and name HD*) or ( resid 108 and name HD*
))
(( resid 43 and name HG*) or ( resid 133 and name HB2) or ( resid 108 and name HB2
))
2.58 1.44 1.44
! peak number c 478 F1= 4.103 F2= 3.177 null null d= 4.6
assi (( resid 43 and name HD*) or ( resid 137 and name HD*
))
(( resid 44 and name HA) or ( resid 137 and name HA
))
3.49 2.64 2.64
! peak number c 390 F1= 1.782 F2= 3.173 null null d= 3.4
assi (( resid 43 and name HD*) or ( resid 137 and name HD*) or ( resid 133 and name HD*) or ( resid 108 and name HD*
))
(( resid 43 and name HG*) or ( resid 137 and name HB2) or ( resid 133 and name HB2) or ( resid 108 and name HB2
))
2.58 1.44 1.44
! peak number h 346 F1= 1.751 F2= 1.319 null null d= 4.7
assi (( resid 43 and name HG*
))
(( resid 44 and name HB1
))
3.62 2.76 2.76
! peak number h 167 F1= 3.930 F2= 1.742 null null d= 4.8
assi (( resid 43 and name HG*
))
(( resid 46 and name HA
))
3.69 2.88 2.88
! peak number n 419 F1= 1.758 F2= 7.922 null null d= 3.8
assi (( resid 43 and name HG*) or ( resid 42 and name HB2
))
(( resid 43 and name HN
))
3.18 1.80 1.80
! peak number c 144 F1= 1.365 F2= 4.088 null null d= 4.6
assi (( resid 44 and name HA
))
(( resid 44 and name HB1
))
3.49 2.68 2.68
! peak number c 146 F1= 1.882 F2= 4.087 null null d= 4.7
assi (( resid 44 and name HA
))
(( resid 44 and name HB2
))
3.57 2.72 2.72
! peak number c 480 F1= 4.066 F2= 0.712 null null d= 4.9
assi (( resid 44 and name HA
))
(( resid 44 and name HD1*
))
3.72 3.00 3.00
! peak number c 481 F1= 4.096 F2= 0.784 null null d= 3.9
assi (( resid 44 and name HA
))
(( resid 44 and name HD2*
))
2.96 1.90 1.90
! peak number c 145 F1= 1.734 F2= 4.089 null null d= 4.2
assi (( resid 44 and name HA
))
(( resid 44 and name HG
))
3.19 2.20 2.20
! peak number c 492 F1= 7.610 F2= 4.091 null null d= 4.8
assi (( resid 44 and name HA
))
(( resid 44 and name HN
))
3.65 1.20 1.20
! peak number h 782 F1= 7.483 F2= 4.032 null null d= 5.8
assi (( resid 44 and name HA
))
(( resid 45 and name HN
))
4.46 1.45 1.45
! peak number c 182 F1= 1.359 F2= 1.876 null null d= 4.2
assi (( resid 44 and name HB1
))
(( resid 44 and name HB2
))
3.19 2.21 2.21
! peak number c 484 F1= 1.354 F2= 0.718 null null d= 3.9
assi (( resid 44 and name HB1
))
(( resid 44 and name HD1*
))
2.96 1.90 1.90
! peak number c 483 F1= 1.346 F2= 0.792 null null d= 3.7
assi (( resid 44 and name HB1
))
(( resid 44 and name HD2*
))
2.81 1.74 1.74
! peak number c 184 F1= 7.618 F2= 1.368 null null d= 5.2
assi (( resid 44 and name HB1
))
(( resid 44 and name HN
))
3.95 3.41 3.41
! peak number h 348 F1= 1.607 F2= 1.313 null null d= 4.6
assi (( resid 44 and name HB1
))
(( resid 45 and name HB*
))
3.54 2.64 2.64
! peak number c 275 F1= 1.347 F2= 0.754 null null d= 3.8
assi (( resid 44 and name HB1
))
(( resid 45 and name HD1*
))
2.88 1.77 1.77
! peak number c 486 F1= 0.789 F2= 1.368 null null d= 3.8
assi (( resid 44 and name HB1
))
(( resid 45 and name HD1*) or ( resid 44 and name HD2*
))
2.88 1.80 1.80
! peak number c 176 F1= 1.369 F2= 0.788 null null d= 4.0
assi (( resid 44 and name HB1
))
(( resid 45 and name HD2*
))
3.04 2.00 2.00
! peak number h 115 F1= 1.318 F2= 7.487 null null d= 5.6
assi (( resid 44 and name HB1
))
(( resid 45 and name HN
))
4.31 3.92 3.92
! peak number n 399 F1= 1.332 F2= 7.844 null null d= 4.6
assi (( resid 44 and name HB1
))
(( resid 46 and name HN
))
3.86 2.64 2.64
! peak number h 363 F1= 1.829 F2= 0.672 null null d= 4.8
assi (( resid 44 and name HB2
))
(( resid 44 and name HD1*
))
3.69 2.94 2.94
! peak number c 181 F1= 0.772 F2= 1.882 null null d= 4.3
assi (( resid 44 and name HB2
))
(( resid 44 and name HD2*
))
3.27 2.31 2.31
! peak number c 185 F1= 7.612 F2= 1.882 null null d= 4.8
assi (( resid 44 and name HB2
))
(( resid 44 and name HN
))
3.65 2.88 2.88
! peak number h 831 F1= 7.480 F2= 1.825 null null d= 5.3
assi (( resid 44 and name HB2
))
(( resid 45 and name HN
))
4.08 3.58 3.58
! peak number c 487 F1= 0.722 F2= 1.735 null null d= 3.9
assi (( resid 44 and name HD1*
))
(( resid 44 and name HG
))
2.96 1.87 1.87
! peak number c 493 F1= 7.629 F2= 0.710 null null d= 5.1
assi (( resid 44 and name HD1*
))
(( resid 44 and name HN
))
3.87 3.25 3.25
! peak number c 371 F1= 0.771 F2= 1.732 null null d= 3.7
assi (( resid 44 and name HD2*
))
(( resid 44 and name HG
))
2.81 1.68 1.68
! peak number h 359 F1= 1.827 F2= 0.732 null null d= 4.6
assi (( resid 44 and name HD2*) or ( resid 125 and name HG2*
))
(( resid 94 and name HB1) or ( resid 44 and name HB2
))
3.54 2.64 2.64
! peak number n 401 F1= 0.734 F2= 7.663 null null d= 4.5
assi (( resid 44 and name HN
))
(( resid 45 and name HD1*) or ( resid 44 and name HD2*
))
3.77 2.53 2.53
! peak number c 173 F1= 7.664 F2= 1.763 null null d= 4.9
assi (( resid 44 and name HN
))
(( resid 45 and name HG
))
3.72 3.00 3.00
! peak number c 494 F1= 4.338 F2= 1.658 null null d= 4.3
assi (( resid 45 and name HA
))
(( resid 45 and name HB*
))
3.27 2.28 2.28
! peak number h 1051 F1= 4.283 F2= 0.709 null null d= 4.0
assi (( resid 45 and name HA
))
(( resid 45 and name HD1*
))
3.08 2.05 2.05
! peak number c 496 F1= 4.339 F2= 0.787 null null d= 4.6
assi (( resid 45 and name HA
))
(( resid 45 and name HD2*
))
3.49 2.64 2.64
! peak number c 501 F1= 0.773 F2= 4.336 null null d= 4.1
assi (( resid 45 and name HA
))
(( resid 45 and name HD2*) or ( resid 45 and name HD1*
))
3.11 2.10 2.10
! peak number c 147 F1= 7.502 F2= 4.340 null null d= 5.1
assi (( resid 45 and name HA
))
(( resid 45 and name HN
))
3.87 1.26 1.26
! peak number h 1210 F1= 7.854 F2= 4.285 null null d= 4.8
assi (( resid 45 and name HA
))
(( resid 46 and name HN
))
3.69 1.21 1.21
! peak number h 1034 F1= 4.287 F2= 0.755 null null d= 5.0
assi (( resid 45 and name HA
))
(( resid 47 and name HD1*
))
3.85 3.12 3.12
! peak number h 283 F1= 4.286 F2= 7.861 null null d= 5.5
assi (( resid 45 and name HA) or ( resid 105 and name HA
))
(( resid 46 and name HN) or ( resid 105 and name HN
))
4.23 3.78 3.78
! peak number c 495 F1= 4.330 F2= 0.759 null null d= 3.8
assi (( resid 45 and name HA) or ( resid 120 and name HA
))
(( resid 45 and name HD1*) or ( resid 121 and name HG1*
))
2.88 1.80 1.80
! peak number c 500 F1= 1.686 F2= 0.783 null null d= 3.9
assi (( resid 45 and name HB*
))
(( resid 45 and name HD2*
))
2.96 1.93 1.93
! peak number c 504 F1= 7.519 F2= 1.658 null null d= 4.7
assi (( resid 45 and name HB*
))
(( resid 45 and name HN
))
3.57 2.80 2.80
! peak number c 505 F1= 7.922 F2= 1.656 null null d= 4.5
assi (( resid 45 and name HB*
))
(( resid 46 and name HN
))
3.42 2.53 2.53
! peak number h 415 F1= 0.743 F2= 1.599 null null d= 3.7
assi (( resid 45 and name HB*) or ( resid 122 and name HG*
))
(( resid 45 and name HD2*) or ( resid 125 and name HG11
))
2.85 1.71 1.71
! peak number c 499 F1= 1.719 F2= 0.755 null null d= 3.5
assi (( resid 45 and name HD1*
))
(( resid 45 and name HG
))
2.66 1.53 1.53
! peak number h 125 F1= 0.706 F2= 7.484 null null d= 5.0
assi (( resid 45 and name HD1*
))
(( resid 45 and name HN
))
3.85 3.08 3.08
! peak number c 960 F1= 7.912 F2= 0.743 null null d= 4.5
assi (( resid 45 and name HD1*) or ( resid 121 and name HG1*
))
(( resid 46 and name HN) or ( resid 120 and name HN
))
3.42 2.53 2.53
! peak number h 333 F1= 1.704 F2= 0.736 null null d= 3.8
assi (( resid 45 and name HD2*
))
(( resid 45 and name HG
))
2.92 1.80 1.80
! peak number h 156 F1= 0.747 F2= 7.480 null null d= 5.0
assi (( resid 45 and name HD2*) or ( resid 44 and name HD2*
))
(( resid 45 and name HN
))
3.85 3.19 3.19
! peak number c 503 F1= 0.787 F2= 1.751 null null d= 3.9
assi (( resid 45 and name HD2*) or ( resid 45 and name HD1*
))
(( resid 45 and name HG
))
2.96 1.90 1.90
! peak number c 174 F1= 7.517 F2= 1.763 null null d= 5.2
assi (( resid 45 and name HG
))
(( resid 45 and name HN
))
3.95 3.38 3.38
! peak number c 179 F1= 7.872 F2= 1.763 null null d= 4.7
assi (( resid 45 and name HG
))
(( resid 46 and name HN
))
3.57 2.70 2.70
! peak number n 393 F1= 1.718 F2= 8.287 null null d= 3.6
assi (( resid 45 and name HG
))
(( resid 47 and name HN
))
3.02 1.62 1.62
! peak number n 426 F1= 7.841 F2= 7.523 null null d= 4.2
assi (( resid 45 and name HN
))
(( resid 46 and name HN
))
3.52 1.06 1.06
! peak number h 664 F1= 7.475 F2= 6.802 null null d= 3.5
assi (( resid 45 and name HN
))
(( resid 49 and name HD21
))
2.69 1.49 1.49
! peak number c 292 F1= 7.892 F2= 3.983 null null d= 3.6
assi (( resid 46 and name HA
))
(( resid 46 and name HN
))
2.73 0.91 0.91
! peak number h 250 F1= 3.932 F2= 8.244 null null d= 4.8
assi (( resid 46 and name HA
))
(( resid 47 and name HN
))
3.69 1.21 1.21
! peak number h 268 F1= 3.922 F2= 8.199 null null d= 5.4
assi (( resid 46 and name HA
))
(( resid 50 and name HN
))
4.16 1.35 1.35
! peak number h 1211 F1= 7.857 F2= 3.927 null null d= 5.3
assi (( resid 46 and name HA) or ( resid 125 and name HA
))
(( resid 46 and name HN) or ( resid 128 and name HN
))
4.08 3.51 3.51
! peak number h 179 F1= 3.932 F2= 1.597 null null d= 4.4
assi (( resid 46 and name HA) or ( resid 125 and name HA
))
(( resid 47 and name HG11) or ( resid 45 and name HB*) or ( resid 122 and name HG*
))
3.39 2.42 2.42
! peak number c 506 F1= 7.882 F2= 4.040 null null d= 5.0
assi (( resid 46 and name HB*
))
(( resid 46 and name HN
))
3.80 3.12 3.12
! peak number n 597 F1= 4.039 F2= 8.288 null null d= 3.4
assi (( resid 46 and name HB*
))
(( resid 47 and name HN
))
2.85 1.44 1.44
! peak number h 207 F1= 4.047 F2= 1.005 null null d= 4.2
assi (( resid 46 and name HB*) or ( resid 126 and name HA
))
(( resid 47 and name HG12) or ( resid 126 and name HD1*
))
3.23 2.26 2.26
! peak number n 424 F1= 4.021 F2= 7.844 null null d= 3.2
assi (( resid 46 and name HB*) or ( resid 43 and name HA
))
(( resid 46 and name HN
))
2.68 1.28 1.28
! peak number n 398 F1= 0.764 F2= 7.844 null null d= 4.2
assi (( resid 46 and name HN
))
(( resid 47 and name HD1*) or ( resid 45 and name HD2*
))
3.52 2.21 2.21
! peak number n 425 F1= 8.279 F2= 7.837 null null d= 3.9
assi (( resid 46 and name HN
))
(( resid 47 and name HN
))
3.27 0.97 0.97
! peak number h 257 F1= 4.238 F2= 7.862 null null d= 5.0
assi (( resid 46 and name HN) or ( resid 120 and name HN) or ( resid 105 and name HN
))
(( resid 47 and name HA) or ( resid 119 and name HB) or ( resid 106 and name HB
))
3.85 3.12 3.12
! peak number h 1053 F1= 7.856 F2= 1.003 null null d= 5.4
assi (( resid 46 and name HN) or ( resid 126 and name HN
))
(( resid 47 and name HG12) or ( resid 126 and name HD1*
))
4.16 3.65 3.65
! peak number h 729 F1= 7.860 F2= 4.239 null null d= 5.1
assi (( resid 46 and name HN) or ( resid 128 and name HN
))
(( resid 47 and name HA) or ( resid 129 and name HA
))
3.93 3.25 3.25
! peak number c 508 F1= 4.271 F2= 1.572 null null d= 5.8
assi (( resid 47 and name HA
))
(( resid 47 and name HB
))
4.41 4.21 4.21
! peak number c 509 F1= 4.270 F2= 0.801 null null d= 4.9
assi (( resid 47 and name HA
))
(( resid 47 and name HD1*
))
3.72 3.00 3.00
! peak number c 513 F1= 1.622 F2= 4.271 null null d= 4.6
assi (( resid 47 and name HA
))
(( resid 47 and name HG11
))
3.49 2.64 2.64
! peak number c 440 F1= 1.056 F2= 4.270 null null d= 4.7
assi (( resid 47 and name HA
))
(( resid 47 and name HG12
))
3.57 2.70 2.70
! peak number c 525 F1= 1.223 F2= 4.268 null null d= 4.6
assi (( resid 47 and name HA
))
(( resid 47 and name HG2*
))
3.49 2.64 2.64
! peak number n 598 F1= 4.232 F2= 8.287 null null d= 3.8
assi (( resid 47 and name HA
))
(( resid 47 and name HN
))
3.18 0.95 0.95
! peak number n 408 F1= 4.232 F2= 8.760 null null d= 3.8
assi (( resid 47 and name HA
))
(( resid 48 and name HN
))
3.18 0.95 0.95
! peak number n 599 F1= 4.253 F2= 7.367 null null d= 4.2
assi (( resid 47 and name HA
))
(( resid 49 and name HN
))
3.52 1.05 1.05
! peak number c 527 F1= 8.253 F2= 4.271 null null d= 5.4
assi (( resid 47 and name HA
))
(( resid 50 and name HN
))
4.10 1.35 1.35
! peak number c 511 F1= 4.270 F2= 1.623 null null d= 4.0
assi (( resid 47 and name HA) or ( resid 106 and name HB
))
(( resid 47 and name HG11) or ( resid 105 and name HG
))
3.04 2.00 2.00
! peak number h 1212 F1= 8.248 F2= 4.236 null null d= 4.8
assi (( resid 47 and name HA) or ( resid 115 and name HA
))
(( resid 47 and name HN) or ( resid 116 and name HN
))
3.69 2.88 2.88
! peak number h 518 F1= 1.168 F2= 4.243 null null d= 3.9
assi (( resid 47 and name HA) or ( resid 119 and name HB) or ( resid 106 and name HB
))
(( resid 47 and name HG2*) or ( resid 119 and name HG2*) or ( resid 106 and name HG2*
))
3.00 1.90 1.90
! peak number c 515 F1= 0.802 F2= 1.572 null null d= 4.6
assi (( resid 47 and name HB
))
(( resid 47 and name HD1*
))
3.49 2.64 2.64
! peak number h 683 F1= 1.532 F2= 1.006 null null d= 4.7
assi (( resid 47 and name HB
))
(( resid 47 and name HG12
))
3.62 2.76 2.76
! peak number c 304 F1= 1.228 F2= 1.571 null null d= 4.3
assi (( resid 47 and name HB
))
(( resid 47 and name HG2*
))
3.27 2.28 2.28
! peak number h 178 F1= 4.128 F2= 1.528 null null d= 5.5
assi (( resid 47 and name HB) or ( resid 100 and name HE*
))
(( resid 53 and name HA
))
4.23 3.78 3.78
! peak number c 521 F1= 1.612 F2= 0.804 null null d= 3.4
assi (( resid 47 and name HD1*
))
(( resid 47 and name HG11
))
2.58 1.44 1.44
! peak number c 518 F1= 1.073 F2= 0.806 null null d= 4.0
assi (( resid 47 and name HD1*
))
(( resid 47 and name HG12
))
3.04 2.05 2.05
! peak number c 517 F1= 0.800 F2= 1.225 null null d= 3.9
assi (( resid 47 and name HD1*
))
(( resid 47 and name HG2*
))
2.96 1.90 1.90
! peak number c 194 F1= 8.289 F2= 0.806 null null d= 4.9
assi (( resid 47 and name HD1*
))
(( resid 47 and name HN
))
3.72 3.00 3.00
! peak number h 842 F1= 0.764 F2= 3.441 null null d= 5.0
assi (( resid 47 and name HD1*
))
(( resid 52 and name HB1
))
3.85 3.12 3.12
! peak number h 843 F1= 0.764 F2= 3.033 null null d= 5.5
assi (( resid 47 and name HD1*
))
(( resid 52 and name HB2
))
4.23 3.78 3.78
! peak number h 157 F1= 0.761 F2= 6.821 null null d= 4.8
assi (( resid 47 and name HD1*
))
(( resid 52 and name HD2
))
3.69 2.88 2.88
! peak number c 1086 F1= 6.852 F2= 0.777 null null d= 4.3
assi (( resid 47 and name HD1*) or ( resid 121 and name HD1*
))
(( resid 99 and name HE*) or ( resid 97 and name HE21) or ( resid 52 and name HD2) or ( resid 117 and name HE*
))
3.27 2.31 2.31
! peak number c 520 F1= 1.033 F2= 1.627 null null d= 3.9
assi (( resid 47 and name HG11
))
(( resid 47 and name HG12
))
2.96 1.87 1.87
! peak number c 178 F1= 8.320 F2= 1.637 null null d= 4.9
assi (( resid 47 and name HG11
))
(( resid 47 and name HN
))
3.72 3.00 3.00
! peak number n 405 F1= 1.576 F2= 8.760 null null d= 4.4
assi (( resid 47 and name HG11
))
(( resid 48 and name HN
))
3.69 2.42 2.42
! peak number c 212 F1= 1.662 F2= 3.991 null null d= 3.7
assi (( resid 47 and name HG11) or ( resid 45 and name HB*
))
(( resid 97 and name HA) or ( resid 46 and name HA
))
2.81 1.71 1.71
! peak number c 177 F1= 8.274 F2= 1.061 null null d= 5.4
assi (( resid 47 and name HG12
))
(( resid 47 and name HN
))
4.10 3.65 3.65
! peak number h 952 F1= 6.829 F2= 1.001 null null d= 5.4
assi (( resid 47 and name HG12
))
(( resid 52 and name HD2
))
4.16 3.65 3.65
! peak number h 213 F1= 4.131 F2= 1.008 null null d= 5.1
assi (( resid 47 and name HG12
))
(( resid 53 and name HA
))
3.93 3.19 3.19
! peak number h 148 F1= 1.002 F2= 7.609 null null d= 5.5
assi (( resid 47 and name HG12) or ( resid 129 and name HG) or ( resid 126 and name HD1*
))
(( resid 53 and name HN) or ( resid 129 and name HN
))
4.23 3.85 3.85
! peak number c 529 F1= 8.300 F2= 1.232 null null d= 4.6
assi (( resid 47 and name HG2*
))
(( resid 47 and name HN
))
3.49 2.59 2.59
! peak number n 195 F1= 1.181 F2= 8.764 null null d= 3.8
assi (( resid 47 and name HG2*
))
(( resid 48 and name HN
))
3.18 1.80 1.80
! peak number h 947 F1= 7.335 F2= 1.176 null null d= 4.2
assi (( resid 47 and name HG2*
))
(( resid 49 and name HN
))
3.23 2.26 2.26
! peak number c 567 F1= 6.881 F2= 1.228 null null d= 4.5
assi (( resid 47 and name HG2*
))
(( resid 52 and name HD2
))
3.42 2.49 2.49
! peak number c 186 F1= 7.942 F2= 1.233 null null d= 5.2
assi (( resid 47 and name HG2*
))
(( resid 99 and name HN) or ( resid 43 and name HN
))
3.95 3.38 3.38
! peak number h 727 F1= 1.173 F2= 7.332 null null d= 5.4
assi (( resid 47 and name HG2*) or ( resid 119 and name HG2*
))
(( resid 49 and name HN) or ( resid 117 and name HD*
))
4.16 3.65 3.65
! peak number n 392 F1= 2.630 F2= 8.294 null null d= 3.3
assi (( resid 47 and name HN
))
(( resid 50 and name HB2
))
2.76 1.36 1.36
! peak number c 533 F1= 1.126 F2= 4.522 null null d= 4.1
assi (( resid 48 and name HA
))
(( resid 48 and name HG2*
))
3.11 2.10 2.10
! peak number c 148 F1= 3.466 F2= 4.516 null null d= 4.8
assi (( resid 48 and name HA
))
(( resid 52 and name HB1
))
3.65 2.88 2.88
! peak number c 534 F1= 1.133 F2= 4.542 null null d= 3.8
assi (( resid 48 and name HB
))
(( resid 48 and name HG2*
))
2.88 1.80 1.80
! peak number n 407 F1= 4.506 F2= 8.760 null null d= 4.2
assi (( resid 48 and name HB
))
(( resid 48 and name HN
))
3.52 2.21 2.21
! peak number n 601 F1= 4.506 F2= 7.364 null null d= 3.9
assi (( resid 48 and name HB
))
(( resid 49 and name HN
))
3.27 1.90 1.90
! peak number c 531 F1= 4.530 F2= 1.108 null null d= 3.4
assi (( resid 48 and name HB) or ( resid 48 and name HA
))
(( resid 48 and name HG2*
))
2.58 1.44 1.44
! peak number n 409 F1= 1.072 F2= 8.764 null null d= 4.0
assi (( resid 48 and name HG2*
))
(( resid 48 and name HN
))
3.35 2.00 2.00
! peak number h 1516 F1= 4.127 F2= 1.067 null null d= 5.0
assi (( resid 48 and name HG2*) or ( resid 126 and name HD2*
))
(( resid 53 and name HA) or ( resid 118 and name HA
))
3.85 3.06 3.06
! peak number n 400 F1= 7.386 F2= 8.760 null null d= 4.3
assi (( resid 48 and name HN
))
(( resid 49 and name HN
))
3.60 1.09 1.09
! peak number c 196 F1= 4.932 F2= 3.206 null null d= 4.8
assi (( resid 49 and name HA
))
(( resid 49 and name HB1
))
3.65 2.88 2.88
! peak number c 195 F1= 4.924 F2= 2.949 null null d= 4.5
assi (( resid 49 and name HA
))
(( resid 49 and name HB2
))
3.42 2.59 2.59
! peak number h 680 F1= 7.339 F2= 4.913 null null d= 5.0
assi (( resid 49 and name HA
))
(( resid 49 and name HN
))
3.85 1.25 1.25
! peak number h 679 F1= 8.197 F2= 4.915 null null d= 5.0
assi (( resid 49 and name HA
))
(( resid 50 and name HN
))
3.85 1.26 1.26
! peak number c 197 F1= 2.949 F2= 3.204 null null d= 4.3
assi (( resid 49 and name HB1
))
(( resid 49 and name HB2
))
3.27 2.37 2.37
! peak number n 16 F1= 3.157 F2= 6.901 null null d= 4.5
assi (( resid 49 and name HB1
))
(( resid 49 and name HD21
))
3.77 2.53 2.53
! peak number n 20 F1= 3.147 F2= 7.641 null null d= 4.4
assi (( resid 49 and name HB1
))
(( resid 49 and name HD22
))
3.69 2.42 2.42
! peak number h 1116 F1= 7.331 F2= 3.190 null null d= 5.1
assi (( resid 49 and name HB1
))
(( resid 49 and name HN
))
3.93 3.25 3.25
! peak number n 458 F1= 3.183 F2= 8.256 null null d= 4.3
assi (( resid 49 and name HB1
))
(( resid 50 and name HN
))
3.60 2.31 2.31
! peak number n 18 F1= 2.924 F2= 6.894 null null d= 4.1
assi (( resid 49 and name HB2
))
(( resid 49 and name HD21
))
3.44 2.10 2.10
! peak number n 19 F1= 2.934 F2= 7.641 null null d= 4.0
assi (( resid 49 and name HB2
))
(( resid 49 and name HD22
))
3.35 2.00 2.00
! peak number n 604 F1= 2.904 F2= 7.367 null null d= 4.3
assi (( resid 49 and name HB2
))
(( resid 49 and name HN
))
3.60 2.31 2.31
! peak number n 454 F1= 2.904 F2= 8.258 null null d= 3.9
assi (( resid 49 and name HB2
))
(( resid 50 and name HN
))
3.27 1.90 1.90
! peak number h 707 F1= 6.801 F2= 7.589 null null d= 3.8
assi (( resid 49 and name HD21
))
(( resid 49 and name HD22
))
2.92 1.77 1.77
! peak number h 1550 F1= 7.596 F2= 2.905 null null d= 5.6
assi (( resid 49 and name HD22) or ( resid 121 and name HN
))
(( resid 99 and name HB2) or ( resid 49 and name HB2
))
4.31 3.92 3.92
! peak number n 607 F1= 8.273 F2= 7.361 null null d= 5.0
assi (( resid 49 and name HN
))
(( resid 50 and name HN
))
4.19 1.25 1.25
! peak number c 167 F1= 7.402 F2= 3.855 null null d= 5.7
assi (( resid 49 and name HN
))
(( resid 51 and name HA
))
4.33 1.43 1.43
! peak number h 88 F1= 1.377 F2= 7.332 null null d= 5.5
assi (( resid 49 and name HN) or ( resid 117 and name HD*
))
(( resid 59 and name HE*) or ( resid 51 and name HB1
))
4.23 3.78 3.78
! peak number c 539 F1= 4.732 F2= 2.935 null null d= 4.3
assi (( resid 50 and name HA
))
(( resid 50 and name HB1
))
3.27 2.31 2.31
! peak number c 540 F1= 4.690 F2= 2.633 null null d= 4.1
assi (( resid 50 and name HA
))
(( resid 50 and name HB2
))
3.11 2.10 2.10
! peak number n 606 F1= 4.659 F2= 7.895 null null d= 3.5
assi (( resid 50 and name HA
))
(( resid 51 and name HN
))
2.93 0.88 0.88
! peak number c 193 F1= 2.640 F2= 2.949 null null d= 3.9
assi (( resid 50 and name HB1
))
(( resid 50 and name HB2
))
2.96 1.90 1.90
! peak number c 199 F1= 8.316 F2= 2.942 null null d= 5.0
assi (( resid 50 and name HB1
))
(( resid 50 and name HN
))
3.80 3.12 3.12
! peak number c 352 F1= 8.280 F2= 2.633 null null d= 4.7
assi (( resid 50 and name HB2
))
(( resid 50 and name HN
))
3.57 2.72 2.72
! peak number n 465 F1= 2.620 F2= 7.891 null null d= 3.7
assi (( resid 50 and name HB2
))
(( resid 51 and name HN
))
3.10 1.71 1.71
! peak number n 455 F1= 7.924 F2= 8.256 null null d= 4.4
assi (( resid 50 and name HN
))
(( resid 51 and name HN
))
3.69 1.10 1.10
! peak number c 543 F1= 3.864 F2= 1.416 null null d= 4.4
assi (( resid 51 and name HA
))
(( resid 51 and name HB1
))
3.34 2.46 2.46
! peak number c 544 F1= 3.864 F2= 1.558 null null d= 4.5
assi (( resid 51 and name HA
))
(( resid 51 and name HB2
))
3.42 2.49 2.49
! peak number c 545 F1= 3.871 F2= 1.561 null null d= 4.6
assi (( resid 51 and name HA
))
(( resid 51 and name HD*
))
3.49 2.64 2.64
! peak number c 546 F1= 3.837 F2= 1.152 null null d= 4.8
assi (( resid 51 and name HA
))
(( resid 51 and name HG*
))
3.65 2.88 2.88
! peak number h 1171 F1= 7.893 F2= 3.816 null null d= 4.6
assi (( resid 51 and name HA
))
(( resid 51 and name HN
))
3.54 1.15 1.15
! peak number h 741 F1= 8.895 F2= 3.818 null null d= 5.9
assi (( resid 51 and name HA
))
(( resid 52 and name HN
))
4.54 1.48 1.48
! peak number c 555 F1= 1.126 F2= 1.416 null null d= 4.4
assi (( resid 51 and name HB1
))
(( resid 51 and name HG*
))
3.34 2.42 2.42
! peak number c 188 F1= 7.926 F2= 1.421 null null d= 5.1
assi (( resid 51 and name HB1
))
(( resid 51 and name HN
))
3.87 3.29 3.29
! peak number c 556 F1= 1.160 F2= 1.558 null null d= 4.1
assi (( resid 51 and name HB2
))
(( resid 51 and name HG*
))
3.11 2.10 2.10
! peak number c 187 F1= 7.926 F2= 1.565 null null d= 4.7
assi (( resid 51 and name HB2
))
(( resid 51 and name HN
))
3.57 2.76 2.76
! peak number c 359 F1= 8.874 F2= 1.565 null null d= 5.7
assi (( resid 51 and name HB2
))
(( resid 54 and name HN
))
4.33 4.06 4.06
! peak number c 170 F1= 1.536 F2= 5.118 null null d= 5.6
assi (( resid 51 and name HB2) or ( resid 100 and name HE*
))
(( resid 52 and name HA
))
4.25 3.92 3.92
! peak number c 551 F1= 1.539 F2= 2.930 null null d= 3.9
assi (( resid 51 and name HD*
))
(( resid 51 and name HE*
))
2.96 1.90 1.90
! peak number c 190 F1= 1.158 F2= 1.568 null null d= 3.7
assi (( resid 51 and name HD*
))
(( resid 51 and name HG*
))
2.81 1.71 1.71
! peak number c 552 F1= 1.566 F2= 1.150 null null d= 3.5
assi (( resid 51 and name HD*) or ( resid 51 and name HB2
))
(( resid 51 and name HG*
))
2.66 1.53 1.53
! peak number h 1106 F1= 7.893 F2= 1.506 null null d= 4.9
assi (( resid 51 and name HD*) or ( resid 51 and name HB2
))
(( resid 51 and name HN
))
3.77 3.06 3.06
! peak number c 553 F1= 2.918 F2= 1.150 null null d= 4.5
assi (( resid 51 and name HE*
))
(( resid 51 and name HG*
))
3.42 2.48 2.48
! peak number h 1127 F1= 7.893 F2= 2.903 null null d= 5.6
assi (( resid 51 and name HE*) or ( resid 49 and name HB2
))
(( resid 51 and name HN
))
4.31 3.92 3.92
! peak number c 189 F1= 7.934 F2= 1.148 null null d= 4.6
assi (( resid 51 and name HG*
))
(( resid 51 and name HN
))
3.49 2.67 2.67
! peak number h 953 F1= 6.825 F2= 1.108 null null d= 5.3
assi (( resid 51 and name HG*
))
(( resid 52 and name HD2
))
4.08 3.51 3.51
! peak number n 459 F1= 3.046 F2= 7.898 null null d= 4.2
assi (( resid 51 and name HN
))
(( resid 52 and name HB2
))
3.52 2.21 2.21
! peak number c 560 F1= 5.116 F2= 3.474 null null d= 5.1
assi (( resid 52 and name HA
))
(( resid 52 and name HB1
))
3.87 3.21 3.21
! peak number h 1217 F1= 6.827 F2= 5.061 null null d= 5.8
assi (( resid 52 and name HA
))
(( resid 52 and name HD2
))
4.46 4.21 4.21
! peak number c 568 F1= 8.913 F2= 5.113 null null d= 5.4
assi (( resid 52 and name HA
))
(( resid 52 and name HN
))
4.10 1.35 1.35
! peak number h 1221 F1= 7.606 F2= 5.063 null null d= 5.2
assi (( resid 52 and name HA
))
(( resid 53 and name HN
))
4.00 1.30 1.30
! peak number c 561 F1= 3.051 F2= 5.120 null null d= 4.7
assi (( resid 52 and name HA
))
(( resid 55 and name HB2) or ( resid 52 and name HB2
))
3.57 2.76 2.76
! peak number h 1222 F1= 7.057 F2= 5.063 null null d= 6.4
assi (( resid 52 and name HA
))
(( resid 55 and name HD*
))
4.93 5.12 5.12
! peak number c 457 F1= 8.128 F2= 5.110 null null d= 5.4
assi (( resid 52 and name HA
))
(( resid 55 and name HN
))
4.10 1.36 1.36
! peak number c 171 F1= 2.053 F2= 5.118 null null d= 5.6
assi (( resid 52 and name HA
))
(( resid 56 and name HB2
))
4.25 3.92 3.92
! peak number c 169 F1= 0.811 F2= 5.123 null null d= 5.5
assi (( resid 52 and name HA
))
(( resid 56 and name HD2*) or ( resid 47 and name HD1*
))
4.18 3.78 3.78
! peak number c 563 F1= 3.065 F2= 3.486 null null d= 4.4
assi (( resid 52 and name HB1
))
(( resid 52 and name HB2
))
3.34 2.42 2.42
! peak number h 1219 F1= 6.827 F2= 3.437 null null d= 5.5
assi (( resid 52 and name HB1
))
(( resid 52 and name HD2
))
4.23 3.78 3.78
! peak number h 1218 F1= 6.829 F2= 3.027 null null d= 4.8
assi (( resid 52 and name HB2
))
(( resid 52 and name HD2
))
3.69 2.88 2.88
! peak number h 1136 F1= 8.901 F2= 3.036 null null d= 5.7
assi (( resid 52 and name HB2
))
(( resid 52 and name HN
))
4.39 4.06 4.06
! peak number n 219 F1= 3.023 F2= 7.632 null null d= 4.4
assi (( resid 52 and name HB2
))
(( resid 53 and name HN
))
3.69 2.42 2.42
! peak number h 685 F1= 6.829 F2= 8.892 null null d= 5.5
assi (( resid 52 and name HD2
))
(( resid 52 and name HN
))
4.23 3.78 3.78
! peak number h 698 F1= 7.600 F2= 8.899 null null d= 5.0
assi (( resid 52 and name HN
))
(( resid 53 and name HN
))
3.85 1.24 1.24
! peak number c 191 F1= 8.922 F2= 2.131 null null d= 4.9
assi (( resid 52 and name HN
))
(( resid 54 and name HB*
))
3.72 3.00 3.00
! peak number n 241 F1= 9.001 F2= 8.131 null null d= 4.7
assi (( resid 52 and name HN
))
(( resid 55 and name HN
))
3.94 1.18 1.18
! peak number c 570 F1= 4.124 F2= 2.817 null null d= 5.0
assi (( resid 53 and name HA
))
(( resid 53 and name HB1
))
3.80 3.12 3.12
! peak number c 569 F1= 4.137 F2= 2.606 null null d= 5.0
assi (( resid 53 and name HA
))
(( resid 53 and name HB2
))
3.80 3.06 3.06
! peak number h 1445 F1= 7.603 F2= 4.118 null null d= 4.5
assi (( resid 53 and name HA
))
(( resid 53 and name HN
))
3.46 1.11 1.11
! peak number n 438 F1= 4.131 F2= 8.889 null null d= 4.3
assi (( resid 53 and name HA
))
(( resid 54 and name HN
))
3.60 1.07 1.07
! peak number c 121 F1= 0.834 F2= 4.145 null null d= 4.2
assi (( resid 53 and name HA
))
(( resid 56 and name HD2*
))
3.19 2.21 2.21
! peak number c 892 F1= 8.837 F2= 4.145 null null d= 4.8
assi (( resid 53 and name HA
))
(( resid 56 and name HN) or ( resid 54 and name HN
))
3.65 2.88 2.88
! peak number h 1114 F1= 7.602 F2= 2.775 null null d= 4.5
assi (( resid 53 and name HB1
))
(( resid 53 and name HN
))
3.46 2.59 2.59
! peak number n 434 F1= 2.792 F2= 8.885 null null d= 4.1
assi (( resid 53 and name HB1
))
(( resid 54 and name HN
))
3.44 2.10 2.10
! peak number h 1447 F1= 7.602 F2= 2.561 null null d= 4.5
assi (( resid 53 and name HB2
))
(( resid 53 and name HN
))
3.46 2.48 2.48
! peak number h 596 F1= 2.570 F2= 2.065 null null d= 4.5
assi (( resid 53 and name HB2
))
(( resid 54 and name HB*
))
3.46 2.53 2.53
! peak number n 433 F1= 2.614 F2= 8.887 null null d= 4.2
assi (( resid 53 and name HB2
))
(( resid 54 and name HN
))
3.52 2.21 2.21
! peak number h 1509 F1= 7.608 F2= 2.332 null null d= 5.6
assi (( resid 53 and name HN
))
(( resid 54 and name HG1
))
4.31 3.92 3.92
! peak number n 436 F1= 7.649 F2= 8.895 null null d= 4.2
assi (( resid 53 and name HN
))
(( resid 54 and name HN
))
3.52 1.05 1.05
! peak number n 463 F1= 1.200 F2= 7.641 null null d= 4.5
assi (( resid 53 and name HN
))
(( resid 56 and name HB1) or ( resid 47 and name HG2*
))
3.77 2.53 2.53
! peak number c 576 F1= 4.017 F2= 2.116 null null d= 4.2
assi (( resid 54 and name HA
))
(( resid 54 and name HB*
))
3.19 2.24 2.24
! peak number c 577 F1= 4.033 F2= 2.367 null null d= 4.8
assi (( resid 54 and name HA
))
(( resid 54 and name HG1
))
3.65 2.88 2.88
! peak number c 575 F1= 4.019 F2= 2.287 null null d= 4.5
assi (( resid 54 and name HA
))
(( resid 54 and name HG2
))
3.42 2.59 2.59
! peak number c 360 F1= 8.878 F2= 4.027 null null d= 5.1
assi (( resid 54 and name HA
))
(( resid 54 and name HN
))
3.87 1.27 1.27
! peak number h 247 F1= 3.994 F2= 8.100 null null d= 4.5
assi (( resid 54 and name HA
))
(( resid 55 and name HN
))
3.46 1.12 1.12
! peak number c 42 F1= 4.014 F2= 4.370 null null d= 4.7
assi (( resid 54 and name HA
))
(( resid 57 and name HB
))
3.57 2.76 2.76
! peak number h 236 F1= 3.979 F2= 1.235 null null d= 4.9
assi (( resid 54 and name HA
))
(( resid 57 and name HG2*
))
3.77 3.06 3.06
! peak number h 273 F1= 3.975 F2= 8.388 null null d= 5.1
assi (( resid 54 and name HA
))
(( resid 57 and name HN
))
3.93 1.26 1.26
! peak number c 578 F1= 2.065 F2= 4.025 null null d= 4.1
assi (( resid 54 and name HA
))
(( resid 58 and name HB*
))
3.11 2.10 2.10
! peak number h 1155 F1= 8.852 F2= 2.069 null null d= 4.4
assi (( resid 54 and name HB*
))
(( resid 54 and name HN
))
3.39 2.42 2.42
! peak number c 192 F1= 8.135 F2= 2.126 null null d= 4.5
assi (( resid 54 and name HB*
))
(( resid 55 and name HN
))
3.42 2.50 2.50
! peak number h 591 F1= 2.308 F2= 2.065 null null d= 3.8
assi (( resid 54 and name HB*
))
(( resid 58 and name HG2
))
2.92 1.80 1.80
! peak number h 485 F1= 2.316 F2= 2.235 null null d= 3.4
assi (( resid 54 and name HG1
))
(( resid 54 and name HG2
))
2.62 1.44 1.44
! peak number n 432 F1= 2.377 F2= 8.885 null null d= 4.1
assi (( resid 54 and name HG1
))
(( resid 54 and name HN
))
3.44 2.10 2.10
! peak number c 354 F1= 7.146 F2= 2.370 null null d= 4.9
assi (( resid 54 and name HG1
))
(( resid 55 and name HD*
))
3.72 3.00 3.00
! peak number n 240 F1= 2.377 F2= 8.129 null null d= 4.5
assi (( resid 54 and name HG1
))
(( resid 55 and name HN
))
3.77 2.53 2.53
! peak number n 243 F1= 2.241 F2= 8.885 null null d= 4.0
assi (( resid 54 and name HG2
))
(( resid 54 and name HN
))
3.35 2.00 2.00
! peak number n 244 F1= 2.241 F2= 8.131 null null d= 4.2
assi (( resid 54 and name HG2
))
(( resid 55 and name HN
))
3.52 2.21 2.21
! peak number n 435 F1= 8.126 F2= 8.892 null null d= 4.1
assi (( resid 54 and name HN
))
(( resid 55 and name HN
))
3.44 1.02 1.02
! peak number n 445 F1= 1.210 F2= 8.885 null null d= 4.9
assi (( resid 54 and name HN
))
(( resid 56 and name HB1
))
4.11 3.00 3.00
! peak number n 439 F1= 0.796 F2= 8.887 null null d= 4.5
assi (( resid 54 and name HN
))
(( resid 56 and name HD2*
))
3.77 2.53 2.53
! peak number c 581 F1= 4.417 F2= 3.383 null null d= 4.9
assi (( resid 55 and name HA
))
(( resid 55 and name HB1
))
3.72 3.00 3.00
! peak number c 582 F1= 3.070 F2= 4.424 null null d= 4.9
assi (( resid 55 and name HA
))
(( resid 55 and name HB2
))
3.72 3.00 3.00
! peak number h 1233 F1= 6.630 F2= 4.377 null null d= 5.7
assi (( resid 55 and name HA
))
(( resid 55 and name HE*
))
4.39 4.06 4.06
! peak number c 165 F1= 8.135 F2= 4.421 null null d= 4.8
assi (( resid 55 and name HA
))
(( resid 55 and name HN
))
3.65 1.20 1.20
! peak number c 149 F1= 3.852 F2= 4.421 null null d= 4.8
assi (( resid 55 and name HA
))
(( resid 57 and name HA) or ( resid 51 and name HA
))
3.65 2.88 2.88
! peak number c 157 F1= 7.108 F2= 4.421 null null d= 4.7
assi (( resid 55 and name HA
))
(( resid 58 and name HN) or ( resid 55 and name HD*
))
3.57 2.80 2.80
! peak number c 584 F1= 3.071 F2= 3.383 null null d= 4.1
assi (( resid 55 and name HB1
))
(( resid 55 and name HB2
))
3.11 2.10 2.10
! peak number c 287 F1= 7.123 F2= 3.388 null null d= 4.7
assi (( resid 55 and name HB1
))
(( resid 55 and name HD*
))
3.57 2.72 2.72
! peak number h 1237 F1= 6.632 F2= 3.346 null null d= 5.4
assi (( resid 55 and name HB1
))
(( resid 55 and name HE*
))
4.16 3.65 3.65
! peak number h 1245 F1= 8.113 F2= 3.346 null null d= 4.3
assi (( resid 55 and name HB1
))
(( resid 55 and name HN
))
3.31 2.31 2.31
! peak number c 108 F1= 8.813 F2= 3.387 null null d= 5.5
assi (( resid 55 and name HB1
))
(( resid 56 and name HN
))
4.18 3.74 3.74
! peak number c 446 F1= 2.196 F2= 3.383 null null d= 5.4
assi (( resid 55 and name HB1
))
(( resid 59 and name HG1
))
4.10 3.65 3.65
! peak number c 445 F1= 2.045 F2= 3.385 null null d= 5.6
assi (( resid 55 and name HB1
))
(( resid 59 and name HG2) or ( resid 58 and name HB*) or ( resid 56 and name HB2
))
4.25 3.92 3.92
! peak number h 1226 F1= 7.059 F2= 3.019 null null d= 4.4
assi (( resid 55 and name HB2
))
(( resid 55 and name HD*
))
3.39 2.42 2.42
! peak number h 1236 F1= 6.631 F2= 3.019 null null d= 5.0
assi (( resid 55 and name HB2
))
(( resid 55 and name HE*
))
3.85 3.12 3.12
! peak number c 38 F1= 8.150 F2= 3.089 null null d= 4.4
assi (( resid 55 and name HB2
))
(( resid 55 and name HN
))
3.34 2.38 2.38
! peak number c 286 F1= 8.798 F2= 3.067 null null d= 5.2
assi (( resid 55 and name HB2
))
(( resid 56 and name HN
))
3.95 3.42 3.42
! peak number c 443 F1= 2.192 F2= 3.062 null null d= 5.1
assi (( resid 55 and name HB2
))
(( resid 59 and name HG1) or ( resid 58 and name HG1
))
3.87 3.25 3.25
! peak number c 444 F1= 2.045 F2= 3.064 null null d= 5.1
assi (( resid 55 and name HB2
))
(( resid 59 and name HG2) or ( resid 58 and name HB*) or ( resid 56 and name HB2
))
3.87 3.25 3.25
! peak number c 40 F1= 3.037 F2= 1.239 null null d= 4.8
assi (( resid 55 and name HB2) or ( resid 52 and name HB2
))
(( resid 56 and name HB1
))
3.65 2.88 2.88
! peak number h 1228 F1= 7.062 F2= 6.634 null null d= 3.5
assi (( resid 55 and name HD*
))
(( resid 55 and name HE*
))
2.69 1.58 1.58
! peak number c 310 F1= 7.131 F2= 3.748 null null d= 5.2
assi (( resid 55 and name HD*
))
(( resid 56 and name HA
))
3.95 3.38 3.38
! peak number c 159 F1= 7.138 F2= 4.322 null null d= 4.7
assi (( resid 55 and name HD*
))
(( resid 59 and name HA
))
3.57 2.76 2.76
! peak number h 720 F1= 0.699 F2= 6.631 null null d= 5.6
assi (( resid 55 and name HE*
))
(( resid 56 and name HD1*
))
4.31 3.92 3.92
! peak number h 684 F1= 6.628 F2= 8.772 null null d= 5.9
assi (( resid 55 and name HE*
))
(( resid 56 and name HN
))
4.54 4.35 4.35
! peak number h 1234 F1= 6.632 F2= 1.377 null null d= 4.8
assi (( resid 55 and name HE*
))
(( resid 59 and name HE*
))
3.69 2.94 2.94
! peak number h 995 F1= 6.632 F2= 2.145 null null d= 5.7
assi (( resid 55 and name HE*
))
(( resid 59 and name HG1
))
4.39 4.06 4.06
! peak number h 991 F1= 6.634 F2= 2.009 null null d= 5.3
assi (( resid 55 and name HE*
))
(( resid 59 and name HG2
))
4.08 3.51 3.51
! peak number h 1239 F1= 6.632 F2= 1.235 null null d= 5.4
assi (( resid 55 and name HE*
))
(( resid 96 and name HB*
))
4.16 3.65 3.65
! peak number c 589 F1= 8.118 F2= 2.027 null null d= 5.8
assi (( resid 55 and name HN
))
(( resid 56 and name HB2
))
4.41 4.21 4.21
! peak number h 794 F1= 8.113 F2= 8.765 null null d= 4.9
assi (( resid 55 and name HN
))
(( resid 56 and name HN
))
3.77 1.22 1.22
! peak number h 1246 F1= 8.114 F2= 7.059 null null d= 4.7
assi (( resid 55 and name HN
))
(( resid 58 and name HN) or ( resid 55 and name HD*
))
3.62 2.80 2.80
! peak number c 115 F1= 8.166 F2= 3.383 null null d= 4.6
assi (( resid 55 and name HN) or ( resid 100 and name HN
))
(( resid 99 and name HB1) or ( resid 55 and name HB1
))
3.49 2.64 2.64
! peak number c 591 F1= 3.757 F2= 1.239 null null d= 4.7
assi (( resid 56 and name HA
))
(( resid 56 and name HB1
))
3.57 2.76 2.76
! peak number c 592 F1= 3.748 F2= 2.023 null null d= 5.4
assi (( resid 56 and name HA
))
(( resid 56 and name HB2
))
4.10 3.65 3.65
! peak number c 601 F1= 0.760 F2= 3.750 null null d= 4.2
assi (( resid 56 and name HA
))
(( resid 56 and name HD1*
))
3.19 2.21 2.21
! peak number c 604 F1= 2.119 F2= 3.756 null null d= 4.8
assi (( resid 56 and name HA
))
(( resid 56 and name HG) or ( resid 100 and name HB1
))
3.65 2.88 2.88
! peak number c 610 F1= 3.756 F2= 1.464 null null d= 5.4
assi (( resid 56 and name HA
))
(( resid 59 and name HB1
))
4.10 3.65 3.65
! peak number c 33 F1= 3.756 F2= 1.561 null null d= 5.3
assi (( resid 56 and name HA
))
(( resid 59 and name HB2
))
4.03 3.51 3.51
! peak number c 619 F1= 8.398 F2= 3.740 null null d= 5.2
assi (( resid 56 and name HA
))
(( resid 59 and name HN) or ( resid 57 and name HN
))
3.95 3.38 3.38
! peak number n 50 F1= 3.718 F2= 8.803 null null d= 4.4
assi (( resid 56 and name HA
))
(( resid 60 and name HN
))
3.69 1.10 1.10
! peak number h 1252 F1= 8.769 F2= 3.703 null null d= 5.1
assi (( resid 56 and name HA
))
(( resid 96 and name HN) or ( resid 56 and name HN
))
3.93 3.25 3.25
! peak number c 816 F1= 7.993 F2= 3.749 null null d= 5.3
assi (( resid 56 and name HA
))
(( resid 99 and name HN) or ( resid 98 and name HN
))
4.03 3.51 3.51
! peak number c 598 F1= 1.261 F2= 2.025 null null d= 4.8
assi (( resid 56 and name HB1
))
(( resid 56 and name HB2
))
3.65 2.82 2.82
! peak number c 597 F1= 1.265 F2= 0.739 null null d= 3.7
assi (( resid 56 and name HB1
))
(( resid 56 and name HD1*
))
2.81 1.71 1.71
! peak number c 418 F1= 1.214 F2= 0.819 null null d= 4.2
assi (( resid 56 and name HB1
))
(( resid 56 and name HD2*
))
3.19 2.26 2.26
! peak number c 606 F1= 8.806 F2= 1.243 null null d= 5.4
assi (( resid 56 and name HB1
))
(( resid 96 and name HN) or ( resid 56 and name HN
))
4.10 3.65 3.65
! peak number n 532 F1= 1.220 F2= 8.017 null null d= 4.7
assi (( resid 56 and name HB1
))
(( resid 98 and name HN
))
3.94 2.76 2.76
! peak number c 603 F1= 0.824 F2= 2.025 null null d= 4.5
assi (( resid 56 and name HB2
))
(( resid 56 and name HD2*
))
3.42 2.53 2.53
! peak number c 309 F1= 8.814 F2= 2.023 null null d= 5.1
assi (( resid 56 and name HB2
))
(( resid 56 and name HN
))
3.87 3.21 3.21
! peak number c 571 F1= 4.126 F2= 2.023 null null d= 5.4
assi (( resid 56 and name HB2
))
(( resid 96 and name HA) or ( resid 53 and name HA
))
4.10 3.65 3.65
! peak number c 605 F1= 2.119 F2= 0.737 null null d= 3.8
assi (( resid 56 and name HD1*
))
(( resid 56 and name HG
))
2.88 1.80 1.80
! peak number c 607 F1= 8.799 F2= 0.735 null null d= 4.7
assi (( resid 56 and name HD1*
))
(( resid 56 and name HN
))
3.57 2.80 2.80
! peak number h 124 F1= 0.701 F2= 7.059 null null d= 5.0
assi (( resid 56 and name HD1*
))
(( resid 58 and name HN) or ( resid 55 and name HD*
))
3.85 3.12 3.12
! peak number h 618 F1= 0.708 F2= 3.730 null null d= 4.4
assi (( resid 56 and name HD1*
))
(( resid 93 and name HA
))
3.39 2.42 2.42
! peak number c 593 F1= 3.751 F2= 0.737 null null d= 3.8
assi (( resid 56 and name HD1*
))
(( resid 93 and name HA) or ( resid 56 and name HA
))
2.88 1.80 1.80
! peak number c 718 F1= 0.777 F2= 1.287 null null d= 3.8
assi (( resid 56 and name HD1*
))
(( resid 96 and name HB*
))
2.88 1.77 1.77
! peak number n 304 F1= 0.726 F2= 8.816 null null d= 3.9
assi (( resid 56 and name HD1*
))
(( resid 96 and name HN
))
3.27 1.90 1.90
! peak number c 719 F1= 0.780 F2= 2.220 null null d= 4.9
assi (( resid 56 and name HD1*
))
(( resid 97 and name HB1
))
3.72 3.00 3.00
! peak number c 720 F1= 0.780 F2= 2.271 null null d= 4.7
assi (( resid 56 and name HD1*
))
(( resid 97 and name HB2
))
3.57 2.76 2.76
! peak number h 813 F1= 6.856 F2= 0.704 null null d= 5.0
assi (( resid 56 and name HD1*
))
(( resid 97 and name HE21
))
3.85 3.06 3.06
! peak number n 610 F1= 0.722 F2= 7.591 null null d= 4.3
assi (( resid 56 and name HD1*
))
(( resid 97 and name HE22
))
3.60 2.31 2.31
! peak number c 270 F1= 0.757 F2= 2.331 null null d= 5.0
assi (( resid 56 and name HD1*
))
(( resid 97 and name HG1
))
3.80 3.12 3.12
! peak number h 864 F1= 2.215 F2= 0.703 null null d= 4.8
assi (( resid 56 and name HD1*
))
(( resid 97 and name HG2) or ( resid 97 and name HB2
))
3.69 2.88 2.88
! peak number h 1073 F1= 8.442 F2= 0.707 null null d= 5.1
assi (( resid 56 and name HD1*
))
(( resid 97 and name HN
))
3.93 3.21 3.21
! peak number h 218 F1= 3.936 F2= 0.697 null null d= 4.5
assi (( resid 56 and name HD1*) or ( resid 113 and name HG1*
))
(( resid 97 and name HA) or ( resid 113 and name HA
))
3.46 2.53 2.53
! peak number h 461 F1= 0.700 F2= 2.089 null null d= 4.3
assi (( resid 56 and name HD1*) or ( resid 121 and name HG1*
))
(( resid 56 and name HG) or ( resid 117 and name HB1
))
3.31 2.31 2.31
! peak number c 211 F1= 0.755 F2= 4.088 null null d= 4.8
assi (( resid 56 and name HD1*) or ( resid 121 and name HG1*) or ( resid 121 and name HD1*
))
(( resid 96 and name HA
))
3.65 2.88 2.88
! peak number c 264 F1= 0.763 F2= 2.273 null null d= 5.0
assi (( resid 56 and name HD1*) or ( resid 47 and name HD1*
))
(( resid 97 and name HG2
))
3.80 3.12 3.12
! peak number c 419 F1= 2.115 F2= 0.823 null null d= 4.4
assi (( resid 56 and name HD2*
))
(( resid 56 and name HG
))
3.34 2.42 2.42
! peak number c 608 F1= 8.812 F2= 0.817 null null d= 4.8
assi (( resid 56 and name HD2*
))
(( resid 56 and name HN
))
3.65 2.84 2.84
! peak number h 1248 F1= 1.234 F2= 0.761 null null d= 4.6
assi (( resid 56 and name HD2*
))
(( resid 57 and name HG2*
))
3.54 2.64 2.64
! peak number h 1231 F1= 7.060 F2= 0.769 null null d= 5.3
assi (( resid 56 and name HD2*
))
(( resid 58 and name HN
))
4.08 3.58 3.58
! peak number c 34 F1= 0.813 F2= 1.565 null null d= 5.1
assi (( resid 56 and name HD2*
))
(( resid 59 and name HB2
))
3.87 3.25 3.25
! peak number c 261 F1= 3.644 F2= 0.821 null null d= 4.7
assi (( resid 56 and name HD2*
))
(( resid 89 and name HA) or ( resid 61 and name HD2) or ( resid 60 and name HA
))
3.57 2.76 2.76
! peak number c 132 F1= 0.780 F2= 3.790 null null d= 4.5
assi (( resid 56 and name HD2*
))
(( resid 93 and name HA
))
3.42 2.48 2.48
! peak number c 717 F1= 0.792 F2= 1.364 null null d= 3.3
assi (( resid 56 and name HD2*
))
(( resid 93 and name HB*
))
2.50 1.36 1.36
! peak number n 210 F1= 0.807 F2= 8.488 null null d= 4.2
assi (( resid 56 and name HD2*
))
(( resid 97 and name HN
))
3.52 2.21 2.21
! peak number h 368 F1= 2.168 F2= 0.763 null null d= 5.0
assi (( resid 56 and name HD2*) or ( resid 47 and name HD1*
))
(( resid 97 and name HB1
))
3.85 3.12 3.12
! peak number n 208 F1= 0.803 F2= 6.871 null null d= 4.1
assi (( resid 56 and name HD2*) or ( resid 47 and name HD1*
))
(( resid 97 and name HE21
))
3.44 2.10 2.10
! peak number n 209 F1= 0.809 F2= 7.591 null null d= 4.1
assi (( resid 56 and name HD2*) or ( resid 47 and name HD1*
))
(( resid 97 and name HE22
))
3.44 2.10 2.10
! peak number c 213 F1= 0.788 F2= 3.991 null null d= 4.2
assi (( resid 56 and name HD2*) or ( resid 47 and name HD1*) or ( resid 45 and name HD2*) or ( resid 45 and name HD1*
))
(( resid 97 and name HA) or ( resid 46 and name HA
))
3.19 2.21 2.21
! peak number n 213 F1= 2.087 F2= 8.741 null null d= 4.3
assi (( resid 56 and name HG
))
(( resid 56 and name HN
))
3.60 2.31 2.31
! peak number c 312 F1= 8.421 F2= 2.145 null null d= 4.8
assi (( resid 56 and name HG
))
(( resid 57 and name HN
))
3.65 2.82 2.82
! peak number c 588 F1= 7.106 F2= 2.142 null null d= 5.4
assi (( resid 56 and name HG
))
(( resid 58 and name HN
))
4.10 3.65 3.65
! peak number c 41 F1= 3.473 F2= 2.143 null null d= 5.4
assi (( resid 56 and name HG
))
(( resid 61 and name HD1) or ( resid 52 and name HB1
))
4.10 3.65 3.65
! peak number c 131 F1= 2.145 F2= 3.784 null null d= 5.4
assi (( resid 56 and name HG
))
(( resid 93 and name HA
))
4.10 3.65 3.65
! peak number h 483 F1= 1.232 F2= 2.089 null null d= 5.2
assi (( resid 56 and name HG
))
(( resid 96 and name HB*
))
4.00 3.38 3.38
! peak number c 311 F1= 1.250 F2= 2.138 null null d= 5.1
assi (( resid 56 and name HG
))
(( resid 96 and name HB*) or ( resid 56 and name HB1
))
3.87 3.25 3.25
! peak number c 609 F1= 8.806 F2= 2.142 null null d= 5.2
assi (( resid 56 and name HG
))
(( resid 96 and name HN) or ( resid 56 and name HN
))
3.95 3.42 3.42
! peak number h 378 F1= 2.223 F2= 2.071 null null d= 3.8
assi (( resid 56 and name HG
))
(( resid 97 and name HG2
))
2.92 1.80 1.80
! peak number h 1232 F1= 7.058 F2= 2.077 null null d= 4.6
assi (( resid 56 and name HG) or ( resid 54 and name HB*
))
(( resid 58 and name HN
))
3.54 2.64 2.64
! peak number c 39 F1= 2.131 F2= 3.383 null null d= 5.4
assi (( resid 56 and name HG) or ( resid 54 and name HB*) or ( resid 117 and name HB1) or ( resid 100 and name HB1
))
(( resid 99 and name HB1) or ( resid 55 and name HB1
))
4.10 3.65 3.65
! peak number h 896 F1= 8.770 F2= 8.396 null null d= 4.8
assi (( resid 56 and name HN
))
(( resid 57 and name HN
))
3.69 1.20 1.20
! peak number h 1251 F1= 8.765 F2= 7.059 null null d= 5.2
assi (( resid 56 and name HN
))
(( resid 58 and name HN) or ( resid 55 and name HD*
))
4.00 3.34 3.34
! peak number n 214 F1= 1.313 F2= 8.743 null null d= 4.6
assi (( resid 56 and name HN
))
(( resid 96 and name HB*
))
3.86 2.64 2.64
! peak number c 613 F1= 3.850 F2= 4.374 null null d= 4.9
assi (( resid 57 and name HA
))
(( resid 57 and name HB
))
3.72 3.06 3.06
! peak number c 614 F1= 3.831 F2= 1.283 null null d= 4.2
assi (( resid 57 and name HA
))
(( resid 57 and name HG2*
))
3.19 2.20 2.20
! peak number c 620 F1= 8.426 F2= 3.843 null null d= 4.7
assi (( resid 57 and name HA
))
(( resid 57 and name HN
))
3.57 1.18 1.18
! peak number c 164 F1= 0.896 F2= 3.839 null null d= 4.3
assi (( resid 57 and name HA
))
(( resid 95 and name HB*
))
3.27 2.31 2.31
! peak number c 616 F1= 4.383 F2= 1.281 null null d= 4.2
assi (( resid 57 and name HB
))
(( resid 57 and name HG2*
))
3.19 2.21 2.21
! peak number c 621 F1= 8.440 F2= 4.378 null null d= 4.5
assi (( resid 57 and name HB
))
(( resid 57 and name HN
))
3.42 2.53 2.53
! peak number c 631 F1= 7.092 F2= 4.381 null null d= 5.4
assi (( resid 57 and name HB
))
(( resid 58 and name HN
))
4.10 3.71 3.71
! peak number c 626 F1= 2.053 F2= 4.376 null null d= 5.4
assi (( resid 57 and name HB
))
(( resid 61 and name HG2) or ( resid 58 and name HB*
))
4.10 3.65 3.65
! peak number h 274 F1= 4.324 F2= 8.394 null null d= 5.2
assi (( resid 57 and name HB) or ( resid 106 and name HA
))
(( resid 57 and name HN) or ( resid 109 and name HN
))
4.00 3.38 3.38
! peak number h 946 F1= 4.323 F2= 2.228 null null d= 5.2
assi (( resid 57 and name HB) or ( resid 106 and name HA
))
(( resid 97 and name HB2) or ( resid 102 and name HB2
))
4.00 3.38 3.38
! peak number c 622 F1= 8.460 F2= 1.283 null null d= 4.6
assi (( resid 57 and name HG2*
))
(( resid 57 and name HN
))
3.49 2.64 2.64
! peak number c 627 F1= 2.069 F2= 1.283 null null d= 4.5
assi (( resid 57 and name HG2*
))
(( resid 61 and name HG2) or ( resid 59 and name HG2) or ( resid 58 and name HB*
))
3.42 2.53 2.53
! peak number c 21 F1= 1.274 F2= 0.530 null null d= 4.3
assi (( resid 57 and name HG2*
))
(( resid 89 and name HD2*) or ( resid 89 and name HD1*
))
3.27 2.31 2.31
! peak number h 522 F1= 1.238 F2= 3.724 null null d= 4.5
assi (( resid 57 and name HG2*
))
(( resid 93 and name HA
))
3.46 2.53 2.53
! peak number c 313 F1= 0.887 F2= 1.282 null null d= 4.0
assi (( resid 57 and name HG2*
))
(( resid 95 and name HB*
))
3.04 2.00 2.00
! peak number h 690 F1= 7.057 F2= 8.390 null null d= 4.5
assi (( resid 57 and name HN
))
(( resid 58 and name HN
))
3.46 1.14 1.14
! peak number h 873 F1= 8.585 F2= 8.383 null null d= 6.0
assi (( resid 57 and name HN
))
(( resid 93 and name HN
))
4.62 1.50 1.50
! peak number c 623 F1= 4.323 F2= 2.065 null null d= 3.9
assi (( resid 58 and name HA
))
(( resid 58 and name HB*
))
2.96 1.90 1.90
! peak number c 624 F1= 4.330 F2= 2.204 null null d= 4.2
assi (( resid 58 and name HA
))
(( resid 58 and name HG1
))
3.19 2.15 2.15
! peak number c 625 F1= 4.303 F2= 2.351 null null d= 4.2
assi (( resid 58 and name HA
))
(( resid 58 and name HG2
))
3.19 2.21 2.21
! peak number h 292 F1= 4.269 F2= 7.059 null null d= 4.4
assi (( resid 58 and name HA
))
(( resid 58 and name HN
))
3.39 1.09 1.09
! peak number c 666 F1= 4.312 F2= 3.480 null null d= 5.4
assi (( resid 58 and name HA
))
(( resid 61 and name HD1
))
4.10 3.65 3.65
! peak number c 667 F1= 4.299 F2= 3.617 null null d= 5.2
assi (( resid 58 and name HA
))
(( resid 61 and name HD2
))
3.95 3.38 3.38
! peak number c 668 F1= 4.326 F2= 2.053 null null d= 4.9
assi (( resid 58 and name HA
))
(( resid 61 and name HG2
))
3.72 3.00 3.00
! peak number c 632 F1= 7.108 F2= 2.065 null null d= 3.8
assi (( resid 58 and name HB*
))
(( resid 58 and name HN
))
2.88 1.76 1.76
! peak number c 43 F1= 8.359 F2= 2.068 null null d= 4.6
assi (( resid 58 and name HB*
))
(( resid 59 and name HN
))
3.49 2.64 2.64
! peak number n 194 F1= 2.083 F2= 8.797 null null d= 4.8
assi (( resid 58 and name HB*) or ( resid 56 and name HG
))
(( resid 60 and name HN
))
4.02 2.88 2.88
! peak number h 592 F1= 2.291 F2= 2.159 null null d= 3.5
assi (( resid 58 and name HG1
))
(( resid 58 and name HG2
))
2.69 1.53 1.53
! peak number c 633 F1= 7.101 F2= 2.204 null null d= 5.3
assi (( resid 58 and name HG1
))
(( resid 58 and name HN
))
4.03 3.51 3.51
! peak number c 31 F1= 8.357 F2= 2.205 null null d= 5.5
assi (( resid 58 and name HG1
))
(( resid 59 and name HN
))
4.18 3.78 3.78
! peak number c 32 F1= 1.004 F2= 2.202 null null d= 5.2
assi (( resid 58 and name HG1
))
(( resid 62 and name HD2*) or ( resid 62 and name HD1*
))
3.95 3.38 3.38
! peak number c 634 F1= 7.114 F2= 2.351 null null d= 4.3
assi (( resid 58 and name HG2
))
(( resid 58 and name HN
))
3.27 2.37 2.37
! peak number c 37 F1= 8.360 F2= 2.351 null null d= 5.4
assi (( resid 58 and name HG2
))
(( resid 59 and name HN
))
4.10 3.65 3.65
! peak number h 595 F1= 2.295 F2= 2.015 null null d= 4.4
assi (( resid 58 and name HG2
))
(( resid 61 and name HG2
))
3.39 2.42 2.42
! peak number h 119 F1= 2.147 F2= 7.057 null null d= 5.4
assi (( resid 58 and name HN
))
(( resid 59 and name HG1) or ( resid 58 and name HG1
))
4.16 3.65 3.65
! peak number n 187 F1= 7.102 F2= 8.320 null null d= 4.2
assi (( resid 58 and name HN
))
(( resid 59 and name HN
))
3.52 1.05 1.05
! peak number h 1108 F1= 7.057 F2= 3.441 null null d= 5.4
assi (( resid 58 and name HN
))
(( resid 61 and name HD1
))
4.16 3.65 3.65
! peak number h 1229 F1= 7.060 F2= 1.233 null null d= 4.8
assi (( resid 58 and name HN
))
(( resid 96 and name HB*) or ( resid 57 and name HG2*
))
3.69 2.92 2.92
! peak number h 118 F1= 2.012 F2= 7.055 null null d= 4.6
assi (( resid 58 and name HN) or ( resid 55 and name HD*
))
(( resid 61 and name HG2) or ( resid 59 and name HG2
))
3.54 2.64 2.64
! peak number c 635 F1= 4.317 F2= 1.461 null null d= 4.5
assi (( resid 59 and name HA
))
(( resid 59 and name HB1
))
3.42 2.57 2.57
! peak number c 301 F1= 1.561 F2= 4.324 null null d= 4.5
assi (( resid 59 and name HA
))
(( resid 59 and name HB2
))
3.42 2.57 2.57
! peak number c 637 F1= 4.302 F2= 1.428 null null d= 4.6
assi (( resid 59 and name HA
))
(( resid 59 and name HE*
))
3.49 2.64 2.64
! peak number c 458 F1= 2.199 F2= 4.329 null null d= 3.8
assi (( resid 59 and name HA
))
(( resid 59 and name HG1
))
2.88 1.80 1.80
! peak number c 640 F1= 2.059 F2= 4.327 null null d= 3.6
assi (( resid 59 and name HA
))
(( resid 59 and name HG2
))
2.73 1.62 1.62
! peak number c 647 F1= 8.360 F2= 4.331 null null d= 4.5
assi (( resid 59 and name HA
))
(( resid 59 and name HN
))
3.42 1.12 1.12
! peak number c 659 F1= 8.783 F2= 4.320 null null d= 4.6
assi (( resid 59 and name HA
))
(( resid 60 and name HN
))
3.49 1.15 1.15
! peak number h 219 F1= 4.271 F2= 0.978 null null d= 4.3
assi (( resid 59 and name HA
))
(( resid 62 and name HD2*
))
3.31 2.37 2.37
! peak number c 639 F1= 1.000 F2= 4.325 null null d= 4.2
assi (( resid 59 and name HA
))
(( resid 62 and name HD2*) or ( resid 62 and name HD1*
))
3.19 2.21 2.21
! peak number c 158 F1= 6.715 F2= 4.325 null null d= 4.6
assi (( resid 59 and name HA
))
(( resid 62 and name HN
))
3.49 1.15 1.15
! peak number h 279 F1= 4.275 F2= 8.784 null null d= 5.4
assi (( resid 59 and name HA) or ( resid 58 and name HA
))
(( resid 60 and name HN
))
4.16 3.65 3.65
! peak number h 638 F1= 2.014 F2= 4.268 null null d= 4.0
assi (( resid 59 and name HA) or ( resid 58 and name HA
))
(( resid 61 and name HG2) or ( resid 59 and name HG2
))
3.08 1.95 1.95
! peak number h 519 F1= 1.232 F2= 4.266 null null d= 5.2
assi (( resid 59 and name HA) or ( resid 58 and name HA
))
(( resid 96 and name HB*) or ( resid 57 and name HG2*
))
4.00 3.38 3.38
! peak number c 644 F1= 2.185 F2= 1.456 null null d= 4.9
assi (( resid 59 and name HB1
))
(( resid 59 and name HG1
))
3.72 3.00 3.00
! peak number c 641 F1= 2.052 F2= 1.456 null null d= 4.9
assi (( resid 59 and name HB1
))
(( resid 59 and name HG2
))
3.72 3.00 3.00
! peak number c 648 F1= 8.360 F2= 1.463 null null d= 4.7
assi (( resid 59 and name HB1
))
(( resid 59 and name HN
))
3.57 2.76 2.76
! peak number h 1027 F1= 8.782 F2= 1.397 null null d= 5.7
assi (( resid 59 and name HB1
))
(( resid 60 and name HN
))
4.39 3.99 3.99
! peak number c 35 F1= 0.796 F2= 1.453 null null d= 5.3
assi (( resid 59 and name HB1
))
(( resid 63 and name HD2*) or ( resid 121 and name HD1*
))
4.03 3.51 3.51
! peak number n 46 F1= 1.452 F2= 8.201 null null d= 4.4
assi (( resid 59 and name HB1
))
(( resid 63 and name HN
))
3.69 2.42 2.42
! peak number h 1088 F1= 7.994 F2= 1.406 null null d= 5.7
assi (( resid 59 and name HB1
))
(( resid 98 and name HN
))
4.39 4.06 4.06
! peak number c 355 F1= 1.520 F2= 2.193 null null d= 4.7
assi (( resid 59 and name HB2
))
(( resid 59 and name HG1
))
3.57 2.76 2.76
! peak number c 356 F1= 1.520 F2= 2.041 null null d= 4.5
assi (( resid 59 and name HB2
))
(( resid 59 and name HG2
))
3.42 2.48 2.48
! peak number c 649 F1= 8.340 F2= 1.558 null null d= 5.0
assi (( resid 59 and name HB2
))
(( resid 59 and name HN
))
3.80 3.12 3.12
! peak number n 391 F1= 1.504 F2= 8.797 null null d= 4.6
assi (( resid 59 and name HB2
))
(( resid 60 and name HN
))
3.86 2.64 2.64
! peak number c 646 F1= 2.198 F2= 1.429 null null d= 4.2
assi (( resid 59 and name HE*
))
(( resid 59 and name HG1
))
3.19 2.15 2.15
! peak number c 643 F1= 2.046 F2= 1.429 null null d= 4.2
assi (( resid 59 and name HE*
))
(( resid 59 and name HG2
))
3.19 2.15 2.15
! peak number h 340 F1= 1.379 F2= 0.968 null null d= 5.1
assi (( resid 59 and name HE*
))
(( resid 62 and name HD2*
))
3.93 3.25 3.25
! peak number c 414 F1= 8.228 F2= 1.425 null null d= 4.9
assi (( resid 59 and name HE*
))
(( resid 63 and name HN
))
3.72 3.00 3.00
! peak number h 58 F1= 1.381 F2= 8.778 null null d= 5.7
assi (( resid 59 and name HE*
))
(( resid 96 and name HN) or ( resid 60 and name HN) or ( resid 56 and name HN
))
4.39 4.06 4.06
! peak number c 109 F1= 1.400 F2= 3.380 null null d= 5.0
assi (( resid 59 and name HE*
))
(( resid 99 and name HB1
))
3.80 3.06 3.06
! peak number c 406 F1= 7.209 F2= 1.429 null null d= 4.5
assi (( resid 59 and name HE*
))
(( resid 99 and name HD*
))
3.42 2.57 2.57
! peak number h 339 F1= 1.379 F2= 0.703 null null d= 4.3
assi (( resid 59 and name HE*) or ( resid 129 and name HB2
))
(( resid 63 and name HD2*) or ( resid 121 and name HG1*
))
3.31 2.31 2.31
! peak number h 1092 F1= 8.308 F2= 2.151 null null d= 4.8
assi (( resid 59 and name HG1
))
(( resid 59 and name HN
))
3.69 2.82 2.82
! peak number c 358 F1= 3.665 F2= 2.193 null null d= 4.5
assi (( resid 59 and name HG1
))
(( resid 60 and name HA
))
3.42 2.53 2.53
! peak number c 1062 F1= 2.207 F2= 1.287 null null d= 4.7
assi (( resid 59 and name HG1
))
(( resid 96 and name HB*
))
3.57 2.76 2.76
! peak number c 210 F1= 2.154 F2= 4.084 null null d= 5.2
assi (( resid 59 and name HG1) or ( resid 56 and name HG) or ( resid 100 and name HB1
))
(( resid 96 and name HA
))
3.95 3.38 3.38
! peak number h 1093 F1= 8.314 F2= 2.011 null null d= 4.4
assi (( resid 59 and name HG2
))
(( resid 59 and name HN
))
3.39 2.42 2.42
! peak number h 484 F1= 1.234 F2= 2.009 null null d= 4.9
assi (( resid 59 and name HG2
))
(( resid 96 and name HB*
))
3.77 3.00 3.00
! peak number h 869 F1= 8.776 F2= 8.316 null null d= 5.0
assi (( resid 59 and name HN
))
(( resid 60 and name HN
))
3.85 1.26 1.26
! peak number n 181 F1= 0.956 F2= 8.320 null null d= 4.3
assi (( resid 59 and name HN
))
(( resid 62 and name HD2*) or ( resid 62 and name HD1*) or ( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
3.60 2.31 2.31
! peak number c 654 F1= 2.425 F2= 3.653 null null d= 5.4
assi (( resid 60 and name HA
))
(( resid 60 and name HB
))
4.10 3.65 3.65
! peak number c 652 F1= 3.654 F2= 0.975 null null d= 3.9
assi (( resid 60 and name HA
))
(( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
2.96 1.90 1.90
! peak number c 660 F1= 8.814 F2= 3.653 null null d= 5.2
assi (( resid 60 and name HA
))
(( resid 60 and name HN
))
3.95 1.30 1.30
! peak number c 456 F1= 1.235 F2= 3.652 null null d= 5.1
assi (( resid 60 and name HA
))
(( resid 63 and name HB1
))
3.87 3.25 3.25
! peak number c 449 F1= 3.639 F2= 2.157 null null d= 5.6
assi (( resid 60 and name HA
))
(( resid 63 and name HB2
))
4.25 3.92 3.92
! peak number c 454 F1= -0.024 F2= 3.652 null null d= 5.6
assi (( resid 60 and name HA
))
(( resid 63 and name HD1*
))
4.25 3.92 3.92
! peak number c 653 F1= 3.643 F2= 0.751 null null d= 5.0
assi (( resid 60 and name HA
))
(( resid 63 and name HD2*
))
3.80 3.12 3.12
! peak number c 455 F1= 1.452 F2= 3.653 null null d= 5.6
assi (( resid 60 and name HA
))
(( resid 63 and name HG
))
4.25 3.92 3.92
! peak number c 657 F1= 0.945 F2= 3.653 null null d= 3.9
assi (( resid 60 and name HA
))
(( resid 64 and name HG1*) or ( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
2.96 1.90 1.90
! peak number c 161 F1= 2.151 F2= 3.653 null null d= 5.1
assi (( resid 60 and name HA
))
(( resid 92 and name HB) or ( resid 63 and name HB2
))
3.87 3.25 3.25
! peak number c 656 F1= 2.390 F2= 0.975 null null d= 4.4
assi (( resid 60 and name HB
))
(( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
3.34 2.46 2.46
! peak number c 661 F1= 8.832 F2= 2.423 null null d= 4.9
assi (( resid 60 and name HB
))
(( resid 60 and name HN
))
3.72 3.00 3.00
! peak number c 44 F1= 3.466 F2= 2.421 null null d= 4.8
assi (( resid 60 and name HB
))
(( resid 61 and name HD1
))
3.65 2.88 2.88
! peak number c 36 F1= 3.612 F2= 2.426 null null d= 4.8
assi (( resid 60 and name HB
))
(( resid 61 and name HD2
))
3.65 2.88 2.88
! peak number c 53 F1= 2.038 F2= 2.428 null null d= 5.0
assi (( resid 60 and name HB
))
(( resid 61 and name HG2
))
3.80 3.12 3.12
! peak number h 604 F1= 2.839 F2= 2.385 null null d= 5.1
assi (( resid 60 and name HB
))
(( resid 92 and name HA
))
3.93 3.25 3.25
! peak number c 52 F1= 2.177 F2= 2.428 null null d= 4.9
assi (( resid 60 and name HB
))
(( resid 92 and name HB
))
3.72 3.00 3.00
! peak number c 658 F1= 0.951 F2= 2.425 null null d= 4.2
assi (( resid 60 and name HB
))
(( resid 92 and name HG1*) or ( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
3.19 2.21 2.21
! peak number h 56 F1= 2.384 F2= 8.769 null null d= 5.5
assi (( resid 60 and name HB
))
(( resid 96 and name HN
))
4.23 3.78 3.78
! peak number n 443 F1= 0.926 F2= 8.797 null null d= 4.2
assi (( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
(( resid 60 and name HN
))
3.52 2.21 2.21
! peak number c 662 F1= 8.817 F2= 0.974 null null d= 4.4
assi (( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
(( resid 96 and name HN) or ( resid 60 and name HN
))
3.34 2.42 2.42
! peak number c 56 F1= 8.845 F2= 3.478 null null d= 5.3
assi (( resid 60 and name HN
))
(( resid 61 and name HD1
))
4.03 3.51 3.51
! peak number c 57 F1= 8.837 F2= 3.609 null null d= 5.0
assi (( resid 60 and name HN
))
(( resid 61 and name HD2
))
3.80 3.19 3.19
! peak number n 339 F1= 3.616 F2= 8.804 null null d= 4.4
assi (( resid 60 and name HN
))
(( resid 61 and name HD2) or ( resid 60 and name HA
))
3.69 2.42 2.42
! peak number c 665 F1= 4.310 F2= 2.362 null null d= 4.3
assi (( resid 61 and name HA
))
(( resid 61 and name HB1
))
3.27 2.31 2.31
! peak number c 249 F1= 4.295 F2= 1.880 null null d= 4.4
assi (( resid 61 and name HA
))
(( resid 61 and name HB2
))
3.34 2.42 2.42
! peak number c 677 F1= 3.583 F2= 4.321 null null d= 5.4
assi (( resid 61 and name HA
))
(( resid 61 and name HD2
))
4.10 3.65 3.65
! peak number c 669 F1= 4.292 F2= 2.226 null null d= 4.4
assi (( resid 61 and name HA
))
(( resid 61 and name HG1
))
3.34 2.38 2.38
! peak number c 162 F1= 6.707 F2= 4.320 null null d= 5.2
assi (( resid 61 and name HA
))
(( resid 62 and name HN
))
3.95 1.30 1.30
! peak number c 324 F1= 8.170 F2= 4.314 null null d= 5.6
assi (( resid 61 and name HA
))
(( resid 63 and name HN
))
4.25 1.40 1.40
! peak number h 220 F1= 4.273 F2= 0.923 null null d= 4.8
assi (( resid 61 and name HA
))
(( resid 64 and name HG1*
))
3.69 2.82 2.82
! peak number c 163 F1= 1.012 F2= 4.323 null null d= 4.5
assi (( resid 61 and name HA
))
(( resid 64 and name HG2*
))
3.42 2.53 2.53
! peak number h 278 F1= 4.269 F2= 8.556 null null d= 5.3
assi (( resid 61 and name HA
))
(( resid 64 and name HN
))
4.08 1.33 1.33
! peak number c 1139 F1= 4.328 F2= 1.856 null null d= 3.9
assi (( resid 61 and name HA) or ( resid 108 and name HA
))
(( resid 61 and name HB2) or ( resid 108 and name HB1
))
2.96 1.90 1.90
! peak number h 578 F1= 2.306 F2= 4.270 null null d= 4.2
assi (( resid 61 and name HA) or ( resid 58 and name HA
))
(( resid 61 and name HB1) or ( resid 58 and name HG2
))
3.23 2.20 2.20
! peak number h 1256 F1= 4.271 F2= 6.679 null null d= 5.2
assi (( resid 61 and name HA) or ( resid 59 and name HA
))
(( resid 62 and name HN
))
4.00 3.45 3.45
! peak number c 671 F1= 1.889 F2= 2.356 null null d= 4.1
assi (( resid 61 and name HB1
))
(( resid 61 and name HB2
))
3.11 2.10 2.10
! peak number c 675 F1= 2.377 F2= 3.471 null null d= 5.0
assi (( resid 61 and name HB1
))
(( resid 61 and name HD1
))
3.80 3.12 3.12
! peak number c 676 F1= 2.383 F2= 3.605 null null d= 4.5
assi (( resid 61 and name HB1
))
(( resid 61 and name HD2
))
3.42 2.53 2.53
! peak number h 837 F1= 2.313 F2= 6.680 null null d= 6.5
assi (( resid 61 and name HB1
))
(( resid 62 and name HN
))
5.00 5.28 5.28
! peak number h 186 F1= 3.976 F2= 2.318 null null d= 5.1
assi (( resid 61 and name HB1
))
(( resid 65 and name HA
))
3.93 3.25 3.25
! peak number c 672 F1= 1.893 F2= 3.494 null null d= 4.4
assi (( resid 61 and name HB2
))
(( resid 61 and name HD1
))
3.34 2.42 2.42
! peak number h 593 F1= 2.180 F2= 1.824 null null d= 4.8
assi (( resid 61 and name HB2
))
(( resid 61 and name HG1
))
3.69 2.88 2.88
! peak number h 836 F1= 1.834 F2= 6.682 null null d= 6.5
assi (( resid 61 and name HB2
))
(( resid 62 and name HN
))
5.00 5.28 5.28
! peak number h 172 F1= 4.000 F2= 1.835 null null d= 4.7
assi (( resid 61 and name HB2
))
(( resid 65 and name HA
))
3.62 2.70 2.70
! peak number c 248 F1= 2.272 F2= 1.882 null null d= 3.6
assi (( resid 61 and name HB2) or ( resid 108 and name HB1
))
(( resid 65 and name HB2) or ( resid 115 and name HB2
))
2.73 1.62 1.62
! peak number c 679 F1= 3.501 F2= 2.226 null null d= 4.5
assi (( resid 61 and name HD1
))
(( resid 61 and name HG1
))
3.42 2.53 2.53
! peak number c 678 F1= 3.491 F2= 2.052 null null d= 4.8
assi (( resid 61 and name HD1
))
(( resid 61 and name HG2
))
3.65 2.88 2.88
! peak number n 164 F1= 3.444 F2= 6.693 null null d= 4.6
assi (( resid 61 and name HD1
))
(( resid 62 and name HN
))
3.86 2.64 2.64
! peak number c 55 F1= 0.958 F2= 3.470 null null d= 4.6
assi (( resid 61 and name HD1
))
(( resid 92 and name HG1*) or ( resid 60 and name HG1*
))
3.49 2.64 2.64
! peak number c 231 F1= 3.600 F2= 2.055 null null d= 4.7
assi (( resid 61 and name HD2
))
(( resid 61 and name HG2
))
3.57 2.76 2.76
! peak number c 54 F1= 0.958 F2= 3.609 null null d= 4.7
assi (( resid 61 and name HD2
))
(( resid 92 and name HG1*) or ( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
3.57 2.76 2.76
! peak number h 184 F1= 3.987 F2= 2.163 null null d= 4.9
assi (( resid 61 and name HG1
))
(( resid 65 and name HA
))
3.77 3.00 3.00
! peak number c 51 F1= 0.934 F2= 2.225 null null d= 4.5
assi (( resid 61 and name HG1
))
(( resid 92 and name HG1*) or ( resid 64 and name HG1*) or ( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
3.42 2.53 2.53
! peak number h 376 F1= 2.162 F2= 2.011 null null d= 3.8
assi (( resid 61 and name HG1) or ( resid 59 and name HG1
))
(( resid 61 and name HG2) or ( resid 59 and name HG2
))
2.92 1.80 1.80
! peak number h 1264 F1= 6.680 F2= 2.011 null null d= 4.7
assi (( resid 61 and name HG2
))
(( resid 62 and name HN
))
3.62 2.76 2.76
! peak number c 45 F1= 0.934 F2= 2.058 null null d= 4.8
assi (( resid 61 and name HG2
))
(( resid 92 and name HG1*) or ( resid 64 and name HG1*) or ( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
3.65 2.88 2.88
! peak number c 681 F1= 4.278 F2= 1.710 null null d= 4.5
assi (( resid 62 and name HA
))
(( resid 62 and name HB1
))
3.42 2.53 2.53
! peak number c 682 F1= 4.275 F2= 2.242 null null d= 4.8
assi (( resid 62 and name HA
))
(( resid 62 and name HB2
))
3.65 2.82 2.82
! peak number c 686 F1= 0.986 F2= 4.285 null null d= 4.0
assi (( resid 62 and name HA
))
(( resid 62 and name HD1*
))
3.04 2.03 2.03
! peak number h 940 F1= 0.970 F2= 4.210 null null d= 4.5
assi (( resid 62 and name HA
))
(( resid 62 and name HD2*
))
3.46 2.53 2.53
! peak number c 684 F1= 4.312 F2= 2.058 null null d= 4.7
assi (( resid 62 and name HA
))
(( resid 62 and name HG
))
3.57 2.76 2.76
! peak number h 293 F1= 4.209 F2= 6.677 null null d= 4.8
assi (( resid 62 and name HA
))
(( resid 62 and name HN
))
3.69 1.21 1.21
! peak number n 45 F1= 4.253 F2= 8.194 null null d= 4.6
assi (( resid 62 and name HA
))
(( resid 63 and name HN
))
3.86 1.15 1.15
! peak number c 628 F1= 2.052 F2= 4.298 null null d= 3.6
assi (( resid 62 and name HA) or ( resid 58 and name HA) or ( resid 115 and name HA
))
(( resid 62 and name HG) or ( resid 61 and name HG2) or ( resid 58 and name HB*) or ( resid 115 and name HB1
))
2.73 1.62 1.62
! peak number c 683 F1= 4.312 F2= 1.020 null null d= 4.1
assi (( resid 62 and name HA) or ( resid 59 and name HA
))
(( resid 62 and name HD2*) or ( resid 62 and name HD1*
))
3.11 2.10 2.10
! peak number c 365 F1= 1.697 F2= 2.242 null null d= 4.3
assi (( resid 62 and name HB1
))
(( resid 62 and name HB2
))
3.27 2.31 2.31
! peak number h 936 F1= 0.949 F2= 1.650 null null d= 4.4
assi (( resid 62 and name HB1
))
(( resid 62 and name HD1*
))
3.39 2.42 2.42
! peak number h 935 F1= 0.972 F2= 1.652 null null d= 4.3
assi (( resid 62 and name HB1
))
(( resid 62 and name HD2*
))
3.31 2.31 2.31
! peak number h 330 F1= 1.646 F2= 0.960 null null d= 4.8
assi (( resid 62 and name HB1
))
(( resid 62 and name HD2*) or ( resid 62 and name HD1*
))
3.69 2.88 2.88
! peak number c 685 F1= 1.702 F2= 2.058 null null d= 4.8
assi (( resid 62 and name HB1
))
(( resid 62 and name HG
))
3.65 2.88 2.88
! peak number h 1263 F1= 6.685 F2= 1.652 null null d= 5.4
assi (( resid 62 and name HB1
))
(( resid 62 and name HN
))
4.16 3.64 3.64
! peak number c 724 F1= 8.191 F2= 1.710 null null d= 5.2
assi (( resid 62 and name HB1
))
(( resid 63 and name HN
))
3.95 3.38 3.38
! peak number h 1160 F1= 7.388 F2= 1.652 null null d= 5.3
assi (( resid 62 and name HB1) or ( resid 118 and name HB*
))
(( resid 66 and name HD*) or ( resid 117 and name HN
))
4.08 3.58 3.58
! peak number h 1259 F1= 0.950 F2= 2.193 null null d= 4.5
assi (( resid 62 and name HB2
))
(( resid 62 and name HD1*
))
3.46 2.53 2.53
! peak number h 1257 F1= 0.971 F2= 2.192 null null d= 4.3
assi (( resid 62 and name HB2
))
(( resid 62 and name HD2*
))
3.31 2.31 2.31
! peak number c 357 F1= 1.018 F2= 2.244 null null d= 4.2
assi (( resid 62 and name HB2
))
(( resid 62 and name HD2*) or ( resid 62 and name HD1*
))
3.19 2.15 2.15
! peak number c 367 F1= 6.760 F2= 2.247 null null d= 4.7
assi (( resid 62 and name HB2
))
(( resid 62 and name HN
))
3.57 2.70 2.70
! peak number c 368 F1= 8.157 F2= 2.255 null null d= 5.2
assi (( resid 62 and name HB2
))
(( resid 63 and name HN
))
3.95 3.38 3.38
! peak number h 1206 F1= 8.164 F2= 2.187 null null d= 5.4
assi (( resid 62 and name HB2) or ( resid 41 and name HB
))
(( resid 63 and name HN) or ( resid 41 and name HN
))
4.16 3.65 3.65
! peak number h 453 F1= 0.946 F2= 2.009 null null d= 4.1
assi (( resid 62 and name HD1*
))
(( resid 62 and name HG
))
3.15 2.10 2.10
! peak number h 753 F1= 0.950 F2= 6.680 null null d= 5.0
assi (( resid 62 and name HD1*
))
(( resid 62 and name HN
))
3.85 3.12 3.12
! peak number h 941 F1= 0.950 F2= 8.171 null null d= 6.2
assi (( resid 62 and name HD1*
))
(( resid 63 and name HN
))
4.77 4.81 4.81
! peak number h 372 F1= 2.010 F2= 0.962 null null d= 4.2
assi (( resid 62 and name HD2*
))
(( resid 62 and name HG
))
3.23 2.15 2.15
! peak number h 152 F1= 0.971 F2= 6.680 null null d= 5.0
assi (( resid 62 and name HD2*
))
(( resid 62 and name HN
))
3.85 3.12 3.12
! peak number h 1086 F1= 8.163 F2= 0.978 null null d= 5.9
assi (( resid 62 and name HD2*
))
(( resid 63 and name HN
))
4.54 4.35 4.35
! peak number c 688 F1= 1.007 F2= 2.058 null null d= 3.9
assi (( resid 62 and name HD2*) or ( resid 62 and name HD1*
))
(( resid 62 and name HG
))
2.96 1.90 1.90
! peak number n 334 F1= 0.987 F2= 6.698 null null d= 4.2
assi (( resid 62 and name HD2*) or ( resid 62 and name HD1*
))
(( resid 62 and name HN
))
3.52 2.21 2.21
! peak number c 691 F1= 6.716 F2= 2.058 null null d= 4.7
assi (( resid 62 and name HG
))
(( resid 62 and name HN
))
3.57 2.76 2.76
! peak number h 377 F1= 2.225 F2= 1.995 null null d= 4.6
assi (( resid 62 and name HG
))
(( resid 65 and name HB2
))
3.54 2.64 2.64
! peak number h 1265 F1= 6.680 F2= 8.164 null null d= 4.9
assi (( resid 62 and name HN
))
(( resid 63 and name HN
))
3.77 1.24 1.24
! peak number c 696 F1= 1.238 F2= 3.964 null null d= 5.1
assi (( resid 63 and name HA
))
(( resid 63 and name HB1
))
3.87 3.25 3.25
! peak number c 699 F1= 2.154 F2= 3.962 null null d= 5.0
assi (( resid 63 and name HA
))
(( resid 63 and name HB2) or ( resid 117 and name HB1
))
3.80 3.12 3.12
! peak number c 693 F1= 3.948 F2= -0.014 null null d= 4.3
assi (( resid 63 and name HA
))
(( resid 63 and name HD1*
))
3.27 2.37 2.37
! peak number c 712 F1= 0.727 F2= 3.964 null null d= 5.2
assi (( resid 63 and name HA
))
(( resid 63 and name HD2*) or ( resid 121 and name HG1*
))
3.95 3.38 3.38
! peak number c 721 F1= 1.470 F2= 3.964 null null d= 5.1
assi (( resid 63 and name HA
))
(( resid 63 and name HG
))
3.87 3.25 3.25
! peak number c 143 F1= 8.189 F2= 3.950 null null d= 4.9
assi (( resid 63 and name HA
))
(( resid 63 and name HN
))
3.72 1.23 1.23
! peak number h 721 F1= 8.076 F2= 3.931 null null d= 4.8
assi (( resid 63 and name HA
))
(( resid 65 and name HN
))
3.69 1.20 1.20
! peak number c 1048 F1= 3.972 F2= 3.235 null null d= 5.2
assi (( resid 63 and name HA
))
(( resid 66 and name HB1
))
3.95 3.38 3.38
! peak number h 253 F1= 3.934 F2= 8.051 null null d= 5.2
assi (( resid 63 and name HA
))
(( resid 66 and name HN
))
4.00 1.30 1.30
! peak number h 557 F1= 8.058 F2= 3.933 null null d= 5.1
assi (( resid 63 and name HA
))
(( resid 66 and name HN) or ( resid 65 and name HN
))
3.93 3.25 3.25
! peak number c 698 F1= 1.211 F2= 2.156 null null d= 5.1
assi (( resid 63 and name HB1
))
(( resid 63 and name HB2
))
3.87 3.21 3.21
! peak number c 706 F1= -0.032 F2= 1.238 null null d= 5.1
assi (( resid 63 and name HB1
))
(( resid 63 and name HD1*
))
3.87 3.25 3.25
! peak number c 713 F1= 0.751 F2= 1.236 null null d= 4.7
assi (( resid 63 and name HB1
))
(( resid 63 and name HD2*
))
3.57 2.76 2.76
! peak number h 1266 F1= 8.166 F2= 1.194 null null d= 5.7
assi (( resid 63 and name HB1
))
(( resid 63 and name HN
))
4.39 3.99 3.99
! peak number c 410 F1= 0.950 F2= 1.237 null null d= 4.7
assi (( resid 63 and name HB1
))
(( resid 95 and name HB*) or ( resid 64 and name HG1*) or ( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
3.57 2.76 2.76
! peak number c 336 F1= 4.086 F2= 1.240 null null d= 5.7
assi (( resid 63 and name HB1
))
(( resid 96 and name HA) or ( resid 126 and name HA
))
4.33 4.06 4.06
! peak number c 702 F1= 2.159 F2= -0.014 null null d= 4.8
assi (( resid 63 and name HB2
))
(( resid 63 and name HD1*
))
3.65 2.94 2.94
! peak number c 714 F1= 0.755 F2= 2.159 null null d= 5.2
assi (( resid 63 and name HB2
))
(( resid 63 and name HD2*) or ( resid 121 and name HG1*
))
3.95 3.38 3.38
! peak number c 704 F1= 2.153 F2= 1.447 null null d= 4.5
assi (( resid 63 and name HB2
))
(( resid 63 and name HG
))
3.42 2.53 2.53
! peak number c 725 F1= 8.177 F2= 2.158 null null d= 5.1
assi (( resid 63 and name HB2
))
(( resid 63 and name HN
))
3.87 3.21 3.21
! peak number h 1098 F1= 8.557 F2= 2.093 null null d= 4.9
assi (( resid 63 and name HB2
))
(( resid 64 and name HN
))
3.77 3.06 3.06
! peak number h 985 F1= 7.205 F2= 2.102 null null d= 6.1
assi (( resid 63 and name HB2
))
(( resid 66 and name HE*
))
4.70 4.65 4.65
! peak number c 411 F1= 0.950 F2= 2.156 null null d= 5.0
assi (( resid 63 and name HB2
))
(( resid 95 and name HB*) or ( resid 64 and name HG1*) or ( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
3.80 3.12 3.12
! peak number c 337 F1= 1.290 F2= 2.156 null null d= 5.1
assi (( resid 63 and name HB2
))
(( resid 96 and name HB*
))
3.87 3.25 3.25
! peak number c 703 F1= 2.124 F2= 0.752 null null d= 4.1
assi (( resid 63 and name HB2) or ( resid 117 and name HB1
))
(( resid 63 and name HD2*
))
3.11 2.10 2.10
! peak number h 1249 F1= 2.087 F2= 0.700 null null d= 4.6
assi (( resid 63 and name HB2) or ( resid 56 and name HG) or ( resid 117 and name HB1
))
(( resid 63 and name HD2*) or ( resid 56 and name HD1*) or ( resid 121 and name HG1*
))
3.54 2.64 2.64
! peak number c 709 F1= -0.023 F2= 0.749 null null d= 3.9
assi (( resid 63 and name HD1*
))
(( resid 63 and name HD2*
))
2.96 1.90 1.90
! peak number c 710 F1= -0.023 F2= 1.456 null null d= 4.3
assi (( resid 63 and name HD1*
))
(( resid 63 and name HG
))
3.27 2.31 2.31
! peak number c 726 F1= 8.191 F2= -0.012 null null d= 5.1
assi (( resid 63 and name HD1*
))
(( resid 63 and name HN
))
3.87 3.25 3.25
! peak number c 294 F1= 7.049 F2= -0.013 null null d= 4.4
assi (( resid 63 and name HD1*
))
(( resid 91 and name HZ
))
3.34 2.42 2.42
! peak number c 89 F1= -0.037 F2= 0.917 null null d= 4.3
assi (( resid 63 and name HD1*
))
(( resid 95 and name HB*
))
3.27 2.31 2.31
! peak number c 413 F1= 0.757 F2= 1.449 null null d= 4.0
assi (( resid 63 and name HD2*
))
(( resid 63 and name HG
))
3.04 2.03 2.03
! peak number h 1268 F1= 8.168 F2= 0.705 null null d= 5.3
assi (( resid 63 and name HD2*
))
(( resid 63 and name HN
))
4.08 3.51 3.51
! peak number h 1230 F1= 7.060 F2= 0.698 null null d= 4.5
assi (( resid 63 and name HD2*
))
(( resid 91 and name HE*
))
3.46 2.53 2.53
! peak number h 455 F1= 0.706 F2= 2.839 null null d= 4.6
assi (( resid 63 and name HD2*
))
(( resid 92 and name HA
))
3.54 2.64 2.64
! peak number c 694 F1= 3.948 F2= 0.753 null null d= 5.0
assi (( resid 63 and name HD2*
))
(( resid 95 and name HA) or ( resid 63 and name HA
))
3.80 3.12 3.12
! peak number c 328 F1= 4.074 F2= 0.748 null null d= 5.1
assi (( resid 63 and name HD2*
))
(( resid 96 and name HA) or ( resid 126 and name HA
))
3.87 3.25 3.25
! peak number c 320 F1= 1.278 F2= 0.750 null null d= 4.0
assi (( resid 63 and name HD2*
))
(( resid 96 and name HB*
))
3.04 2.00 2.00
! peak number c 663 F1= 8.821 F2= 0.748 null null d= 5.2
assi (( resid 63 and name HD2*
))
(( resid 96 and name HN) or ( resid 95 and name HN) or ( resid 60 and name HN
))
3.95 3.38 3.38
! peak number c 1194 F1= 6.862 F2= 0.746 null null d= 5.2
assi (( resid 63 and name HD2*
))
(( resid 99 and name HE*) or ( resid 117 and name HE*
))
3.95 3.38 3.38
! peak number h 127 F1= 0.714 F2= 6.780 null null d= 4.4
assi (( resid 63 and name HD2*) or ( resid 121 and name HG1*
))
(( resid 99 and name HE*) or ( resid 117 and name HE*
))
3.39 2.48 2.48
! peak number h 1269 F1= 8.166 F2= 1.400 null null d= 5.5
assi (( resid 63 and name HG
))
(( resid 63 and name HN
))
4.23 3.85 3.85
! peak number h 1100 F1= 7.061 F2= 1.405 null null d= 5.7
assi (( resid 63 and name HG
))
(( resid 91 and name HE*
))
4.39 4.06 4.06
! peak number h 408 F1= 0.891 F2= 1.393 null null d= 4.2
assi (( resid 63 and name HG) or ( resid 59 and name HB1
))
(( resid 92 and name HG1*
))
3.23 2.21 2.21
! peak number h 939 F1= 8.167 F2= 0.911 null null d= 5.8
assi (( resid 63 and name HN
))
(( resid 64 and name HG1*) or ( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
4.46 4.21 4.21
! peak number n 48 F1= 0.955 F2= 8.195 null null d= 4.2
assi (( resid 63 and name HN
))
(( resid 64 and name HG1*) or ( resid 62 and name HD2*) or ( resid 62 and name HD1*) or ( resid 60 and name HG2*) or ( resid
60 and name HG1*
))
3.52 2.21 2.21
! peak number h 694 F1= 8.164 F2= 8.554 null null d= 5.0
assi (( resid 63 and name HN
))
(( resid 64 and name HN
))
3.85 1.26 1.26
! peak number n 44 F1= 3.588 F2= 8.195 null null d= 4.8
assi (( resid 63 and name HN
))
(( resid 66 and name HB2) or ( resid 61 and name HD2
))
4.02 2.88 2.88
! peak number h 659 F1= 7.188 F2= 8.163 null null d= 6.1
assi (( resid 63 and name HN
))
(( resid 99 and name HD*) or ( resid 91 and name HD*
))
4.70 4.65 4.65
! peak number c 732 F1= 2.213 F2= 3.519 null null d= 5.0
assi (( resid 64 and name HA
))
(( resid 64 and name HB
))
3.80 3.12 3.12
! peak number c 730 F1= 3.535 F2= 0.967 null null d= 4.2
assi (( resid 64 and name HA
))
(( resid 64 and name HG1*
))
3.19 2.26 2.26
! peak number c 731 F1= 3.515 F2= 1.040 null null d= 4.5
assi (( resid 64 and name HA
))
(( resid 64 and name HG2*
))
3.42 2.53 2.53
! peak number c 735 F1= 1.013 F2= 3.517 null null d= 4.2
assi (( resid 64 and name HA
))
(( resid 64 and name HG2*) or ( resid 129 and name HG
))
3.19 2.21 2.21
! peak number c 738 F1= 8.552 F2= 3.519 null null d= 5.1
assi (( resid 64 and name HA
))
(( resid 64 and name HN
))
3.87 1.27 1.27
! peak number c 124 F1= 1.482 F2= 3.518 null null d= 4.7
assi (( resid 64 and name HA
))
(( resid 67 and name HB*) or ( resid 63 and name HG
))
3.57 2.76 2.76
! peak number c 123 F1= 8.243 F2= 3.520 null null d= 5.5
assi (( resid 64 and name HA
))
(( resid 68 and name HN
))
4.18 1.38 1.38
! peak number h 511 F1= 0.490 F2= 3.481 null null d= 4.7
assi (( resid 64 and name HA
))
(( resid 88 and name HG2*) or ( resid 84 and name HG2*
))
3.62 2.76 2.76
! peak number c 733 F1= 2.220 F2= 0.977 null null d= 3.8
assi (( resid 64 and name HB
))
(( resid 64 and name HG1*
))
2.88 1.80 1.80
! peak number c 736 F1= 0.968 F2= 2.224 null null d= 4.0
assi (( resid 64 and name HB
))
(( resid 64 and name HG1*) or ( resid 60 and name HG1*
))
3.04 2.00 2.00
! peak number c 734 F1= 2.213 F2= 1.038 null null d= 4.4
assi (( resid 64 and name HB
))
(( resid 64 and name HG2*
))
3.34 2.38 2.38
! peak number c 739 F1= 8.573 F2= 2.228 null null d= 4.6
assi (( resid 64 and name HB
))
(( resid 64 and name HN
))
3.49 2.67 2.67
! peak number c 20 F1= 2.216 F2= 0.527 null null d= 5.0
assi (( resid 64 and name HB
))
(( resid 88 and name HG2*
))
3.80 3.12 3.12
! peak number h 1078 F1= 8.556 F2= 0.920 null null d= 4.7
assi (( resid 64 and name HG1*
))
(( resid 64 and name HN
))
3.62 2.76 2.76
! peak number c 11 F1= 8.119 F2= 0.967 null null d= 5.3
assi (( resid 64 and name HG1*
))
(( resid 65 and name HN
))
4.03 3.56 3.56
! peak number h 143 F1= 0.921 F2= 7.205 null null d= 5.6
assi (( resid 64 and name HG1*
))
(( resid 66 and name HE*
))
4.31 3.92 3.92
! peak number h 1291 F1= 1.462 F2= 0.921 null null d= 5.9
assi (( resid 64 and name HG1*
))
(( resid 67 and name HB*
))
4.54 4.35 4.35
! peak number c 937 F1= 0.553 F2= 0.967 null null d= 4.5
assi (( resid 64 and name HG1*
))
(( resid 88 and name HG2*
))
3.42 2.59 2.59
! peak number c 1033 F1= 0.968 F2= 0.625 null null d= 4.3
assi (( resid 64 and name HG1*) or ( resid 60 and name HG1*
))
(( resid 84 and name HD1*
))
3.27 2.35 2.35
! peak number c 412 F1= 0.939 F2= 1.449 null null d= 3.8
assi (( resid 64 and name HG1*) or ( resid 60 and name HG1*
))
(( resid 84 and name HG1*) or ( resid 63 and name HG
))
2.88 1.80 1.80
! peak number h 1323 F1= 6.998 F2= 0.917 null null d= 5.7
assi (( resid 64 and name HG1*) or ( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
(( resid 91 and name HZ
))
4.39 4.06 4.06
! peak number c 740 F1= 8.579 F2= 1.038 null null d= 4.5
assi (( resid 64 and name HG2*
))
(( resid 64 and name HN
))
3.42 2.56 2.56
! peak number c 742 F1= 8.088 F2= 1.038 null null d= 5.6
assi (( resid 64 and name HG2*
))
(( resid 65 and name HN
))
4.25 3.92 3.92
! peak number h 1272 F1= 0.993 F2= 0.564 null null d= 5.1
assi (( resid 64 and name HG2*
))
(( resid 84 and name HD1*
))
3.93 3.25 3.25
! peak number c 19 F1= 1.050 F2= 0.537 null null d= 4.8
assi (( resid 64 and name HG2*
))
(( resid 88 and name HG2*
))
3.65 2.92 2.92
! peak number h 100 F1= 1.007 F2= 7.194 null null d= 4.9
assi (( resid 64 and name HG2*
))
(( resid 91 and name HD*
))
3.77 3.00 3.00
! peak number h 1181 F1= 1.007 F2= 7.208 null null d= 4.8
assi (( resid 64 and name HG2*) or ( resid 126 and name HD1*
))
(( resid 66 and name HE*
))
3.69 2.94 2.94
! peak number h 1295 F1= 1.464 F2= 1.006 null null d= 5.4
assi (( resid 64 and name HG2*) or ( resid 126 and name HD1*
))
(( resid 67 and name HB*
))
4.16 3.65 3.65
! peak number h 987 F1= 7.389 F2= 1.004 null null d= 5.9
assi (( resid 64 and name HG2*) or ( resid 126 and name HD1*
))
(( resid 91 and name HN) or ( resid 66 and name HD*
))
4.54 4.35 4.35
! peak number h 619 F1= 0.995 F2= 3.469 null null d= 4.4
assi (( resid 64 and name HG2*) or ( resid 129 and name HG
))
(( resid 91 and name HB1) or ( resid 67 and name HA
))
3.39 2.42 2.42
! peak number h 693 F1= 8.074 F2= 8.550 null null d= 4.8
assi (( resid 64 and name HN
))
(( resid 65 and name HN
))
3.69 1.20 1.20
! peak number n 351 F1= 1.519 F2= 8.587 null null d= 4.7
assi (( resid 64 and name HN
))
(( resid 67 and name HB*
))
3.94 2.76 2.76
! peak number h 1076 F1= 8.561 F2= 1.077 null null d= 5.8
assi (( resid 64 and name HN
))
(( resid 92 and name HG2*
))
4.46 4.21 4.21
! peak number c 259 F1= 2.220 F2= 4.020 null null d= 4.3
assi (( resid 65 and name HA
))
(( resid 65 and name HB1
))
3.27 2.31 2.31
! peak number h 223 F1= 3.976 F2= 2.229 null null d= 4.7
assi (( resid 65 and name HA
))
(( resid 65 and name HB2
))
3.62 2.76 2.76
! peak number c 741 F1= 3.999 F2= 2.474 null null d= 5.0
assi (( resid 65 and name HA
))
(( resid 65 and name HG*
))
3.80 3.12 3.12
! peak number n 345 F1= 3.958 F2= 8.094 null null d= 3.6
assi (( resid 65 and name HA
))
(( resid 65 and name HN
))
3.02 0.90 0.90
! peak number h 244 F1= 4.004 F2= 8.043 null null d= 5.8
assi (( resid 65 and name HA
))
(( resid 66 and name HN
))
4.46 1.45 1.45
! peak number c 125 F1= 8.089 F2= 4.006 null null d= 4.5
assi (( resid 65 and name HA
))
(( resid 66 and name HN) or ( resid 65 and name HN
))
3.42 2.53 2.53
! peak number n 316 F1= 3.958 F2= 8.426 null null d= 4.4
assi (( resid 65 and name HA) or ( resid 63 and name HA
))
(( resid 67 and name HN
))
3.69 2.42 2.42
! peak number h 588 F1= 2.451 F2= 2.184 null null d= 4.3
assi (( resid 65 and name HB1
))
(( resid 65 and name HG*
))
3.31 2.31 2.31
! peak number h 1197 F1= 8.073 F2= 2.176 null null d= 4.6
assi (( resid 65 and name HB1
))
(( resid 65 and name HN
))
3.54 2.64 2.64
! peak number c 14 F1= 8.091 F2= 2.221 null null d= 4.3
assi (( resid 65 and name HB1
))
(( resid 66 and name HN) or ( resid 65 and name HN
))
3.27 2.31 2.31
! peak number n 545 F1= 2.174 F2= 8.960 null null d= 3.9
assi (( resid 65 and name HB1
))
(( resid 83 and name HN
))
3.27 1.90 1.90
! peak number h 857 F1= 2.176 F2= 8.072 null null d= 4.6
assi (( resid 65 and name HB1) or ( resid 64 and name HB
))
(( resid 65 and name HN
))
3.54 2.64 2.64
! peak number c 743 F1= 8.093 F2= 2.278 null null d= 4.4
assi (( resid 65 and name HB2
))
(( resid 65 and name HN
))
3.34 2.39 2.39
! peak number h 850 F1= 2.449 F2= 8.068 null null d= 4.9
assi (( resid 65 and name HG*
))
(( resid 65 and name HN
))
3.77 3.04 3.04
! peak number c 744 F1= 8.102 F2= 2.476 null null d= 4.6
assi (( resid 65 and name HG*
))
(( resid 66 and name HN) or ( resid 65 and name HN
))
3.49 2.64 2.64
! peak number n 617 F1= 3.573 F2= 8.091 null null d= 3.8
assi (( resid 65 and name HN
))
(( resid 66 and name HB2
))
3.18 1.80 1.80
! peak number n 333 F1= 7.426 F2= 8.094 null null d= 3.9
assi (( resid 65 and name HN
))
(( resid 66 and name HD*
))
3.27 1.90 1.90
! peak number n 319 F1= 8.420 F2= 8.091 null null d= 3.9
assi (( resid 65 and name HN
))
(( resid 67 and name HN
))
3.27 0.97 0.97
! peak number h 68 F1= 1.418 F2= 8.063 null null d= 5.6
assi (( resid 65 and name HN
))
(( resid 84 and name HG1*
))
4.31 3.92 3.92
! peak number c 746 F1= 4.585 F2= 3.237 null null d= 5.3
assi (( resid 66 and name HA
))
(( resid 66 and name HB1
))
4.03 3.51 3.51
! peak number c 747 F1= 4.599 F2= 3.603 null null d= 4.7
assi (( resid 66 and name HA
))
(( resid 66 and name HB2
))
3.57 2.76 2.76
! peak number c 754 F1= 7.423 F2= 4.584 null null d= 4.6
assi (( resid 66 and name HA
))
(( resid 66 and name HD*
))
3.49 2.64 2.64
! peak number c 760 F1= 7.252 F2= 4.581 null null d= 5.1
assi (( resid 66 and name HA
))
(( resid 66 and name HE*
))
3.87 3.25 3.25
! peak number h 1286 F1= 8.050 F2= 4.541 null null d= 4.6
assi (( resid 66 and name HA
))
(( resid 66 and name HN
))
3.54 1.15 1.15
! peak number c 748 F1= 4.585 F2= 3.515 null null d= 5.3
assi (( resid 66 and name HA
))
(( resid 67 and name HA
))
4.03 1.32 1.32
! peak number h 760 F1= 7.770 F2= 4.539 null null d= 5.7
assi (( resid 66 and name HA
))
(( resid 69 and name HN
))
4.39 1.43 1.43
! peak number c 750 F1= 3.214 F2= 3.602 null null d= 4.6
assi (( resid 66 and name HB1
))
(( resid 66 and name HB2
))
3.49 2.64 2.64
! peak number c 755 F1= 7.400 F2= 3.244 null null d= 4.8
assi (( resid 66 and name HB1
))
(( resid 66 and name HD*
))
3.65 2.88 2.88
! peak number c 409 F1= 7.246 F2= 3.243 null null d= 5.2
assi (( resid 66 and name HB1
))
(( resid 66 and name HE*
))
3.95 3.38 3.38
! peak number c 768 F1= 8.095 F2= 3.251 null null d= 5.0
assi (( resid 66 and name HB1
))
(( resid 66 and name HN
))
3.80 3.12 3.12
! peak number h 1134 F1= 8.392 F2= 3.188 null null d= 4.8
assi (( resid 66 and name HB1
))
(( resid 67 and name HN
))
3.69 2.94 2.94
! peak number c 756 F1= 7.425 F2= 3.603 null null d= 4.6
assi (( resid 66 and name HB2
))
(( resid 66 and name HD*
))
3.49 2.64 2.64
! peak number c 769 F1= 8.067 F2= 3.604 null null d= 5.0
assi (( resid 66 and name HB2
))
(( resid 66 and name HN
))
3.80 3.12 3.12
! peak number c 766 F1= 7.099 F2= 3.599 null null d= 4.6
assi (( resid 66 and name HB2
))
(( resid 66 and name HZ
))
3.49 2.64 2.64
! peak number c 420 F1= 8.451 F2= 3.608 null null d= 5.4
assi (( resid 66 and name HB2
))
(( resid 67 and name HN
))
4.10 3.65 3.65
! peak number h 1278 F1= 7.392 F2= 7.208 null null d= 3.7
assi (( resid 66 and name HD*
))
(( resid 66 and name HE*
))
2.85 1.71 1.71
! peak number h 1307 F1= 7.390 F2= 8.047 null null d= 5.2
assi (( resid 66 and name HD*
))
(( resid 66 and name HN
))
4.00 3.38 3.38
! peak number h 1283 F1= 7.389 F2= 7.019 null null d= 4.8
assi (( resid 66 and name HD*
))
(( resid 66 and name HZ
))
3.69 2.82 2.82
! peak number c 757 F1= 7.425 F2= 1.512 null null d= 5.3
assi (( resid 66 and name HD*
))
(( resid 67 and name HB*
))
4.03 3.51 3.51
! peak number h 1279 F1= 7.391 F2= 8.394 null null d= 4.8
assi (( resid 66 and name HD*
))
(( resid 67 and name HN
))
3.69 2.88 2.88
! peak number h 655 F1= 7.205 F2= 7.020 null null d= 3.8
assi (( resid 66 and name HE*
))
(( resid 66 and name HZ
))
2.92 1.80 1.80
! peak number c 761 F1= 7.249 F2= 3.505 null null d= 5.8
assi (( resid 66 and name HE*
))
(( resid 67 and name HA
))
4.41 4.21 4.21
! peak number c 762 F1= 7.261 F2= 1.514 null null d= 5.1
assi (( resid 66 and name HE*
))
(( resid 67 and name HB*
))
3.87 3.29 3.29
! peak number h 691 F1= 7.209 F2= 8.396 null null d= 6.0
assi (( resid 66 and name HE*
))
(( resid 67 and name HN
))
4.62 4.50 4.50
! peak number c 403 F1= 7.227 F2= 1.307 null null d= 5.5
assi (( resid 66 and name HE*
))
(( resid 70 and name HB*
))
4.18 3.78 3.78
! peak number c 307 F1= 7.248 F2= 1.672 null null d= 6.2
assi (( resid 66 and name HE*
))
(( resid 70 and name HG2
))
4.71 4.81 4.81
! peak number c 1025 F1= 7.250 F2= 1.566 null null d= 5.9
assi (( resid 66 and name HE*) or ( resid 133 and name HN
))
(( resid 70 and name HG1
))
4.48 4.35 4.35
! peak number h 1289 F1= 8.048 F2= 8.394 null null d= 4.8
assi (( resid 66 and name HN
))
(( resid 67 and name HN
))
3.69 1.19 1.19
! peak number c 770 F1= 7.054 F2= 3.508 null null d= 5.7
assi (( resid 66 and name HZ
))
(( resid 67 and name HA
))
4.33 4.06 4.06
! peak number c 232 F1= 7.075 F2= 1.308 null null d= 5.5
assi (( resid 66 and name HZ
))
(( resid 70 and name HB*
))
4.18 3.78 3.78
! peak number c 775 F1= 3.542 F2= 1.513 null null d= 4.1
assi (( resid 67 and name HA
))
(( resid 67 and name HB*
))
3.11 2.13 2.13
! peak number c 782 F1= 8.423 F2= 3.508 null null d= 5.2
assi (( resid 67 and name HA
))
(( resid 67 and name HN
))
3.95 1.30 1.30
! peak number c 257 F1= 8.812 F2= 3.510 null null d= 4.9
assi (( resid 67 and name HA
))
(( resid 70 and name HN
))
3.72 1.24 1.24
! peak number n 315 F1= 3.512 F2= 8.426 null null d= 3.9
assi (( resid 67 and name HA) or ( resid 64 and name HA
))
(( resid 67 and name HN
))
3.27 1.90 1.90
! peak number c 783 F1= 8.409 F2= 1.510 null null d= 4.2
assi (( resid 67 and name HB*
))
(( resid 67 and name HN
))
3.19 2.21 2.21
! peak number h 49 F1= 1.466 F2= 8.227 null null d= 5.2
assi (( resid 67 and name HB*
))
(( resid 68 and name HN
))
4.00 3.38 3.38
! peak number c 771 F1= 7.062 F2= 1.515 null null d= 4.5
assi (( resid 67 and name HB*
))
(( resid 91 and name HZ) or ( resid 66 and name HZ
))
3.42 2.53 2.53
! peak number n 329 F1= 1.849 F2= 8.422 null null d= 4.5
assi (( resid 67 and name HN
))
(( resid 68 and name HB*
))
3.77 2.53 2.53
! peak number h 886 F1= 8.542 F2= 8.381 null null d= 5.8
assi (( resid 67 and name HN) or ( resid 57 and name HN
))
(( resid 94 and name HN) or ( resid 118 and name HN
))
4.46 4.21 4.21
! peak number c 347 F1= 4.090 F2= 1.905 null null d= 5.0
assi (( resid 68 and name HA
))
(( resid 68 and name HB*
))
3.80 3.12 3.12
! peak number c 346 F1= 1.666 F2= 4.094 null null d= 4.1
assi (( resid 68 and name HA
))
(( resid 68 and name HD*
))
3.11 2.10 2.10
! peak number c 785 F1= 4.081 F2= 3.013 null null d= 4.5
assi (( resid 68 and name HA
))
(( resid 68 and name HE*
))
3.42 2.53 2.53
! peak number c 786 F1= 4.122 F2= 1.408 null null d= 5.0
assi (( resid 68 and name HA
))
(( resid 68 and name HG*
))
3.80 3.12 3.12
! peak number c 350 F1= 8.242 F2= 4.107 null null d= 5.0
assi (( resid 68 and name HA
))
(( resid 68 and name HN
))
3.80 1.25 1.25
! peak number h 747 F1= 7.762 F2= 4.065 null null d= 4.8
assi (( resid 68 and name HA
))
(( resid 69 and name HN
))
3.69 1.20 1.20
! peak number h 297 F1= 3.269 F2= 4.055 null null d= 6.1
assi (( resid 68 and name HA
))
(( resid 71 and name HB1
))
4.70 4.65 4.65
! peak number c 344 F1= 7.044 F2= 4.109 null null d= 4.6
assi (( resid 68 and name HA
))
(( resid 75 and name HD1
))
3.49 2.64 2.64
! peak number h 791 F1= 6.972 F2= 4.064 null null d= 5.3
assi (( resid 68 and name HA
))
(( resid 75 and name HD2
))
4.08 3.51 3.51
! peak number h 1296 F1= 7.764 F2= 1.870 null null d= 5.5
assi (( resid 68 and name HB*
))
(( resid 69 and name HN
))
4.23 3.78 3.78
! peak number h 1180 F1= 6.998 F2= 1.863 null null d= 5.7
assi (( resid 68 and name HB*
))
(( resid 75 and name HD1
))
4.39 4.06 4.06
! peak number h 1324 F1= 6.970 F2= 1.863 null null d= 6.5
assi (( resid 68 and name HB*
))
(( resid 75 and name HD2
))
5.00 5.28 5.28
! peak number c 787 F1= 1.658 F2= 3.006 null null d= 3.6
assi (( resid 68 and name HD*
))
(( resid 68 and name HE*
))
2.73 1.62 1.62
! peak number h 347 F1= 1.609 F2= 1.373 null null d= 4.0
assi (( resid 68 and name HD*
))
(( resid 68 and name HG*
))
3.08 2.00 2.00
! peak number h 1297 F1= 7.766 F2= 1.619 null null d= 4.7
assi (( resid 68 and name HD*
))
(( resid 69 and name HN
))
3.62 2.70 2.70
! peak number h 354 F1= 1.609 F2= 1.270 null null d= 4.6
assi (( resid 68 and name HD*
))
(( resid 70 and name HB*
))
3.54 2.64 2.64
! peak number c 402 F1= 1.666 F2= 3.324 null null d= 5.6
assi (( resid 68 and name HD*
))
(( resid 71 and name HB1
))
4.25 3.92 3.92
! peak number c 401 F1= 1.673 F2= 2.827 null null d= 5.2
assi (( resid 68 and name HD*
))
(( resid 71 and name HB2
))
3.95 3.38 3.38
! peak number h 1012 F1= 7.000 F2= 1.627 null null d= 4.6
assi (( resid 68 and name HD*
))
(( resid 75 and name HD1
))
3.54 2.64 2.64
! peak number h 1325 F1= 6.969 F2= 1.625 null null d= 5.2
assi (( resid 68 and name HD*
))
(( resid 75 and name HD2
))
4.00 3.38 3.38
! peak number c 348 F1= 3.025 F2= 1.419 null null d= 4.6
assi (( resid 68 and name HE*
))
(( resid 68 and name HG*
))
3.49 2.64 2.64
! peak number h 1112 F1= 6.999 F2= 2.980 null null d= 5.3
assi (( resid 68 and name HE*
))
(( resid 75 and name HD1
))
4.08 3.51 3.51
! peak number c 790 F1= 8.239 F2= 1.406 null null d= 5.3
assi (( resid 68 and name HG*
))
(( resid 68 and name HN
))
4.03 3.51 3.51
! peak number n 331 F1= 8.238 F2= 7.827 null null d= 4.1
assi (( resid 68 and name HN
))
(( resid 69 and name HN
))
3.44 1.02 1.02
! peak number h 75 F1= 1.650 F2= 8.231 null null d= 5.5
assi (( resid 68 and name HN
))
(( resid 70 and name HG2) or ( resid 129 and name HB1
))
4.23 3.78 3.78
! peak number h 944 F1= 7.000 F2= 8.232 null null d= 5.5
assi (( resid 68 and name HN
))
(( resid 91 and name HZ) or ( resid 75 and name HD1
))
4.23 3.78 3.78
! peak number c 791 F1= 4.244 F2= 2.681 null null d= 4.2
assi (( resid 69 and name HA
))
(( resid 69 and name HB1
))
3.19 2.26 2.26
! peak number c 792 F1= 4.231 F2= 2.780 null null d= 4.6
assi (( resid 69 and name HA
))
(( resid 69 and name HB2
))
3.49 2.65 2.65
! peak number c 794 F1= 7.795 F2= 4.239 null null d= 4.5
assi (( resid 69 and name HA
))
(( resid 69 and name HN
))
3.42 1.13 1.13
! peak number h 756 F1= 8.793 F2= 4.184 null null d= 6.0
assi (( resid 69 and name HA
))
(( resid 70 and name HN
))
4.62 1.50 1.50
! peak number h 1328 F1= 6.970 F2= 4.190 null null d= 4.7
assi (( resid 69 and name HA
))
(( resid 75 and name HD2
))
3.62 2.70 2.70
! peak number h 1449 F1= 8.021 F2= 4.189 null null d= 4.6
assi (( resid 69 and name HA) or ( resid 103 and name HA
))
(( resid 73 and name HD22) or ( resid 103 and name HN
))
3.54 2.64 2.64
! peak number c 795 F1= 7.830 F2= 2.687 null null d= 4.5
assi (( resid 69 and name HB1
))
(( resid 69 and name HN
))
3.42 2.59 2.59
! peak number c 101 F1= 1.284 F2= 2.675 null null d= 4.5
assi (( resid 69 and name HB1
))
(( resid 70 and name HB*
))
3.42 2.53 2.53
! peak number c 9 F1= 8.860 F2= 2.680 null null d= 5.2
assi (( resid 69 and name HB1
))
(( resid 70 and name HN
))
3.95 3.45 3.45
! peak number c 796 F1= 7.816 F2= 2.783 null null d= 4.3
assi (( resid 69 and name HB2
))
(( resid 69 and name HN
))
3.27 2.35 2.35
! peak number c 15 F1= 8.860 F2= 2.786 null null d= 4.7
assi (( resid 69 and name HB2
))
(( resid 70 and name HN
))
3.57 2.72 2.72
! peak number h 1298 F1= 8.793 F2= 7.763 null null d= 4.7
assi (( resid 69 and name HN
))
(( resid 70 and name HN
))
3.62 1.18 1.18
! peak number n 324 F1= 7.051 F2= 7.821 null null d= 4.6
assi (( resid 69 and name HN
))
(( resid 75 and name HD1
))
3.86 2.64 2.64
! peak number c 797 F1= 3.740 F2= 1.313 null null d= 4.4
assi (( resid 70 and name HA
))
(( resid 70 and name HB*
))
3.34 2.42 2.42
! peak number c 798 F1= 3.730 F2= 1.667 null null d= 6.0
assi (( resid 70 and name HA
))
(( resid 70 and name HG2
))
4.56 4.50 4.50
! peak number n 376 F1= 3.725 F2= 8.841 null null d= 3.8
assi (( resid 70 and name HA
))
(( resid 70 and name HN
))
3.18 0.95 0.95
! peak number n 619 F1= 3.737 F2= 7.961 null null d= 4.2
assi (( resid 70 and name HA
))
(( resid 71 and name HN
))
3.52 1.05 1.05
! peak number c 611 F1= 8.833 F2= 3.756 null null d= 4.3
assi (( resid 70 and name HA) or ( resid 56 and name HA
))
(( resid 96 and name HN) or ( resid 70 and name HN) or ( resid 56 and name HN
))
3.27 2.31 2.31
! peak number c 800 F1= 1.313 F2= 1.563 null null d= 4.4
assi (( resid 70 and name HB*
))
(( resid 70 and name HG1
))
3.34 2.42 2.42
! peak number c 801 F1= 1.313 F2= 1.665 null null d= 4.6
assi (( resid 70 and name HB*
))
(( resid 70 and name HG2
))
3.49 2.64 2.64
! peak number c 804 F1= 8.845 F2= 1.308 null null d= 4.5
assi (( resid 70 and name HB*
))
(( resid 70 and name HN
))
3.42 2.53 2.53
! peak number h 1070 F1= 7.938 F2= 1.270 null null d= 5.8
assi (( resid 70 and name HB*
))
(( resid 71 and name HN
))
4.46 4.28 4.28
! peak number c 805 F1= 8.856 F2= 1.568 null null d= 5.3
assi (( resid 70 and name HG1
))
(( resid 70 and name HN
))
4.03 3.47 3.47
! peak number h 182 F1= 4.094 F2= 1.537 null null d= 5.2
assi (( resid 70 and name HG1
))
(( resid 71 and name HA
))
4.00 3.38 3.38
! peak number c 48 F1= 1.570 F2= 2.828 null null d= 5.2
assi (( resid 70 and name HG1) or ( resid 134 and name HG2
))
(( resid 71 and name HB2
))
3.95 3.38 3.38
! peak number c 806 F1= 8.851 F2= 1.668 null null d= 4.8
assi (( resid 70 and name HG2
))
(( resid 70 and name HN
))
3.65 2.82 2.82
! peak number h 174 F1= 4.092 F2= 1.646 null null d= 4.0
assi (( resid 70 and name HG2
))
(( resid 71 and name HA
))
3.08 2.00 2.00
! peak number c 807 F1= 4.124 F2= 1.670 null null d= 6.0
assi (( resid 70 and name HG2
))
(( resid 71 and name HA) or ( resid 68 and name HA
))
4.56 4.50 4.50
! peak number h 1300 F1= 8.793 F2= 7.932 null null d= 4.7
assi (( resid 70 and name HN
))
(( resid 71 and name HN
))
3.62 1.17 1.17
! peak number n 373 F1= 7.365 F2= 8.841 null null d= 4.4
assi (( resid 70 and name HN
))
(( resid 73 and name HD21
))
3.69 2.42 2.42
! peak number c 809 F1= 4.108 F2= 3.328 null null d= 5.0
assi (( resid 71 and name HA
))
(( resid 71 and name HB1
))
3.80 3.12 3.12
! peak number c 810 F1= 2.822 F2= 4.121 null null d= 5.3
assi (( resid 71 and name HA
))
(( resid 71 and name HB2
))
4.03 3.51 3.51
! peak number n 621 F1= 4.070 F2= 7.959 null null d= 3.6
assi (( resid 71 and name HA
))
(( resid 71 and name HN
))
3.02 0.90 0.90
! peak number c 808 F1= 4.094 F2= 2.815 null null d= 5.2
assi (( resid 71 and name HA) or ( resid 68 and name HA
))
(( resid 71 and name HB2
))
3.95 3.38 3.38
! peak number c 812 F1= 2.806 F2= 3.317 null null d= 4.8
assi (( resid 71 and name HB1
))
(( resid 71 and name HB2
))
3.65 2.88 2.88
! peak number c 818 F1= 7.986 F2= 3.321 null null d= 5.6
assi (( resid 71 and name HB1
))
(( resid 71 and name HN
))
4.25 3.89 3.89
! peak number c 243 F1= 3.336 F2= 2.204 null null d= 5.2
assi (( resid 71 and name HB1
))
(( resid 73 and name HB*
))
3.95 3.38 3.38
! peak number n 383 F1= 3.236 F2= 7.594 null null d= 4.1
assi (( resid 71 and name HB1
))
(( resid 73 and name HN
))
3.44 2.10 2.10
! peak number c 49 F1= 7.070 F2= 3.326 null null d= 5.4
assi (( resid 71 and name HB1
))
(( resid 75 and name HD1
))
4.10 3.65 3.65
! peak number c 817 F1= 7.993 F2= 2.835 null null d= 5.3
assi (( resid 71 and name HB2
))
(( resid 71 and name HN
))
4.03 3.48 3.48
! peak number c 251 F1= 2.807 F2= 2.202 null null d= 5.1
assi (( resid 71 and name HB2
))
(( resid 73 and name HB*
))
3.87 3.25 3.25
! peak number n 385 F1= 2.802 F2= 7.584 null null d= 4.3
assi (( resid 71 and name HB2
))
(( resid 73 and name HN
))
3.60 2.31 2.31
! peak number c 353 F1= 7.624 F2= 2.821 null null d= 5.7
assi (( resid 71 and name HB2
))
(( resid 73 and name HN) or ( resid 72 and name HN
))
4.33 4.06 4.06
! peak number c 247 F1= 7.059 F2= 2.825 null null d= 5.6
assi (( resid 71 and name HB2
))
(( resid 75 and name HD1
))
4.25 3.92 3.92
! peak number h 711 F1= 7.621 F2= 7.927 null null d= 4.9
assi (( resid 71 and name HN
))
(( resid 72 and name HN
))
3.77 1.23 1.23
! peak number n 387 F1= 7.614 F2= 7.961 null null d= 3.6
assi (( resid 71 and name HN
))
(( resid 73 and name HN
))
3.02 0.90 0.90
! peak number n 624 F1= 7.000 F2= 7.952 null null d= 4.2
assi (( resid 71 and name HN
))
(( resid 75 and name HD2) or ( resid 75 and name HD1
))
3.52 2.21 2.21
! peak number c 820 F1= 4.081 F2= 3.408 null null d= 5.0
assi (( resid 72 and name HA
))
(( resid 72 and name HB1
))
3.80 3.08 3.08
! peak number c 819 F1= 4.067 F2= 3.264 null null d= 4.6
assi (( resid 72 and name HA
))
(( resid 72 and name HB2
))
3.49 2.59 2.59
! peak number c 823 F1= 7.652 F2= 4.069 null null d= 4.2
assi (( resid 72 and name HA
))
(( resid 72 and name HN
))
3.19 1.06 1.06
! peak number h 1310 F1= 7.556 F2= 4.016 null null d= 4.3
assi (( resid 72 and name HA
))
(( resid 73 and name HN
))
3.31 1.07 1.07
! peak number c 825 F1= 7.673 F2= 3.414 null null d= 5.6
assi (( resid 72 and name HB1
))
(( resid 72 and name HN
))
4.25 3.92 3.92
! peak number n 384 F1= 3.338 F2= 7.594 null null d= 4.1
assi (( resid 72 and name HB1
))
(( resid 73 and name HN
))
3.44 2.10 2.10
! peak number h 1101 F1= 7.622 F2= 3.347 null null d= 5.8
assi (( resid 72 and name HB1) or ( resid 131 and name HD2
))
(( resid 72 and name HN) or ( resid 129 and name HN
))
4.46 4.21 4.21
! peak number h 1104 F1= 7.626 F2= 3.206 null null d= 5.7
assi (( resid 72 and name HB2
))
(( resid 72 and name HN
))
4.39 4.06 4.06
! peak number c 824 F1= 7.611 F2= 3.267 null null d= 5.5
assi (( resid 72 and name HB2
))
(( resid 73 and name HN) or ( resid 72 and name HN
))
4.18 3.78 3.78
! peak number c 4 F1= 1.953 F2= 3.262 null null d= 5.3
assi (( resid 72 and name HB2
))
(( resid 74 and name HG*) or ( resid 74 and name HB1
))
4.03 3.51 3.51
! peak number h 1337 F1= 8.048 F2= 3.207 null null d= 5.3
assi (( resid 72 and name HB2
))
(( resid 75 and name HN
))
4.08 3.51 3.51
! peak number c 827 F1= 4.893 F2= 2.202 null null d= 5.1
assi (( resid 73 and name HA
))
(( resid 73 and name HB*
))
3.87 3.25 3.25
! peak number h 673 F1= 8.029 F2= 4.827 null null d= 5.8
assi (( resid 73 and name HA
))
(( resid 73 and name HD22
))
4.46 4.21 4.21
! peak number c 832 F1= 7.611 F2= 4.873 null null d= 4.9
assi (( resid 73 and name HA
))
(( resid 73 and name HN
))
3.72 1.22 1.22
! peak number c 126 F1= 3.494 F2= 4.876 null null d= 4.5
assi (( resid 73 and name HA
))
(( resid 74 and name HD1
))
3.42 2.59 2.59
! peak number c 127 F1= 3.821 F2= 4.876 null null d= 4.7
assi (( resid 73 and name HA
))
(( resid 74 and name HD2
))
3.57 2.76 2.76
! peak number c 128 F1= 8.034 F2= 4.876 null null d= 4.6
assi (( resid 73 and name HA
))
(( resid 75 and name HN
))
3.49 1.15 1.15
! peak number c 235 F1= 7.474 F2= 2.204 null null d= 4.9
assi (( resid 73 and name HB*
))
(( resid 73 and name HD21
))
3.72 3.04 3.04
! peak number c 5 F1= 8.109 F2= 2.202 null null d= 4.9
assi (( resid 73 and name HB*
))
(( resid 73 and name HD22
))
3.72 2.97 2.97
! peak number h 103 F1= 2.145 F2= 7.554 null null d= 4.8
assi (( resid 73 and name HB*
))
(( resid 73 and name HN
))
3.69 2.88 2.88
! peak number c 369 F1= 2.160 F2= 3.808 null null d= 4.9
assi (( resid 73 and name HB*
))
(( resid 74 and name HD2
))
3.72 3.00 3.00
! peak number c 332 F1= 2.156 F2= 3.091 null null d= 5.7
assi (( resid 73 and name HB*
))
(( resid 75 and name HB2
))
4.33 4.06 4.06
! peak number c 851 F1= 7.047 F2= 2.201 null null d= 5.3
assi (( resid 73 and name HB*
))
(( resid 75 and name HD1
))
4.03 3.56 3.56
! peak number h 1327 F1= 6.971 F2= 2.153 null null d= 5.7
assi (( resid 73 and name HB*
))
(( resid 75 and name HD2
))
4.39 4.06 4.06
! peak number h 1306 F1= 7.365 F2= 8.022 null null d= 4.2
assi (( resid 73 and name HD21
))
(( resid 73 and name HD22
))
3.23 2.15 2.15
! peak number n 66 F1= 7.019 F2= 7.398 null null d= 3.8
assi (( resid 73 and name HD21
))
(( resid 75 and name HD1
))
3.18 1.80 1.80
! peak number n 388 F1= 8.014 F2= 7.591 null null d= 4.3
assi (( resid 73 and name HD22
))
(( resid 73 and name HN
))
3.60 2.31 2.31
! peak number h 723 F1= 8.033 F2= 4.110 null null d= 5.6
assi (( resid 73 and name HD22
))
(( resid 74 and name HA
))
4.31 3.92 3.92
! peak number h 1110 F1= 8.033 F2= 1.890 null null d= 5.6
assi (( resid 73 and name HD22
))
(( resid 74 and name HB1
))
4.31 3.92 3.92
! peak number c 860 F1= 8.095 F2= 3.807 null null d= 5.6
assi (( resid 73 and name HD22
))
(( resid 74 and name HD2
))
4.25 3.92 3.92
! peak number h 1321 F1= 6.999 F2= 8.024 null null d= 4.6
assi (( resid 73 and name HD22
))
(( resid 75 and name HD1
))
3.54 2.59 2.59
! peak number n 55 F1= 3.459 F2= 7.590 null null d= 4.1
assi (( resid 73 and name HN
))
(( resid 74 and name HD1
))
3.44 2.10 2.10
! peak number n 382 F1= 3.806 F2= 7.587 null null d= 4.4
assi (( resid 73 and name HN
))
(( resid 74 and name HD2
))
3.69 2.42 2.42
! peak number n 469 F1= 7.022 F2= 7.590 null null d= 4.3
assi (( resid 73 and name HN
))
(( resid 75 and name HD1
))
3.60 2.31 2.31
! peak number c 834 F1= 1.975 F2= 4.151 null null d= 4.2
assi (( resid 74 and name HA
))
(( resid 74 and name HB1
))
3.19 2.15 2.15
! peak number c 318 F1= 4.163 F2= 2.172 null null d= 4.6
assi (( resid 74 and name HA
))
(( resid 74 and name HB2
))
3.49 2.61 2.61
! peak number c 833 F1= 4.128 F2= 1.974 null null d= 5.0
assi (( resid 74 and name HA
))
(( resid 74 and name HG*
))
3.80 3.12 3.12
! peak number h 1314 F1= 4.094 F2= 8.045 null null d= 5.4
assi (( resid 74 and name HA
))
(( resid 75 and name HN
))
4.16 1.35 1.35
! peak number h 561 F1= 0.761 F2= 4.096 null null d= 5.1
assi (( resid 74 and name HA
))
(( resid 76 and name HG2*
))
3.93 3.25 3.25
! peak number h 920 F1= 1.886 F2= 3.746 null null d= 5.0
assi (( resid 74 and name HB1
))
(( resid 74 and name HD2
))
3.85 3.12 3.12
! peak number h 370 F1= 1.895 F2= 0.755 null null d= 4.8
assi (( resid 74 and name HB1
))
(( resid 76 and name HG2*
))
3.69 2.88 2.88
! peak number h 1339 F1= 0.749 F2= 1.890 null null d= 4.1
assi (( resid 74 and name HB1) or ( resid 43 and name HB*
))
(( resid 76 and name HG2*) or ( resid 44 and name HD2*
))
3.15 2.10 2.10
! peak number h 919 F1= 2.109 F2= 3.745 null null d= 5.5
assi (( resid 74 and name HB2
))
(( resid 74 and name HD2
))
4.23 3.78 3.78
! peak number h 1151 F1= 8.920 F2= 2.106 null null d= 6.1
assi (( resid 74 and name HB2
))
(( resid 83 and name HN
))
4.70 4.65 4.65
! peak number c 835 F1= 3.508 F2= 3.805 null null d= 4.2
assi (( resid 74 and name HD1
))
(( resid 74 and name HD2
))
3.19 2.15 2.15
! peak number c 836 F1= 3.515 F2= 1.976 null null d= 4.5
assi (( resid 74 and name HD1
))
(( resid 74 and name HG*
))
3.42 2.53 2.53
! peak number h 744 F1= 8.059 F2= 3.470 null null d= 4.8
assi (( resid 74 and name HD1
))
(( resid 75 and name HN
))
3.69 2.88 2.88
! peak number h 1315 F1= 7.003 F2= 3.476 null null d= 5.4
assi (( resid 74 and name HD1) or ( resid 64 and name HA
))
(( resid 91 and name HZ) or ( resid 75 and name HD1
))
4.16 3.65 3.65
! peak number c 838 F1= 3.788 F2= 1.976 null null d= 4.7
assi (( resid 74 and name HD2
))
(( resid 74 and name HG*
))
3.57 2.76 2.76
! peak number c 840 F1= 1.961 F2= 3.807 null null d= 4.5
assi (( resid 74 and name HD2
))
(( resid 74 and name HG*) or ( resid 74 and name HB1
))
3.42 2.53 2.53
! peak number h 997 F1= 6.994 F2= 3.746 null null d= 5.2
assi (( resid 74 and name HD2
))
(( resid 75 and name HD1
))
4.00 3.38 3.38
! peak number h 998 F1= 6.967 F2= 3.748 null null d= 5.6
assi (( resid 74 and name HD2
))
(( resid 75 and name HD2
))
4.31 3.92 3.92
! peak number n 262 F1= 3.814 F2= 8.057 null null d= 4.2
assi (( resid 74 and name HD2
))
(( resid 75 and name HN
))
3.52 2.21 2.21
! peak number c 6 F1= 8.061 F2= 1.976 null null d= 5.6
assi (( resid 74 and name HG*
))
(( resid 75 and name HN
))
4.25 3.92 3.92
! peak number c 120 F1= 2.006 F2= 4.902 null null d= 5.2
assi (( resid 74 and name HG*
))
(( resid 76 and name HA
))
3.95 3.38 3.38
! peak number c 7 F1= 0.794 F2= 1.977 null null d= 4.6
assi (( resid 74 and name HG*
))
(( resid 76 and name HG2*) or ( resid 76 and name HD1*
))
3.49 2.64 2.64
! peak number n 256 F1= 1.930 F2= 8.057 null null d= 3.7
assi (( resid 74 and name HG*) or ( resid 74 and name HB1
))
(( resid 75 and name HN
))
3.10 1.71 1.71
! peak number c 841 F1= 1.984 F2= 0.787 null null d= 4.1
assi (( resid 74 and name HG*) or ( resid 74 and name HB1
))
(( resid 76 and name HD1*
))
3.11 2.10 2.10
! peak number c 848 F1= 3.249 F2= 4.237 null null d= 4.8
assi (( resid 75 and name HA
))
(( resid 75 and name HB1
))
3.65 2.88 2.88
! peak number c 845 F1= 3.079 F2= 4.235 null null d= 4.8
assi (( resid 75 and name HA
))
(( resid 75 and name HB2
))
3.65 2.88 2.88
! peak number c 116 F1= 7.016 F2= 4.241 null null d= 4.6
assi (( resid 75 and name HA
))
(( resid 75 and name HD2) or ( resid 75 and name HD1
))
3.49 2.64 2.64
! peak number c 861 F1= 8.054 F2= 4.235 null null d= 3.9
assi (( resid 75 and name HA
))
(( resid 75 and name HN
))
2.96 0.99 0.99
! peak number c 122 F1= 7.695 F2= 4.235 null null d= 4.5
assi (( resid 75 and name HA
))
(( resid 76 and name HN
))
3.42 1.12 1.12
! peak number h 306 F1= 4.185 F2= 7.593 null null d= 4.8
assi (( resid 75 and name HA) or ( resid 101 and name HB
))
(( resid 76 and name HN) or ( resid 102 and name HN
))
3.69 2.88 2.88
! peak number c 844 F1= 4.258 F2= 3.262 null null d= 5.5
assi (( resid 75 and name HA) or ( resid 69 and name HA
))
(( resid 75 and name HB1
))
4.18 3.78 3.78
! peak number c 843 F1= 4.265 F2= 3.094 null null d= 5.2
assi (( resid 75 and name HA) or ( resid 69 and name HA
))
(( resid 75 and name HB2
))
3.95 3.38 3.38
! peak number h 1318 F1= 6.999 F2= 4.188 null null d= 4.8
assi (( resid 75 and name HA) or ( resid 69 and name HA
))
(( resid 75 and name HD1
))
3.69 2.88 2.88
! peak number h 512 F1= 1.418 F2= 4.184 null null d= 5.0
assi (( resid 75 and name HA) or ( resid 69 and name HA
))
(( resid 84 and name HG1*) or ( resid 134 and name HG1
))
3.85 3.12 3.12
! peak number c 853 F1= 7.046 F2= 3.260 null null d= 5.0
assi (( resid 75 and name HB1
))
(( resid 75 and name HD1
))
3.80 3.12 3.12
! peak number h 1330 F1= 6.970 F2= 3.212 null null d= 4.9
assi (( resid 75 and name HB1
))
(( resid 75 and name HD2
))
3.77 3.00 3.00
! peak number n 264 F1= 3.220 F2= 8.057 null null d= 4.2
assi (( resid 75 and name HB1
))
(( resid 75 and name HN
))
3.52 2.21 2.21
! peak number c 850 F1= 3.243 F2= 0.630 null null d= 5.1
assi (( resid 75 and name HB1
))
(( resid 84 and name HD1*
))
3.87 3.25 3.25
! peak number c 329 F1= 3.249 F2= 0.547 null null d= 5.6
assi (( resid 75 and name HB1
))
(( resid 84 and name HG2*
))
4.25 3.92 3.92
! peak number c 852 F1= 7.046 F2= 3.096 null null d= 4.9
assi (( resid 75 and name HB2
))
(( resid 75 and name HD1
))
3.72 3.06 3.06
! peak number h 1329 F1= 6.971 F2= 3.053 null null d= 4.8
assi (( resid 75 and name HB2
))
(( resid 75 and name HD2
))
3.69 2.88 2.88
! peak number h 1336 F1= 8.052 F2= 3.054 null null d= 4.7
assi (( resid 75 and name HB2
))
(( resid 75 and name HN
))
3.62 2.70 2.70
! peak number c 878 F1= 7.670 F2= 3.093 null null d= 5.9
assi (( resid 75 and name HB2
))
(( resid 76 and name HN) or ( resid 73 and name HN
))
4.48 4.35 4.35
! peak number c 331 F1= 0.633 F2= 3.093 null null d= 5.9
assi (( resid 75 and name HB2
))
(( resid 84 and name HD1*
))
4.48 4.35 4.35
! peak number c 330 F1= 3.871 F2= 3.093 null null d= 5.7
assi (( resid 75 and name HB2
))
(( resid 85 and name HA
))
4.33 4.06 4.06
! peak number c 847 F1= 3.091 F2= 0.633 null null d= 4.9
assi (( resid 75 and name HB2) or ( resid 132 and name HB2
))
(( resid 84 and name HD1*
))
3.72 3.00 3.00
! peak number n 265 F1= 7.016 F2= 8.055 null null d= 3.7
assi (( resid 75 and name HD1
))
(( resid 75 and name HN
))
3.10 1.71 1.71
! peak number h 1002 F1= 6.995 F2= 7.599 null null d= 5.9
assi (( resid 75 and name HD1
))
(( resid 76 and name HN
))
4.54 4.35 4.35
! peak number c 281 F1= 7.037 F2= 1.323 null null d= 5.3
assi (( resid 75 and name HD1
))
(( resid 85 and name HG1
))
4.03 3.51 3.51
! peak number h 1334 F1= 6.969 F2= 0.570 null null d= 5.5
assi (( resid 75 and name HD2
))
(( resid 84 and name HD1*
))
4.23 3.85 3.85
! peak number h 661 F1= 7.587 F2= 6.977 null null d= 5.7
assi (( resid 75 and name HD2) or ( resid 102 and name HD22
))
(( resid 76 and name HN) or ( resid 102 and name HN
))
4.39 3.99 3.99
! peak number h 1166 F1= 6.967 F2= 3.876 null null d= 5.5
assi (( resid 75 and name HD2) or ( resid 102 and name HD22
))
(( resid 84 and name HA) or ( resid 104 and name HA1
))
4.23 3.78 3.78
! peak number c 854 F1= 7.001 F2= 0.619 null null d= 4.8
assi (( resid 75 and name HD2) or ( resid 75 and name HD1
))
(( resid 84 and name HD1*
))
3.65 2.88 2.88
! peak number c 855 F1= 7.007 F2= 1.459 null null d= 5.2
assi (( resid 75 and name HD2) or ( resid 75 and name HD1
))
(( resid 84 and name HG1*
))
3.95 3.38 3.38
! peak number c 857 F1= 6.900 F2= 0.787 null null d= 5.1
assi (( resid 75 and name HE*
))
(( resid 76 and name HD1*
))
3.87 3.25 3.25
! peak number n 257 F1= 1.568 F2= 8.057 null null d= 4.3
assi (( resid 75 and name HN
))
(( resid 76 and name HB
))
3.60 2.31 2.31
! peak number n 259 F1= 0.771 F2= 8.057 null null d= 4.5
assi (( resid 75 and name HN
))
(( resid 76 and name HG2*) or ( resid 76 and name HD1*
))
3.77 2.53 2.53
! peak number h 701 F1= 7.588 F2= 8.043 null null d= 4.7
assi (( resid 75 and name HN
))
(( resid 76 and name HN
))
3.62 1.18 1.18
! peak number n 263 F1= 3.514 F2= 8.057 null null d= 4.5
assi (( resid 75 and name HN
))
(( resid 83 and name HB2
))
3.77 2.53 2.53
! peak number c 863 F1= 4.878 F2= 1.585 null null d= 5.1
assi (( resid 76 and name HA
))
(( resid 76 and name HB
))
3.87 3.21 3.21
! peak number c 864 F1= 4.885 F2= 0.788 null null d= 5.0
assi (( resid 76 and name HA
))
(( resid 76 and name HD1*
))
3.80 3.12 3.12
! peak number c 865 F1= 4.871 F2= 0.806 null null d= 4.3
assi (( resid 76 and name HA
))
(( resid 76 and name HG2*
))
3.27 2.31 2.31
! peak number c 871 F1= 0.816 F2= 4.903 null null d= 4.5
assi (( resid 76 and name HA
))
(( resid 76 and name HG2*) or ( resid 76 and name HD1*
))
3.42 2.53 2.53
! peak number c 879 F1= 7.673 F2= 4.900 null null d= 5.2
assi (( resid 76 and name HA
))
(( resid 76 and name HN
))
3.95 1.31 1.31
! peak number c 433 F1= 8.873 F2= 4.902 null null d= 4.1
assi (( resid 76 and name HA
))
(( resid 77 and name HN
))
3.11 1.03 1.03
! peak number c 118 F1= 4.415 F2= 4.899 null null d= 4.8
assi (( resid 76 and name HA
))
(( resid 82 and name HA
))
3.65 1.19 1.19
! peak number h 667 F1= 8.725 F2= 4.857 null null d= 5.8
assi (( resid 76 and name HA
))
(( resid 82 and name HN
))
4.46 1.45 1.45
! peak number c 119 F1= 3.551 F2= 4.897 null null d= 5.5
assi (( resid 76 and name HA
))
(( resid 83 and name HB2
))
4.18 3.78 3.78
! peak number h 674 F1= 8.926 F2= 4.857 null null d= 4.5
assi (( resid 76 and name HA
))
(( resid 83 and name HN
))
3.46 1.14 1.14
! peak number c 868 F1= 1.559 F2= 0.788 null null d= 3.7
assi (( resid 76 and name HB
))
(( resid 76 and name HD1*
))
2.81 1.71 1.71
! peak number h 328 F1= 1.535 F2= 0.896 null null d= 4.4
assi (( resid 76 and name HB
))
(( resid 76 and name HG11
))
3.39 2.42 2.42
! peak number c 869 F1= 1.586 F2= 0.808 null null d= 3.8
assi (( resid 76 and name HB
))
(( resid 76 and name HG2*
))
2.88 1.81 1.81
! peak number c 880 F1= 7.646 F2= 1.594 null null d= 4.9
assi (( resid 76 and name HB
))
(( resid 76 and name HN
))
3.72 3.00 3.00
! peak number c 16 F1= 8.876 F2= 1.592 null null d= 4.7
assi (( resid 76 and name HB
))
(( resid 77 and name HN
))
3.57 2.70 2.70
! peak number c 24 F1= 3.520 F2= 1.592 null null d= 5.3
assi (( resid 76 and name HB
))
(( resid 80 and name HA2
))
4.03 3.51 3.51
! peak number h 47 F1= 1.548 F2= 8.459 null null d= 5.2
assi (( resid 76 and name HB
))
(( resid 81 and name HN
))
4.00 3.32 3.32
! peak number h 416 F1= 0.751 F2= 1.537 null null d= 3.5
assi (( resid 76 and name HB) or ( resid 47 and name HB
))
(( resid 76 and name HG2*) or ( resid 47 and name HD1*
))
2.69 1.53 1.53
! peak number h 225 F1= 4.199 F2= 1.539 null null d= 4.8
assi (( resid 76 and name HB) or ( resid 70 and name HG1
))
(( resid 80 and name HA1) or ( resid 75 and name HA) or ( resid 69 and name HA
))
3.69 2.88 2.88
! peak number c 875 F1= 1.395 F2= 0.783 null null d= 3.8
assi (( resid 76 and name HD1*
))
(( resid 76 and name HG12
))
2.88 1.80 1.80
! peak number c 881 F1= 7.693 F2= 0.788 null null d= 5.5
assi (( resid 76 and name HD1*
))
(( resid 76 and name HN
))
4.18 3.78 3.78
! peak number c 889 F1= 8.863 F2= 0.787 null null d= 5.2
assi (( resid 76 and name HD1*
))
(( resid 77 and name HN
))
3.95 3.38 3.38
! peak number c 902 F1= 4.276 F2= 0.787 null null d= 4.5
assi (( resid 76 and name HD1*
))
(( resid 80 and name HA1
))
3.42 2.53 2.53
! peak number c 842 F1= 3.513 F2= 0.786 null null d= 4.8
assi (( resid 76 and name HD1*
))
(( resid 80 and name HA2
))
3.65 2.88 2.88
! peak number h 1048 F1= 4.343 F2= 0.753 null null d= 5.0
assi (( resid 76 and name HD1*
))
(( resid 82 and name HA
))
3.85 3.06 3.06
! peak number h 1017 F1= 8.930 F2= 0.755 null null d= 5.2
assi (( resid 76 and name HD1*
))
(( resid 83 and name HN
))
4.00 3.42 3.42
! peak number c 874 F1= 0.938 F2= 1.433 null null d= 3.9
assi (( resid 76 and name HG11
))
(( resid 76 and name HG12
))
2.96 1.93 1.93
! peak number c 882 F1= 7.646 F2= 0.945 null null d= 5.0
assi (( resid 76 and name HG11
))
(( resid 76 and name HN
))
3.80 3.19 3.19
! peak number h 452 F1= 0.891 F2= 1.989 null null d= 4.8
assi (( resid 76 and name HG11
))
(( resid 82 and name HB*
))
3.69 2.88 2.88
! peak number h 1074 F1= 8.726 F2= 0.881 null null d= 6.6
assi (( resid 76 and name HG11
))
(( resid 82 and name HN
))
5.08 5.44 5.44
! peak number c 873 F1= 0.782 F2= 1.435 null null d= 3.8
assi (( resid 76 and name HG12
))
(( resid 76 and name HG2*) or ( resid 76 and name HD1*
))
2.88 1.85 1.85
! peak number c 883 F1= 7.652 F2= 1.433 null null d= 5.0
assi (( resid 76 and name HG12
))
(( resid 76 and name HN
))
3.80 3.12 3.12
! peak number n 248 F1= 1.421 F2= 8.826 null null d= 4.6
assi (( resid 76 and name HG12
))
(( resid 77 and name HN
))
3.86 2.64 2.64
! peak number h 102 F1= 1.375 F2= 7.599 null null d= 6.0
assi (( resid 76 and name HG12) or ( resid 68 and name HG*) or ( resid 59 and name HE*) or ( resid 51 and name HB1
))
(( resid 76 and name HN) or ( resid 53 and name HN) or ( resid 132 and name HN) or ( resid 121 and name HN
))
4.62 4.50 4.50
! peak number c 884 F1= 7.639 F2= 0.806 null null d= 5.3
assi (( resid 76 and name HG2*
))
(( resid 76 and name HN
))
4.03 3.51 3.51
! peak number c 890 F1= 8.883 F2= 0.805 null null d= 4.5
assi (( resid 76 and name HG2*
))
(( resid 77 and name HN
))
3.42 2.50 2.50
! peak number n 571 F1= 0.805 F2= 8.027 null null d= 4.2
assi (( resid 76 and name HG2*
))
(( resid 79 and name HN
))
3.52 2.21 2.21
! peak number c 870 F1= 0.796 F2= 4.256 null null d= 5.0
assi (( resid 76 and name HG2*
))
(( resid 80 and name HA1
))
3.80 3.06 3.06
! peak number c 903 F1= 4.247 F2= 0.806 null null d= 4.3
assi (( resid 76 and name HG2*
))
(( resid 80 and name HA1) or ( resid 75 and name HA
))
3.27 2.31 2.31
! peak number c 129 F1= 0.780 F2= 3.533 null null d= 4.6
assi (( resid 76 and name HG2*
))
(( resid 80 and name HA2
))
3.49 2.65 2.65
! peak number c 899 F1= 8.064 F2= 0.811 null null d= 4.8
assi (( resid 76 and name HG2*
))
(( resid 80 and name HN
))
3.65 2.88 2.88
! peak number n 551 F1= 0.794 F2= 8.476 null null d= 4.1
assi (( resid 76 and name HG2*
))
(( resid 81 and name HN
))
3.44 2.10 2.10
! peak number c 917 F1= 2.043 F2= 0.813 null null d= 4.1
assi (( resid 76 and name HG2*
))
(( resid 82 and name HB*
))
3.11 2.10 2.10
! peak number h 964 F1= 7.593 F2= 0.746 null null d= 4.7
assi (( resid 76 and name HG2*) or ( resid 44 and name HD2*) or ( resid 121 and name HD1*
))
(( resid 76 and name HN) or ( resid 44 and name HN) or ( resid 121 and name HN
))
3.62 2.76 2.76
! peak number h 142 F1= 0.747 F2= 7.591 null null d= 4.6
assi (( resid 76 and name HG2*) or ( resid 47 and name HD1*) or ( resid 44 and name HD2*) or ( resid 121 and name HD1*
))
(( resid 76 and name HN) or ( resid 53 and name HN) or ( resid 44 and name HN) or ( resid 121 and name HN
))
3.54 2.64 2.64
! peak number h 1072 F1= 8.450 F2= 0.750 null null d= 5.2
assi (( resid 76 and name HG2*) or ( resid 56 and name HD2*
))
(( resid 97 and name HN) or ( resid 81 and name HN
))
4.00 3.32 3.32
! peak number n 253 F1= 0.776 F2= 7.614 null null d= 4.2
assi (( resid 76 and name HG2*) or ( resid 76 and name HD1*
))
(( resid 76 and name HN
))
3.52 2.21 2.21
! peak number h 697 F1= 7.592 F2= 8.796 null null d= 5.5
assi (( resid 76 and name HN
))
(( resid 77 and name HN
))
4.23 1.38 1.38
! peak number c 886 F1= 4.749 F2= 3.423 null null d= 4.7
assi (( resid 77 and name HA
))
(( resid 77 and name HB1
))
3.57 2.76 2.76
! peak number c 885 F1= 4.762 F2= 2.728 null null d= 3.8
assi (( resid 77 and name HA
))
(( resid 77 and name HB2
))
2.88 1.80 1.80
! peak number c 400 F1= 4.785 F2= 4.147 null null d= 4.7
assi (( resid 77 and name HA
))
(( resid 78 and name HA
))
3.57 1.18 1.18
! peak number c 887 F1= 2.697 F2= 3.421 null null d= 4.2
assi (( resid 77 and name HB1
))
(( resid 77 and name HB2
))
3.19 2.26 2.26
! peak number c 891 F1= 8.844 F2= 3.425 null null d= 5.2
assi (( resid 77 and name HB1
))
(( resid 77 and name HN
))
3.95 3.34 3.34
! peak number c 25 F1= 8.359 F2= 3.426 null null d= 5.4
assi (( resid 77 and name HB1
))
(( resid 78 and name HN
))
4.10 3.65 3.65
! peak number h 1130 F1= 8.801 F2= 2.681 null null d= 5.0
assi (( resid 77 and name HB2
))
(( resid 77 and name HN
))
3.85 3.06 3.06
! peak number c 17 F1= 2.748 F2= 3.635 null null d= 5.5
assi (( resid 77 and name HB2
))
(( resid 83 and name HB1
))
4.18 3.78 3.78
! peak number c 18 F1= 2.733 F2= 3.542 null null d= 5.1
assi (( resid 77 and name HB2
))
(( resid 83 and name HB2
))
3.87 3.25 3.25
! peak number n 360 F1= 8.014 F2= 8.828 null null d= 4.7
assi (( resid 77 and name HN
))
(( resid 79 and name HN
))
3.94 1.16 1.16
! peak number n 353 F1= 4.212 F2= 8.831 null null d= 4.6
assi (( resid 77 and name HN
))
(( resid 80 and name HA1
))
3.86 1.15 1.15
! peak number n 359 F1= 8.475 F2= 8.828 null null d= 3.9
assi (( resid 77 and name HN
))
(( resid 81 and name HN
))
3.27 0.99 0.99
! peak number h 768 F1= 8.799 F2= 4.342 null null d= 4.9
assi (( resid 77 and name HN
))
(( resid 82 and name HA
))
3.77 1.24 1.24
! peak number n 361 F1= 3.553 F2= 8.828 null null d= 4.1
assi (( resid 77 and name HN
))
(( resid 83 and name HB1
))
3.44 2.10 2.10
! peak number h 883 F1= 8.928 F2= 8.806 null null d= 5.8
assi (( resid 77 and name HN
))
(( resid 83 and name HN
))
4.46 1.45 1.45
! peak number c 893 F1= 1.896 F2= 4.145 null null d= 3.4
assi (( resid 78 and name HA
))
(( resid 78 and name HB2) or ( resid 78 and name HB1
))
2.58 1.44 1.44
! peak number h 235 F1= 4.090 F2= 1.377 null null d= 5.1
assi (( resid 78 and name HA
))
(( resid 78 and name HG*
))
3.93 3.25 3.25
! peak number c 894 F1= 8.361 F2= 4.146 null null d= 5.1
assi (( resid 78 and name HA
))
(( resid 78 and name HN
))
3.87 1.28 1.28
! peak number h 245 F1= 4.090 F2= 7.991 null null d= 4.7
assi (( resid 78 and name HA
))
(( resid 79 and name HN
))
3.62 1.18 1.18
! peak number h 1313 F1= 4.093 F2= 1.885 null null d= 3.8
assi (( resid 78 and name HA) or ( resid 74 and name HA
))
(( resid 78 and name HB2) or ( resid 74 and name HB1
))
2.92 1.80 1.80
! peak number h 1095 F1= 8.318 F2= 1.818 null null d= 5.4
assi (( resid 78 and name HB1
))
(( resid 78 and name HN
))
4.16 3.65 3.65
! peak number h 1094 F1= 8.318 F2= 1.890 null null d= 5.3
assi (( resid 78 and name HB2
))
(( resid 78 and name HN
))
4.08 3.51 3.51
! peak number n 363 F1= 1.905 F2= 8.027 null null d= 3.4
assi (( resid 78 and name HB*
))
(( resid 79 and name HN
))
2.85 1.44 1.44
! peak number h 50 F1= 1.392 F2= 8.314 null null d= 5.1
assi (( resid 78 and name HG*) or ( resid 59 and name HB1
))
(( resid 78 and name HN) or ( resid 59 and name HN
))
3.93 3.25 3.25
! peak number n 364 F1= 1.413 F2= 8.027 null null d= 3.7
assi (( resid 78 and name HG*) or ( resid 76 and name HG12
))
(( resid 79 and name HN
))
3.10 1.71 1.71
! peak number n 626 F1= 8.376 F2= 8.029 null null d= 3.5
assi (( resid 78 and name HN
))
(( resid 79 and name HN
))
2.93 0.88 0.88
! peak number c 896 F1= 2.623 F2= 4.835 null null d= 4.7
assi (( resid 79 and name HA
))
(( resid 79 and name HB1
))
3.57 2.76 2.76
! peak number c 26 F1= 4.809 F2= 2.876 null null d= 4.6
assi (( resid 79 and name HA
))
(( resid 79 and name HB2
))
3.49 2.65 2.65
! peak number h 672 F1= 7.994 F2= 4.784 null null d= 4.1
assi (( resid 79 and name HA
))
(( resid 79 and name HN
))
3.15 1.02 1.02
! peak number c 442 F1= 4.241 F2= 4.834 null null d= 5.0
assi (( resid 79 and name HA
))
(( resid 80 and name HA1
))
3.80 1.25 1.25
! peak number n 565 F1= 4.800 F2= 8.091 null null d= 3.6
assi (( resid 79 and name HA
))
(( resid 80 and name HN
))
3.02 0.90 0.90
! peak number c 898 F1= 8.075 F2= 4.837 null null d= 4.3
assi (( resid 79 and name HA
))
(( resid 80 and name HN) or ( resid 79 and name HN
))
3.27 2.31 2.31
! peak number h 1132 F1= 7.994 F2= 2.580 null null d= 4.1
assi (( resid 79 and name HB1
))
(( resid 79 and name HN
))
3.15 2.10 2.10
! peak number n 579 F1= 2.620 F2= 8.091 null null d= 3.9
assi (( resid 79 and name HB1
))
(( resid 80 and name HN
))
3.27 1.90 1.90
! peak number c 29 F1= 8.050 F2= 2.634 null null d= 4.6
assi (( resid 79 and name HB1
))
(( resid 80 and name HN) or ( resid 79 and name HN
))
3.49 2.64 2.64
! peak number c 27 F1= 4.793 F2= 2.629 null null d= 4.4
assi (( resid 79 and name HB1
))
(( resid 81 and name HA
))
3.34 2.42 2.42
! peak number c 28 F1= 8.058 F2= 2.881 null null d= 4.5
assi (( resid 79 and name HB2
))
(( resid 79 and name HN
))
3.42 2.53 2.53
! peak number n 573 F1= 2.883 F2= 8.091 null null d= 4.0
assi (( resid 79 and name HB2
))
(( resid 80 and name HN
))
3.35 2.00 2.00
! peak number n 365 F1= 3.482 F2= 8.027 null null d= 3.8
assi (( resid 79 and name HN
))
(( resid 80 and name HA2
))
3.18 0.95 0.95
! peak number c 905 F1= 8.089 F2= 4.255 null null d= 4.0
assi (( resid 80 and name HA1
))
(( resid 80 and name HN
))
3.04 1.01 1.01
! peak number c 434 F1= 4.840 F2= 4.255 null null d= 5.8
assi (( resid 80 and name HA1
))
(( resid 81 and name HA) or ( resid 79 and name HA
))
4.41 4.21 4.21
! peak number c 362 F1= 8.502 F2= 4.253 null null d= 5.2
assi (( resid 80 and name HA1
))
(( resid 81 and name HN
))
3.95 1.30 1.30
! peak number c 906 F1= 8.102 F2= 3.535 null null d= 4.0
assi (( resid 80 and name HA2
))
(( resid 80 and name HN
))
3.04 1.00 1.00
! peak number c 361 F1= 8.502 F2= 3.526 null null d= 4.7
assi (( resid 80 and name HA2
))
(( resid 81 and name HN
))
3.57 1.17 1.17
! peak number h 671 F1= 8.062 F2= 4.779 null null d= 5.3
assi (( resid 80 and name HN
))
(( resid 81 and name HA
))
4.08 1.32 1.32
! peak number h 688 F1= 7.059 F2= 8.053 null null d= 5.5
assi (( resid 80 and name HN
))
(( resid 81 and name HD21
))
4.23 3.85 3.85
! peak number h 695 F1= 8.057 F2= 8.445 null null d= 4.0
assi (( resid 80 and name HN
))
(( resid 81 and name HN
))
3.08 1.01 1.01
! peak number c 909 F1= 4.844 F2= 2.951 null null d= 4.6
assi (( resid 81 and name HA
))
(( resid 81 and name HB1
))
3.49 2.59 2.59
! peak number c 908 F1= 4.824 F2= 2.628 null null d= 4.5
assi (( resid 81 and name HA
))
(( resid 81 and name HB2
))
3.42 2.57 2.57
! peak number n 275 F1= 4.815 F2= 7.088 null null d= 4.0
assi (( resid 81 and name HA
))
(( resid 81 and name HD21
))
3.35 2.00 2.00
! peak number n 627 F1= 4.830 F2= 8.301 null null d= 4.2
assi (( resid 81 and name HA
))
(( resid 81 and name HD22
))
3.52 2.21 2.21
! peak number h 1350 F1= 8.450 F2= 4.768 null null d= 4.2
assi (( resid 81 and name HA
))
(( resid 81 and name HN
))
3.23 1.06 1.06
! peak number c 137 F1= 2.077 F2= 4.817 null null d= 4.7
assi (( resid 81 and name HA
))
(( resid 82 and name HB*
))
3.57 2.76 2.76
! peak number c 233 F1= 8.815 F2= 4.815 null null d= 3.9
assi (( resid 81 and name HA
))
(( resid 82 and name HN
))
2.96 0.97 0.97
! peak number c 911 F1= 2.629 F2= 2.944 null null d= 3.9
assi (( resid 81 and name HB1
))
(( resid 81 and name HB2
))
2.96 1.90 1.90
! peak number h 1345 F1= 7.061 F2= 2.893 null null d= 4.2
assi (( resid 81 and name HB1
))
(( resid 81 and name HD21
))
3.23 2.26 2.26
! peak number h 1348 F1= 8.276 F2= 2.894 null null d= 4.2
assi (( resid 81 and name HB1
))
(( resid 81 and name HD22
))
3.23 2.26 2.26
! peak number h 1352 F1= 8.450 F2= 2.896 null null d= 4.2
assi (( resid 81 and name HB1
))
(( resid 81 and name HN
))
3.23 2.21 2.21
! peak number h 1128 F1= 8.723 F2= 2.892 null null d= 5.1
assi (( resid 81 and name HB1
))
(( resid 82 and name HN
))
3.93 3.25 3.25
! peak number h 1344 F1= 7.059 F2= 2.577 null null d= 4.3
assi (( resid 81 and name HB2
))
(( resid 81 and name HD21
))
3.31 2.31 2.31
! peak number h 1354 F1= 8.727 F2= 2.576 null null d= 4.8
assi (( resid 81 and name HB2
))
(( resid 82 and name HN
))
3.69 2.88 2.88
! peak number h 602 F1= 2.564 F2= 1.983 null null d= 4.3
assi (( resid 81 and name HB2) or ( resid 53 and name HB2
))
(( resid 82 and name HB*) or ( resid 56 and name HB2
))
3.31 2.31 2.31
! peak number h 1347 F1= 8.278 F2= 2.574 null null d= 4.4
assi (( resid 81 and name HB2) or ( resid 79 and name HB1
))
(( resid 81 and name HD22
))
3.39 2.42 2.42
! peak number h 1351 F1= 8.448 F2= 2.575 null null d= 4.5
assi (( resid 81 and name HB2) or ( resid 79 and name HB1
))
(( resid 81 and name HN
))
3.46 2.57 2.57
! peak number h 1346 F1= 7.061 F2= 8.271 null null d= 3.3
assi (( resid 81 and name HD21
))
(( resid 81 and name HD22
))
2.54 1.34 1.34
! peak number n 582 F1= 7.122 F2= 8.476 null null d= 4.6
assi (( resid 81 and name HD21
))
(( resid 81 and name HN
))
3.86 2.64 2.64
! peak number c 272 F1= 7.155 F2= 4.394 null null d= 5.1
assi (( resid 81 and name HD21
))
(( resid 82 and name HA
))
3.87 3.25 3.25
! peak number h 875 F1= 8.729 F2= 8.451 null null d= 5.8
assi (( resid 81 and name HN
))
(( resid 82 and name HN
))
4.46 1.45 1.45
! peak number c 918 F1= 2.056 F2= 4.403 null null d= 4.6
assi (( resid 82 and name HA
))
(( resid 82 and name HB*
))
3.49 2.68 2.68
! peak number c 915 F1= 4.408 F2= 2.147 null null d= 4.8
assi (( resid 82 and name HA
))
(( resid 82 and name HG1
))
3.65 2.88 2.88
! peak number c 916 F1= 4.387 F2= 2.290 null null d= 4.8
assi (( resid 82 and name HA
))
(( resid 82 and name HG2
))
3.65 2.88 2.88
! peak number h 769 F1= 8.729 F2= 4.340 null null d= 4.8
assi (( resid 82 and name HA
))
(( resid 82 and name HN
))
3.69 1.19 1.19
! peak number c 923 F1= 8.961 F2= 4.403 null null d= 4.2
assi (( resid 82 and name HA
))
(( resid 83 and name HN
))
3.19 1.04 1.04
! peak number h 970 F1= 4.342 F2= 2.232 null null d= 5.2
assi (( resid 82 and name HA) or ( resid 107 and name HA2
))
(( resid 82 and name HG2) or ( resid 102 and name HB2
))
4.00 3.38 3.38
! peak number c 914 F1= 4.428 F2= 2.049 null null d= 4.0
assi (( resid 82 and name HA) or ( resid 55 and name HA
))
(( resid 82 and name HB*) or ( resid 58 and name HB*
))
3.04 2.00 2.00
! peak number c 919 F1= 8.810 F2= 2.051 null null d= 4.4
assi (( resid 82 and name HB*
))
(( resid 82 and name HN
))
3.34 2.39 2.39
! peak number h 1154 F1= 8.928 F2= 1.983 null null d= 5.0
assi (( resid 82 and name HB*
))
(( resid 83 and name HN
))
3.85 3.12 3.12
! peak number c 924 F1= 8.934 F2= 2.149 null null d= 5.4
assi (( resid 82 and name HG1
))
(( resid 83 and name HN
))
4.10 3.65 3.65
! peak number c 1029 F1= 2.158 F2= 0.627 null null d= 4.7
assi (( resid 82 and name HG1
))
(( resid 84 and name HD1*
))
3.57 2.76 2.76
! peak number n 556 F1= 2.214 F2= 8.726 null null d= 4.1
assi (( resid 82 and name HG2
))
(( resid 82 and name HN
))
3.44 2.10 2.10
! peak number c 925 F1= 8.947 F2= 2.292 null null d= 5.6
assi (( resid 82 and name HG2
))
(( resid 83 and name HN
))
4.25 3.85 3.85
! peak number c 921 F1= 4.490 F2= 3.637 null null d= 4.7
assi (( resid 83 and name HA
))
(( resid 83 and name HB1
))
3.57 2.76 2.76
! peak number c 920 F1= 4.476 F2= 3.548 null null d= 4.5
assi (( resid 83 and name HA
))
(( resid 83 and name HB2
))
3.42 2.59 2.59
! peak number h 1355 F1= 8.930 F2= 4.451 null null d= 5.5
assi (( resid 83 and name HA
))
(( resid 83 and name HN
))
4.23 1.38 1.38
! peak number c 363 F1= 9.046 F2= 4.511 null null d= 4.8
assi (( resid 83 and name HA
))
(( resid 84 and name HN
))
3.65 1.19 1.19
! peak number c 927 F1= 8.981 F2= 3.635 null null d= 4.8
assi (( resid 83 and name HB1
))
(( resid 83 and name HN
))
3.65 2.92 2.92
! peak number c 926 F1= 8.968 F2= 3.546 null null d= 5.3
assi (( resid 83 and name HB2
))
(( resid 83 and name HN
))
4.03 3.58 3.58
! peak number n 559 F1= 1.464 F2= 8.956 null null d= 4.6
assi (( resid 83 and name HN
))
(( resid 84 and name HG1*
))
3.86 2.64 2.64
! peak number c 928 F1= 3.913 F2= 0.630 null null d= 4.6
assi (( resid 84 and name HA
))
(( resid 84 and name HD1*
))
3.49 2.64 2.64
! peak number c 139 F1= 1.452 F2= 3.924 null null d= 4.6
assi (( resid 84 and name HA
))
(( resid 84 and name HG1*
))
3.49 2.64 2.64
! peak number c 138 F1= 0.579 F2= 3.919 null null d= 4.8
assi (( resid 84 and name HA
))
(( resid 84 and name HG2*
))
3.65 2.84 2.84
! peak number c 695 F1= 3.940 F2= 1.449 null null d= 4.9
assi (( resid 84 and name HA) or ( resid 63 and name HA
))
(( resid 84 and name HG1*) or ( resid 63 and name HG
))
3.72 3.00 3.00
! peak number c 931 F1= 1.760 F2= 0.630 null null d= 4.6
assi (( resid 84 and name HB
))
(( resid 84 and name HD1*
))
3.49 2.64 2.64
! peak number c 932 F1= 1.745 F2= 0.545 null null d= 4.2
assi (( resid 84 and name HB
))
(( resid 84 and name HG2*
))
3.19 2.21 2.21
! peak number h 1191 F1= 8.978 F2= 1.729 null null d= 5.2
assi (( resid 84 and name HB
))
(( resid 84 and name HN
))
4.00 3.38 3.38
! peak number c 1240 F1= 0.606 F2= 1.769 null null d= 4.5
assi (( resid 84 and name HB) or ( resid 125 and name HB
))
(( resid 84 and name HD1*) or ( resid 125 and name HD1*
))
3.42 2.53 2.53
! peak number c 1238 F1= 3.930 F2= 1.768 null null d= 5.1
assi (( resid 84 and name HB) or ( resid 125 and name HB
))
(( resid 95 and name HA) or ( resid 84 and name HA) or ( resid 125 and name HA
))
3.87 3.25 3.25
! peak number c 934 F1= 0.627 F2= 1.449 null null d= 4.5
assi (( resid 84 and name HD1*
))
(( resid 84 and name HG1*
))
3.42 2.53 2.53
! peak number c 941 F1= 9.020 F2= 0.627 null null d= 5.7
assi (( resid 84 and name HD1*
))
(( resid 84 and name HN
))
4.33 4.01 4.01
! peak number c 727 F1= -0.018 F2= 0.632 null null d= 5.5
assi (( resid 84 and name HD1*
))
(( resid 88 and name HG1*
))
4.18 3.78 3.78
! peak number h 1332 F1= 6.996 F2= 0.568 null null d= 5.4
assi (( resid 84 and name HD1*
))
(( resid 91 and name HZ) or ( resid 75 and name HD1
))
4.16 3.65 3.65
! peak number c 1035 F1= 1.143 F2= 0.622 null null d= 4.8
assi (( resid 84 and name HD1*
))
(( resid 92 and name HG2*
))
3.65 2.84 2.84
! peak number c 936 F1= 1.452 F2= 0.543 null null d= 4.2
assi (( resid 84 and name HG1*
))
(( resid 84 and name HG2*
))
3.19 2.21 2.21
! peak number c 942 F1= 9.031 F2= 1.449 null null d= 5.1
assi (( resid 84 and name HG1*
))
(( resid 84 and name HN
))
3.87 3.21 3.21
! peak number h 436 F1= 0.496 F2= 1.403 null null d= 5.0
assi (( resid 84 and name HG1*
))
(( resid 88 and name HG2*) or ( resid 84 and name HG2*
))
3.85 3.12 3.12
! peak number c 858 F1= 6.881 F2= 1.459 null null d= 5.2
assi (( resid 84 and name HG1*
))
(( resid 88 and name HN
))
3.95 3.38 3.38
! peak number c 278 F1= 1.462 F2= 1.127 null null d= 3.9
assi (( resid 84 and name HG1*
))
(( resid 92 and name HG2*
))
2.96 1.90 1.90
! peak number c 943 F1= 9.044 F2= 0.541 null null d= 5.5
assi (( resid 84 and name HG2*
))
(( resid 84 and name HN
))
4.18 3.83 3.83
! peak number c 947 F1= 2.277 F2= 0.545 null null d= 4.5
assi (( resid 84 and name HG2*
))
(( resid 85 and name HD1
))
3.42 2.53 2.53
! peak number c 951 F1= 3.781 F2= 0.546 null null d= 4.6
assi (( resid 84 and name HG2*
))
(( resid 85 and name HD2
))
3.49 2.64 2.64
! peak number c 970 F1= 1.583 F2= 0.541 null null d= 4.1
assi (( resid 84 and name HG2*
))
(( resid 88 and name HB
))
3.11 2.10 2.10
! peak number c 728 F1= -0.028 F2= 0.548 null null d= 4.9
assi (( resid 84 and name HG2*
))
(( resid 88 and name HG1*
))
3.72 3.00 3.00
! peak number c 859 F1= 6.897 F2= 0.541 null null d= 4.9
assi (( resid 84 and name HG2*
))
(( resid 88 and name HN
))
3.72 3.00 3.00
! peak number c 994 F1= 7.371 F2= 0.548 null null d= 4.8
assi (( resid 84 and name HG2*
))
(( resid 89 and name HN
))
3.65 2.88 2.88
! peak number c 335 F1= 3.094 F2= 0.551 null null d= 5.5
assi (( resid 84 and name HG2*
))
(( resid 91 and name HB2) or ( resid 75 and name HB2) or ( resid 132 and name HB2
))
4.18 3.78 3.78
! peak number c 1036 F1= 1.130 F2= 0.545 null null d= 4.4
assi (( resid 84 and name HG2*
))
(( resid 92 and name HG2*
))
3.34 2.42 2.42
! peak number c 944 F1= 3.890 F2= 1.957 null null d= 4.7
assi (( resid 85 and name HA
))
(( resid 85 and name HB*
))
3.57 2.70 2.70
! peak number c 945 F1= 3.876 F2= 1.320 null null d= 5.0
assi (( resid 85 and name HA
))
(( resid 85 and name HG1
))
3.80 3.12 3.12
! peak number c 214 F1= 8.258 F2= 3.862 null null d= 5.0
assi (( resid 85 and name HA
))
(( resid 87 and name HN
))
3.80 1.25 1.25
! peak number c 954 F1= 1.339 F2= 1.951 null null d= 4.6
assi (( resid 85 and name HB*
))
(( resid 85 and name HG1
))
3.49 2.64 2.64
! peak number c 283 F1= 7.373 F2= 1.956 null null d= 4.8
assi (( resid 85 and name HB*
))
(( resid 89 and name HN
))
3.65 2.88 2.88
! peak number c 284 F1= 7.788 F2= 1.954 null null d= 5.0
assi (( resid 85 and name HB*
))
(( resid 90 and name HN
))
3.80 3.12 3.12
! peak number c 948 F1= 2.258 F2= 3.799 null null d= 4.8
assi (( resid 85 and name HD1
))
(( resid 85 and name HD2
))
3.65 2.88 2.88
! peak number c 949 F1= 2.276 F2= 1.323 null null d= 5.0
assi (( resid 85 and name HD1
))
(( resid 85 and name HG1
))
3.80 3.16 3.16
! peak number c 950 F1= 2.290 F2= 1.817 null null d= 4.4
assi (( resid 85 and name HD1
))
(( resid 85 and name HG2
))
3.34 2.42 2.42
! peak number c 939 F1= 0.542 F2= 2.273 null null d= 5.2
assi (( resid 85 and name HD1
))
(( resid 88 and name HG2*) or ( resid 84 and name HG2*
))
3.95 3.38 3.38
! peak number h 1195 F1= 2.226 F2= 6.994 null null d= 5.6
assi (( resid 85 and name HD1) or ( resid 128 and name HB2
))
(( resid 91 and name HZ) or ( resid 75 and name HD1
))
4.31 3.92 3.92
! peak number c 953 F1= 3.796 F2= 1.323 null null d= 5.2
assi (( resid 85 and name HD2
))
(( resid 85 and name HG1
))
3.95 3.32 3.32
! peak number c 958 F1= 1.824 F2= 3.797 null null d= 5.3
assi (( resid 85 and name HD2
))
(( resid 85 and name HG2
))
4.03 3.51 3.51
! peak number c 940 F1= 0.542 F2= 3.797 null null d= 5.1
assi (( resid 85 and name HD2
))
(( resid 88 and name HG2*) or ( resid 84 and name HG2*
))
3.87 3.25 3.25
! peak number c 957 F1= 1.335 F2= 1.816 null null d= 4.2
assi (( resid 85 and name HG1
))
(( resid 85 and name HG2
))
3.19 2.20 2.20
! peak number c 279 F1= -0.027 F2= 1.325 null null d= 4.5
assi (( resid 85 and name HG1
))
(( resid 88 and name HG1*
))
3.42 2.53 2.53
! peak number h 85 F1= 1.288 F2= 6.791 null null d= 5.7
assi (( resid 85 and name HG1
))
(( resid 88 and name HN
))
4.39 4.06 4.06
! peak number c 271 F1= -0.021 F2= 1.814 null null d= 5.0
assi (( resid 85 and name HG2
))
(( resid 88 and name HG1*
))
3.80 3.06 3.06
! peak number h 362 F1= 1.792 F2= 0.902 null null d= 5.2
assi (( resid 85 and name HG2
))
(( resid 90 and name HG2*
))
4.00 3.38 3.38
! peak number h 254 F1= 3.926 F2= 7.803 null null d= 4.5
assi (( resid 86 and name HA
))
(( resid 86 and name HN
))
3.46 1.12 1.12
! peak number h 309 F1= 4.281 F2= 7.796 null null d= 5.8
assi (( resid 86 and name HN
))
(( resid 87 and name HA1
))
4.46 1.44 1.44
! peak number h 1107 F1= 7.799 F2= 1.605 null null d= 5.3
assi (( resid 86 and name HN
))
(( resid 89 and name HB1
))
4.08 3.51 3.51
! peak number c 966 F1= 8.227 F2= 4.330 null null d= 5.1
assi (( resid 87 and name HA1
))
(( resid 87 and name HN
))
3.87 1.27 1.27
! peak number c 983 F1= 6.871 F2= 4.330 null null d= 5.4
assi (( resid 87 and name HA1
))
(( resid 88 and name HN
))
4.10 1.35 1.35
! peak number h 789 F1= 6.793 F2= 4.280 null null d= 4.8
assi (( resid 87 and name HA1) or ( resid 45 and name HA
))
(( resid 88 and name HN) or ( resid 49 and name HD21
))
3.69 2.88 2.88
! peak number c 965 F1= 8.214 F2= 3.976 null null d= 4.7
assi (( resid 87 and name HA2
))
(( resid 87 and name HN
))
3.57 1.18 1.18
! peak number c 982 F1= 6.857 F2= 3.969 null null d= 5.0
assi (( resid 87 and name HA2
))
(( resid 88 and name HN
))
3.80 1.25 1.25
! peak number c 453 F1= 0.852 F2= 3.970 null null d= 4.8
assi (( resid 87 and name HA2
))
(( resid 90 and name HD1*
))
3.65 2.88 2.88
! peak number c 58 F1= 3.944 F2= 0.954 null null d= 4.7
assi (( resid 87 and name HA2
))
(( resid 90 and name HG2*
))
3.57 2.76 2.76
! peak number n 593 F1= 3.948 F2= 7.770 null null d= 4.5
assi (( resid 87 and name HA2
))
(( resid 90 and name HN
))
3.77 1.12 1.12
! peak number h 746 F1= 7.388 F2= 3.911 null null d= 5.3
assi (( resid 87 and name HA2
))
(( resid 91 and name HN
))
4.08 1.32 1.32
! peak number h 166 F1= 3.933 F2= 1.900 null null d= 4.8
assi (( resid 87 and name HA2) or ( resid 86 and name HA
))
(( resid 90 and name HB) or ( resid 85 and name HB*
))
3.69 2.88 2.88
! peak number h 258 F1= 3.934 F2= 7.730 null null d= 5.4
assi (( resid 87 and name HA2) or ( resid 86 and name HA) or ( resid 113 and name HA
))
(( resid 90 and name HN) or ( resid 115 and name HN
))
4.16 3.65 3.65
! peak number n 632 F1= 6.848 F2= 8.223 null null d= 4.5
assi (( resid 87 and name HN
))
(( resid 88 and name HN
))
3.77 1.12 1.12
! peak number c 974 F1= -0.014 F2= 3.537 null null d= 4.6
assi (( resid 88 and name HA
))
(( resid 88 and name HG1*
))
3.49 2.64 2.64
! peak number c 984 F1= 6.871 F2= 3.539 null null d= 5.5
assi (( resid 88 and name HA
))
(( resid 88 and name HN
))
4.18 1.38 1.38
! peak number c 978 F1= 0.498 F2= 3.539 null null d= 4.4
assi (( resid 88 and name HA
))
(( resid 89 and name HD2*) or ( resid 89 and name HD1*
))
3.34 2.42 2.42
! peak number c 995 F1= 7.375 F2= 3.537 null null d= 4.8
assi (( resid 88 and name HA
))
(( resid 91 and name HN) or ( resid 89 and name HN
))
3.65 2.88 2.88
! peak number c 969 F1= 3.531 F2= 0.538 null null d= 4.3
assi (( resid 88 and name HA) or ( resid 132 and name HB1
))
(( resid 88 and name HG2*
))
3.27 2.31 2.31
! peak number c 968 F1= 3.551 F2= -0.021 null null d= 4.1
assi (( resid 88 and name HA) or ( resid 64 and name HA) or ( resid 132 and name HB1
))
(( resid 88 and name HG1*) or ( resid 63 and name HD1*
))
3.11 2.10 2.10
! peak number c 972 F1= 1.547 F2= -0.016 null null d= 4.7
assi (( resid 88 and name HB
))
(( resid 88 and name HG1*
))
3.57 2.76 2.76
! peak number c 973 F1= 1.554 F2= 0.536 null null d= 3.9
assi (( resid 88 and name HB
))
(( resid 88 and name HG2*
))
2.96 1.90 1.90
! peak number c 979 F1= 0.545 F2= 1.579 null null d= 4.6
assi (( resid 88 and name HB
))
(( resid 88 and name HG2*) or ( resid 84 and name HG2*
))
3.49 2.64 2.64
! peak number c 985 F1= 6.898 F2= 1.579 null null d= 5.0
assi (( resid 88 and name HB
))
(( resid 88 and name HN
))
3.80 3.06 3.06
! peak number n 490 F1= 1.555 F2= 7.358 null null d= 4.6
assi (( resid 88 and name HB
))
(( resid 89 and name HN
))
3.86 2.64 2.64
! peak number c 977 F1= -0.054 F2= 0.536 null null d= 4.0
assi (( resid 88 and name HG1*
))
(( resid 88 and name HG2*
))
3.04 2.00 2.00
! peak number c 980 F1= 0.511 F2= -0.028 null null d= 3.6
assi (( resid 88 and name HG1*
))
(( resid 88 and name HG2*) or ( resid 84 and name HG2*
))
2.73 1.62 1.62
! peak number c 986 F1= 6.855 F2= -0.019 null null d= 4.2
assi (( resid 88 and name HG1*
))
(( resid 88 and name HN
))
3.19 2.21 2.21
! peak number c 996 F1= 7.348 F2= -0.021 null null d= 4.2
assi (( resid 88 and name HG1*
))
(( resid 89 and name HN
))
3.19 2.21 2.21
! peak number h 1052 F1= 7.188 F2= -0.052 null null d= 5.1
assi (( resid 88 and name HG1*) or ( resid 63 and name HD1*
))
(( resid 91 and name HD*
))
3.93 3.25 3.25
! peak number c 334 F1= 7.264 F2= -0.017 null null d= 4.1
assi (( resid 88 and name HG1*) or ( resid 63 and name HD1*
))
(( resid 91 and name HD*) or ( resid 66 and name HE*) or ( resid 133 and name HN
))
3.11 2.10 2.10
! peak number c 314 F1= 7.120 F2= -0.017 null null d= 4.0
assi (( resid 88 and name HG1*) or ( resid 63 and name HD1*
))
(( resid 91 and name HE*) or ( resid 132 and name HD*
))
3.04 2.00 2.00
! peak number h 1488 F1= 7.392 F2= -0.054 null null d= 5.4
assi (( resid 88 and name HG1*) or ( resid 63 and name HD1*
))
(( resid 91 and name HN) or ( resid 66 and name HD*) or ( resid 117 and name HN
))
4.16 3.65 3.65
! peak number c 987 F1= 6.884 F2= 0.536 null null d= 5.0
assi (( resid 88 and name HG2*
))
(( resid 88 and name HN
))
3.80 3.12 3.12
! peak number h 1033 F1= 7.199 F2= 0.488 null null d= 6.1
assi (( resid 88 and name HG2*
))
(( resid 91 and name HD*
))
4.70 4.65 4.65
! peak number c 997 F1= 7.279 F2= 0.525 null null d= 4.5
assi (( resid 88 and name HG2*
))
(( resid 91 and name HD*) or ( resid 133 and name HN
))
3.42 2.53 2.53
! peak number h 1322 F1= 6.998 F2= 0.496 null null d= 4.8
assi (( resid 88 and name HG2*) or ( resid 84 and name HG2*
))
(( resid 91 and name HZ) or ( resid 75 and name HD1
))
3.69 2.94 2.94
! peak number c 988 F1= 3.615 F2= 1.633 null null d= 5.7
assi (( resid 89 and name HA
))
(( resid 89 and name HB*
))
4.33 4.06 4.06
! peak number c 991 F1= 0.527 F2= 3.624 null null d= 5.3
assi (( resid 89 and name HA
))
(( resid 89 and name HD2*) or ( resid 89 and name HD1*) or ( resid 84 and name HG2*
))
4.03 3.51 3.51
! peak number c 998 F1= 7.353 F2= 3.625 null null d= 5.8
assi (( resid 89 and name HA
))
(( resid 89 and name HN
))
4.41 1.45 1.45
! peak number h 1277 F1= 7.392 F2= 3.567 null null d= 4.5
assi (( resid 89 and name HA
))
(( resid 91 and name HN
))
3.46 1.12 1.12
! peak number c 276 F1= 2.144 F2= 3.625 null null d= 5.6
assi (( resid 89 and name HA
))
(( resid 92 and name HB
))
4.25 3.92 3.92
! peak number c 87 F1= 3.592 F2= 1.132 null null d= 4.3
assi (( resid 89 and name HA
))
(( resid 92 and name HG2*
))
3.27 2.31 2.31
! peak number h 355 F1= 1.599 F2= 1.169 null null d= 4.8
assi (( resid 89 and name HB1
))
(( resid 89 and name HG
))
3.69 2.88 2.88
! peak number n 492 F1= 1.616 F2= 7.780 null null d= 4.3
assi (( resid 89 and name HB1
))
(( resid 90 and name HN
))
3.60 2.31 2.31
! peak number h 932 F1= 1.603 F2= 7.383 null null d= 6.2
assi (( resid 89 and name HB1
))
(( resid 91 and name HN
))
4.77 4.81 4.81
! peak number c 990 F1= 1.677 F2= 0.523 null null d= 5.0
assi (( resid 89 and name HB*
))
(( resid 89 and name HD2*) or ( resid 89 and name HD1*
))
3.80 3.06 3.06
! peak number c 999 F1= 7.362 F2= 1.632 null null d= 5.5
assi (( resid 89 and name HB*
))
(( resid 89 and name HN
))
4.18 3.78 3.78
! peak number h 1361 F1= 0.489 F2= 7.373 null null d= 5.2
assi (( resid 89 and name HD1*) or ( resid 88 and name HG2*) or ( resid 84 and name HG2*
))
(( resid 89 and name HN
))
4.00 3.38 3.38
! peak number h 387 F1= 0.886 F2= 0.490 null null d= 5.3
assi (( resid 89 and name HD2*) or ( resid 88 and name HG2*) or ( resid 84 and name HG2*
))
(( resid 92 and name HG1*
))
4.08 3.51 3.51
! peak number c 989 F1= 3.606 F2= 0.527 null null d= 5.0
assi (( resid 89 and name HD2*) or ( resid 89 and name HD1*
))
(( resid 90 and name HA) or ( resid 89 and name HA
))
3.80 3.12 3.12
! peak number c 930 F1= 3.937 F2= 0.527 null null d= 5.0
assi (( resid 89 and name HD2*) or ( resid 89 and name HD1*
))
(( resid 91 and name HA) or ( resid 87 and name HA2) or ( resid 84 and name HA
))
3.80 3.12 3.12
! peak number n 237 F1= 0.454 F2= 7.405 null null d= 4.5
assi (( resid 89 and name HD2*) or ( resid 89 and name HD1*
))
(( resid 91 and name HN
))
3.77 2.53 2.53
! peak number h 438 F1= 0.492 F2= 1.535 null null d= 4.5
assi (( resid 89 and name HD2*) or ( resid 89 and name HD1*
))
(( resid 94 and name HG*
))
3.46 2.53 2.53
! peak number h 1374 F1= 1.080 F2= 0.496 null null d= 4.8
assi (( resid 89 and name HD2*) or ( resid 89 and name HD1*) or ( resid 84 and name HG2*
))
(( resid 92 and name HG2*
))
3.69 2.82 2.82
! peak number h 949 F1= 7.387 F2= 0.489 null null d= 6.3
assi (( resid 89 and name HD2*) or ( resid 89 and name HD1*) or ( resid 88 and name HG2*
))
(( resid 91 and name HN
))
4.85 4.96 4.96
! peak number h 961 F1= 7.187 F2= 1.180 null null d= 5.8
assi (( resid 89 and name HG
))
(( resid 91 and name HD*
))
4.46 4.21 4.21
! peak number c 22 F1= 7.348 F2= 0.957 null null d= 4.9
assi (( resid 89 and name HN
))
(( resid 90 and name HG2*
))
3.72 3.00 3.00
! peak number c 1000 F1= 3.579 F2= 1.967 null null d= 5.1
assi (( resid 90 and name HA
))
(( resid 90 and name HB
))
3.87 3.25 3.25
! peak number c 1006 F1= 0.832 F2= 3.589 null null d= 4.3
assi (( resid 90 and name HA
))
(( resid 90 and name HD1*
))
3.27 2.31 2.31
! peak number c 1001 F1= 3.585 F2= 1.195 null null d= 5.2
assi (( resid 90 and name HA
))
(( resid 90 and name HG11
))
3.95 3.38 3.38
! peak number c 1003 F1= 3.572 F2= 0.951 null null d= 4.3
assi (( resid 90 and name HA
))
(( resid 90 and name HG2*
))
3.27 2.37 2.37
! peak number c 140 F1= 7.780 F2= 3.595 null null d= 5.1
assi (( resid 90 and name HA
))
(( resid 90 and name HN
))
3.87 1.28 1.28
! peak number c 431 F1= 8.601 F2= 3.592 null null d= 5.5
assi (( resid 90 and name HA
))
(( resid 94 and name HN) or ( resid 93 and name HN
))
4.18 3.78 3.78
! peak number c 1002 F1= 3.585 F2= 1.676 null null d= 4.5
assi (( resid 90 and name HA) or ( resid 132 and name HB1
))
(( resid 90 and name HG12) or ( resid 68 and name HD*
))
3.42 2.53 2.53
! peak number n 633 F1= 3.598 F2= 7.404 null null d= 3.8
assi (( resid 90 and name HA) or ( resid 89 and name HA
))
(( resid 91 and name HN
))
3.18 1.80 1.80
! peak number n 54 F1= 3.607 F2= 8.620 null null d= 4.4
assi (( resid 90 and name HA) or ( resid 89 and name HA
))
(( resid 93 and name HN
))
3.69 2.42 2.42
! peak number c 1007 F1= 0.832 F2= 1.963 null null d= 4.0
assi (( resid 90 and name HB
))
(( resid 90 and name HD1*
))
3.04 2.00 2.00
! peak number c 1005 F1= 1.944 F2= 0.953 null null d= 4.1
assi (( resid 90 and name HB
))
(( resid 90 and name HG2*
))
3.11 2.08 2.08
! peak number c 1014 F1= 7.770 F2= 1.965 null null d= 5.0
assi (( resid 90 and name HB
))
(( resid 90 and name HN
))
3.80 3.06 3.06
! peak number h 909 F1= 3.861 F2= 1.897 null null d= 5.2
assi (( resid 90 and name HB
))
(( resid 91 and name HA
))
4.00 3.38 3.38
! peak number c 1024 F1= 7.402 F2= 1.967 null null d= 4.8
assi (( resid 90 and name HB
))
(( resid 91 and name HN
))
3.65 2.92 2.92
! peak number h 628 F1= 1.901 F2= 3.935 null null d= 4.6
assi (( resid 90 and name HB) or ( resid 100 and name HB2
))
(( resid 94 and name HA) or ( resid 107 and name HA1
))
3.54 2.64 2.64
! peak number c 1008 F1= 0.845 F2= 1.190 null null d= 4.0
assi (( resid 90 and name HD1*
))
(( resid 90 and name HG11
))
3.04 2.00 2.00
! peak number c 96 F1= 1.675 F2= 0.869 null null d= 4.0
assi (( resid 90 and name HD1*
))
(( resid 90 and name HG12
))
3.04 2.00 2.00
! peak number h 1069 F1= 7.731 F2= 0.804 null null d= 5.3
assi (( resid 90 and name HD1*
))
(( resid 90 and name HN
))
4.08 3.51 3.51
! peak number c 142 F1= 0.850 F2= 3.914 null null d= 4.5
assi (( resid 90 and name HD1*
))
(( resid 91 and name HA
))
3.42 2.48 2.48
! peak number h 154 F1= 0.802 F2= 7.190 null null d= 5.3
assi (( resid 90 and name HD1*
))
(( resid 91 and name HD*
))
4.08 3.58 3.58
! peak number h 338 F1= 1.316 F2= 0.810 null null d= 4.7
assi (( resid 90 and name HD1*
))
(( resid 93 and name HB*
))
3.62 2.76 2.76
! peak number c 1051 F1= 0.899 F2= 3.002 null null d= 4.2
assi (( resid 90 and name HD1*
))
(( resid 94 and name HE*
))
3.19 2.21 2.21
! peak number c 1010 F1= 1.684 F2= 1.192 null null d= 4.4
assi (( resid 90 and name HG11
))
(( resid 90 and name HG12
))
3.34 2.42 2.42
! peak number c 1015 F1= 7.770 F2= 1.188 null null d= 5.1
assi (( resid 90 and name HG11
))
(( resid 90 and name HN
))
3.87 3.29 3.29
! peak number n 635 F1= 1.156 F2= 7.410 null null d= 4.6
assi (( resid 90 and name HG11
))
(( resid 91 and name HN
))
3.86 2.64 2.64
! peak number c 1011 F1= 1.656 F2= 0.954 null null d= 4.2
assi (( resid 90 and name HG12
))
(( resid 90 and name HG2*
))
3.19 2.21 2.21
! peak number c 1016 F1= 7.784 F2= 1.679 null null d= 5.1
assi (( resid 90 and name HG12
))
(( resid 90 and name HN
))
3.87 3.25 3.25
! peak number n 636 F1= 1.635 F2= 7.405 null null d= 4.7
assi (( resid 90 and name HG12
))
(( resid 91 and name HN
))
3.94 2.76 2.76
! peak number c 1017 F1= 7.743 F2= 0.951 null null d= 5.3
assi (( resid 90 and name HG2*
))
(( resid 90 and name HN
))
4.03 3.48 3.48
! peak number h 151 F1= 0.901 F2= 7.381 null null d= 5.2
assi (( resid 90 and name HG2*
))
(( resid 91 and name HN
))
4.00 3.38 3.38
! peak number c 94 F1= 3.010 F2= 0.954 null null d= 4.4
assi (( resid 90 and name HG2*
))
(( resid 94 and name HE*
))
3.34 2.42 2.42
! peak number c 1021 F1= 3.517 F2= 3.919 null null d= 4.6
assi (( resid 91 and name HA
))
(( resid 91 and name HB1
))
3.49 2.64 2.64
! peak number c 1018 F1= 3.913 F2= 3.058 null null d= 4.8
assi (( resid 91 and name HA
))
(( resid 91 and name HB2
))
3.65 2.94 2.94
! peak number c 1023 F1= 7.366 F2= 3.919 null null d= 4.7
assi (( resid 91 and name HA
))
(( resid 91 and name HN
))
3.57 1.18 1.18
! peak number c 141 F1= 2.173 F2= 3.919 null null d= 5.1
assi (( resid 91 and name HA
))
(( resid 92 and name HB) or ( resid 64 and name HB
))
3.87 3.25 3.25
! peak number c 1038 F1= 8.473 F2= 3.919 null null d= 5.3
assi (( resid 91 and name HA
))
(( resid 92 and name HN
))
4.03 1.32 1.32
! peak number h 1165 F1= 6.998 F2= 3.876 null null d= 5.7
assi (( resid 91 and name HA) or ( resid 84 and name HA
))
(( resid 91 and name HZ) or ( resid 75 and name HD1
))
4.39 4.06 4.06
! peak number c 1020 F1= 3.054 F2= 3.537 null null d= 4.6
assi (( resid 91 and name HB1
))
(( resid 91 and name HB2
))
3.49 2.64 2.64
! peak number h 1365 F1= 7.190 F2= 3.463 null null d= 5.7
assi (( resid 91 and name HB1
))
(( resid 91 and name HD*
))
4.39 4.06 4.06
! peak number c 100 F1= 7.385 F2= 3.525 null null d= 4.5
assi (( resid 91 and name HB1
))
(( resid 91 and name HN
))
3.42 2.53 2.53
! peak number h 1363 F1= 7.189 F2= 2.981 null null d= 5.9
assi (( resid 91 and name HB2
))
(( resid 91 and name HD*
))
4.54 4.35 4.35
! peak number c 99 F1= 7.360 F2= 3.051 null null d= 4.7
assi (( resid 91 and name HB2
))
(( resid 91 and name HN
))
3.57 2.72 2.72
! peak number n 496 F1= 3.005 F2= 8.456 null null d= 4.6
assi (( resid 91 and name HB2
))
(( resid 92 and name HN
))
3.86 2.64 2.64
! peak number h 1364 F1= 7.191 F2= 7.077 null null d= 4.0
assi (( resid 91 and name HD*
))
(( resid 91 and name HE*
))
3.08 2.00 2.00
! peak number n 642 F1= 7.195 F2= 7.406 null null d= 4.6
assi (( resid 91 and name HD*
))
(( resid 91 and name HN
))
3.86 2.64 2.64
! peak number c 130 F1= 7.223 F2= 2.892 null null d= 5.7
assi (( resid 91 and name HD*
))
(( resid 92 and name HA
))
4.33 3.99 3.99
! peak number c 327 F1= 7.262 F2= 1.124 null null d= 4.1
assi (( resid 91 and name HD*
))
(( resid 92 and name HG2*
))
3.11 2.10 2.10
! peak number h 531 F1= 1.542 F2= 7.194 null null d= 5.7
assi (( resid 91 and name HD*
))
(( resid 94 and name HG*
))
4.39 4.06 4.06
! peak number h 904 F1= 8.532 F2= 7.199 null null d= 5.4
assi (( resid 91 and name HD*
))
(( resid 94 and name HN
))
4.16 3.65 3.65
! peak number h 829 F1= 7.195 F2= 0.878 null null d= 4.8
assi (( resid 91 and name HD*
))
(( resid 95 and name HB*
))
3.69 2.88 2.88
! peak number h 145 F1= 0.878 F2= 7.196 null null d= 4.6
assi (( resid 91 and name HD*
))
(( resid 95 and name HB*) or ( resid 92 and name HG1*
))
3.54 2.64 2.64
! peak number h 1087 F1= 7.075 F2= 7.389 null null d= 4.6
assi (( resid 91 and name HE*
))
(( resid 91 and name HN) or ( resid 66 and name HD*
))
3.54 2.64 2.64
! peak number c 322 F1= 7.403 F2= 2.895 null null d= 5.7
assi (( resid 91 and name HN
))
(( resid 92 and name HA
))
4.33 1.43 1.43
! peak number n 489 F1= 2.170 F2= 7.404 null null d= 4.6
assi (( resid 91 and name HN
))
(( resid 92 and name HB
))
3.86 2.64 2.64
! peak number n 51 F1= 7.409 F2= 8.446 null null d= 4.8
assi (( resid 91 and name HN
))
(( resid 92 and name HN
))
4.02 1.20 1.20
! peak number n 504 F1= 7.376 F2= 8.615 null null d= 4.6
assi (( resid 91 and name HN
))
(( resid 93 and name HN
))
3.86 1.15 1.15
! peak number c 437 F1= 7.396 F2= 0.917 null null d= 4.7
assi (( resid 91 and name HN
))
(( resid 95 and name HB*
))
3.57 2.76 2.76
! peak number c 1030 F1= 2.154 F2= 2.887 null null d= 5.2
assi (( resid 92 and name HA
))
(( resid 92 and name HB
))
3.95 3.32 3.32
! peak number c 1027 F1= 2.911 F2= 0.938 null null d= 4.5
assi (( resid 92 and name HA
))
(( resid 92 and name HG1*
))
3.42 2.57 2.57
! peak number c 1028 F1= 2.883 F2= 1.131 null null d= 4.4
assi (( resid 92 and name HA
))
(( resid 92 and name HG2*
))
3.34 2.45 2.45
! peak number c 136 F1= 8.513 F2= 2.885 null null d= 5.5
assi (( resid 92 and name HA
))
(( resid 92 and name HN
))
4.18 1.38 1.38
! peak number h 1380 F1= 8.581 F2= 2.843 null null d= 5.7
assi (( resid 92 and name HA
))
(( resid 93 and name HN
))
4.39 1.43 1.43
! peak number c 1034 F1= 0.954 F2= 2.887 null null d= 4.2
assi (( resid 92 and name HA
))
(( resid 95 and name HB*) or ( resid 60 and name HG2*) or ( resid 60 and name HG1*
))
3.19 2.21 2.21
! peak number c 430 F1= 8.837 F2= 2.887 null null d= 5.6
assi (( resid 92 and name HA
))
(( resid 95 and name HN
))
4.25 1.40 1.40
! peak number c 1031 F1= 2.174 F2= 0.940 null null d= 4.1
assi (( resid 92 and name HB
))
(( resid 92 and name HG1*
))
3.11 2.14 2.14
! peak number c 1032 F1= 2.161 F2= 1.131 null null d= 4.5
assi (( resid 92 and name HB
))
(( resid 92 and name HG2*
))
3.42 2.49 2.49
! peak number h 1377 F1= 8.421 F2= 2.111 null null d= 4.9
assi (( resid 92 and name HB
))
(( resid 92 and name HN
))
3.77 3.00 3.00
! peak number h 1381 F1= 8.583 F2= 2.108 null null d= 4.7
assi (( resid 92 and name HB
))
(( resid 93 and name HN
))
3.62 2.70 2.70
! peak number h 390 F1= 1.078 F2= 0.890 null null d= 3.9
assi (( resid 92 and name HG1*
))
(( resid 92 and name HG2*
))
3.00 1.90 1.90
! peak number h 10 F1= 0.889 F2= 8.424 null null d= 5.2
assi (( resid 92 and name HG1*
))
(( resid 92 and name HN
))
4.00 3.34 3.34
! peak number h 1382 F1= 8.585 F2= 0.888 null null d= 4.6
assi (( resid 92 and name HG1*
))
(( resid 93 and name HN
))
3.54 2.64 2.64
! peak number h 337 F1= 1.314 F2= 0.890 null null d= 4.7
assi (( resid 92 and name HG1*) or ( resid 41 and name HG2*
))
(( resid 93 and name HB*) or ( resid 44 and name HB1
))
3.62 2.76 2.76
! peak number c 1039 F1= 8.466 F2= 1.131 null null d= 4.5
assi (( resid 92 and name HG2*
))
(( resid 92 and name HN
))
3.42 2.56 2.56
! peak number h 1383 F1= 8.585 F2= 1.081 null null d= 5.7
assi (( resid 92 and name HG2*
))
(( resid 93 and name HN
))
4.39 4.06 4.06
! peak number n 52 F1= 8.608 F2= 8.446 null null d= 4.7
assi (( resid 92 and name HN
))
(( resid 93 and name HN
))
3.94 1.18 1.18
! peak number c 1040 F1= 3.796 F2= 1.367 null null d= 4.1
assi (( resid 93 and name HA
))
(( resid 93 and name HB*
))
3.11 2.10 2.10
! peak number c 1042 F1= 8.595 F2= 3.785 null null d= 4.7
assi (( resid 93 and name HA
))
(( resid 93 and name HN
))
3.57 1.18 1.18
! peak number h 745 F1= 8.542 F2= 3.734 null null d= 5.6
assi (( resid 93 and name HA
))
(( resid 94 and name HN
))
4.31 1.40 1.40
! peak number n 295 F1= 3.753 F2= 8.816 null null d= 4.2
assi (( resid 93 and name HA
))
(( resid 96 and name HN
))
3.52 1.05 1.05
! peak number c 432 F1= 8.857 F2= 3.785 null null d= 5.7
assi (( resid 93 and name HA
))
(( resid 96 and name HN) or ( resid 95 and name HN
))
4.33 4.06 4.06
! peak number h 1385 F1= 8.583 F2= 1.313 null null d= 4.3
assi (( resid 93 and name HB*
))
(( resid 93 and name HN
))
3.31 2.31 2.31
! peak number h 1025 F1= 8.542 F2= 1.315 null null d= 5.1
assi (( resid 93 and name HB*
))
(( resid 94 and name HN
))
3.93 3.25 3.25
! peak number c 1043 F1= 8.622 F2= 1.367 null null d= 3.8
assi (( resid 93 and name HB*
))
(( resid 94 and name HN) or ( resid 93 and name HN
))
2.88 1.80 1.80
! peak number c 436 F1= 1.368 F2= 3.962 null null d= 5.4
assi (( resid 93 and name HB*) or ( resid 129 and name HB2
))
(( resid 95 and name HA
))
4.10 3.65 3.65
! peak number n 487 F1= 8.592 F2= 8.841 null null d= 4.7
assi (( resid 93 and name HN
))
(( resid 95 and name HN
))
3.94 1.16 1.16
! peak number h 164 F1= 3.932 F2= 1.837 null null d= 5.1
assi (( resid 94 and name HA
))
(( resid 94 and name HB1
))
3.93 3.25 3.25
! peak number c 133 F1= 1.629 F2= 3.986 null null d= 4.0
assi (( resid 94 and name HA
))
(( resid 94 and name HB2
))
3.04 2.00 2.00
! peak number c 1044 F1= 3.974 F2= 2.985 null null d= 4.4
assi (( resid 94 and name HA
))
(( resid 94 and name HE*
))
3.34 2.42 2.42
! peak number c 90 F1= 4.001 F2= 1.605 null null d= 4.3
assi (( resid 94 and name HA
))
(( resid 94 and name HG*
))
3.27 2.31 2.31
! peak number c 1046 F1= 8.574 F2= 3.982 null null d= 5.2
assi (( resid 94 and name HA
))
(( resid 94 and name HN
))
3.95 1.29 1.29
! peak number n 646 F1= 3.953 F2= 6.867 null null d= 4.6
assi (( resid 94 and name HA
))
(( resid 97 and name HE21
))
3.86 2.64 2.64
! peak number h 265 F1= 3.930 F2= 8.443 null null d= 5.5
assi (( resid 94 and name HA
))
(( resid 97 and name HN
))
4.23 1.38 1.38
! peak number c 1059 F1= 3.989 F2= 2.219 null null d= 4.3
assi (( resid 94 and name HA) or ( resid 65 and name HA
))
(( resid 97 and name HB1) or ( resid 65 and name HB1
))
3.27 2.31 2.31
! peak number h 1144 F1= 8.536 F2= 1.835 null null d= 5.5
assi (( resid 94 and name HB1
))
(( resid 94 and name HN
))
4.23 3.78 3.78
! peak number h 1190 F1= 8.815 F2= 1.831 null null d= 5.2
assi (( resid 94 and name HB1
))
(( resid 95 and name HN
))
4.00 3.45 3.45
! peak number n 296 F1= 1.821 F2= 8.816 null null d= 4.5
assi (( resid 94 and name HB1
))
(( resid 96 and name HN
))
3.77 2.53 2.53
! peak number c 81 F1= 2.974 F2= 1.883 null null d= 4.9
assi (( resid 94 and name HB1) or ( resid 127 and name HB1
))
(( resid 94 and name HE*) or ( resid 127 and name HE*
))
3.72 3.00 3.00
! peak number n 198 F1= 1.607 F2= 8.841 null null d= 4.2
assi (( resid 94 and name HB2
))
(( resid 95 and name HN
))
3.52 2.21 2.21
! peak number c 12 F1= 1.668 F2= 2.227 null null d= 4.5
assi (( resid 94 and name HB2
))
(( resid 97 and name HB1
))
3.42 2.53 2.53
! peak number c 1045 F1= 1.669 F2= 2.266 null null d= 4.5
assi (( resid 94 and name HB2
))
(( resid 97 and name HB2
))
3.42 2.53 2.53
! peak number n 206 F1= 1.642 F2= 6.873 null null d= 4.6
assi (( resid 94 and name HB2
))
(( resid 97 and name HE21
))
3.86 2.64 2.64
! peak number n 212 F1= 1.660 F2= 7.589 null null d= 4.2
assi (( resid 94 and name HB2
))
(( resid 97 and name HE22
))
3.52 2.21 2.21
! peak number c 1063 F1= 2.328 F2= 1.663 null null d= 4.9
assi (( resid 94 and name HB2
))
(( resid 97 and name HG1
))
3.72 3.00 3.00
! peak number n 297 F1= 1.623 F2= 8.816 null null d= 4.3
assi (( resid 94 and name HB2) or ( resid 125 and name HG12
))
(( resid 96 and name HN
))
3.60 2.31 2.31
! peak number h 1299 F1= 8.798 F2= 1.634 null null d= 6.5
assi (( resid 94 and name HB2) or ( resid 70 and name HG2
))
(( resid 95 and name HN) or ( resid 70 and name HN
))
5.00 5.28 5.28
! peak number c 1047 F1= 8.608 F2= 1.610 null null d= 4.8
assi (( resid 94 and name HG*
))
(( resid 94 and name HN
))
3.65 2.92 2.92
! peak number c 263 F1= 0.931 F2= 1.607 null null d= 4.3
assi (( resid 94 and name HG*
))
(( resid 95 and name HB*) or ( resid 90 and name HG2*
))
3.27 2.31 2.31
! peak number h 1202 F1= 6.856 F2= 1.530 null null d= 5.1
assi (( resid 94 and name HG*) or ( resid 76 and name HB
))
(( resid 97 and name HE21) or ( resid 75 and name HE*
))
3.93 3.25 3.25
! peak number h 1026 F1= 8.446 F2= 1.541 null null d= 6.0
assi (( resid 94 and name HG*) or ( resid 76 and name HB
))
(( resid 97 and name HN) or ( resid 81 and name HN
))
4.62 4.50 4.50
! peak number h 1386 F1= 8.811 F2= 8.544 null null d= 5.2
assi (( resid 94 and name HN
))
(( resid 95 and name HN
))
4.00 1.29 1.29
! peak number c 1049 F1= 3.947 F2= 0.915 null null d= 4.2
assi (( resid 95 and name HA
))
(( resid 95 and name HB*
))
3.19 2.24 2.24
! peak number c 1053 F1= 8.861 F2= 3.962 null null d= 4.8
assi (( resid 95 and name HA
))
(( resid 95 and name HN
))
3.65 1.19 1.19
! peak number h 1388 F1= 8.772 F2= 3.917 null null d= 6.0
assi (( resid 95 and name HA
))
(( resid 96 and name HN
))
4.62 1.50 1.50
! peak number c 135 F1= 3.300 F2= 3.963 null null d= 5.0
assi (( resid 95 and name HA
))
(( resid 98 and name HB1
))
3.80 3.12 3.12
! peak number c 172 F1= 3.064 F2= 3.960 null null d= 5.0
assi (( resid 95 and name HA
))
(( resid 98 and name HB2
))
3.80 3.12 3.12
! peak number h 323 F1= 3.911 F2= 6.652 null null d= 5.5
assi (( resid 95 and name HA
))
(( resid 98 and name HD*
))
4.23 3.78 3.78
! peak number c 208 F1= 7.980 F2= 3.963 null null d= 5.1
assi (( resid 95 and name HA
))
(( resid 99 and name HN) or ( resid 98 and name HN
))
3.87 3.25 3.25
! peak number h 1387 F1= 8.813 F2= 0.872 null null d= 4.1
assi (( resid 95 and name HB*
))
(( resid 95 and name HN
))
3.15 2.14 2.14
! peak number h 499 F1= 0.864 F2= 4.046 null null d= 5.6
assi (( resid 95 and name HB*
))
(( resid 96 and name HA
))
4.31 3.92 3.92
! peak number h 1030 F1= 8.775 F2= 0.873 null null d= 4.3
assi (( resid 95 and name HB*
))
(( resid 96 and name HN
))
3.31 2.28 2.28
! peak number c 1054 F1= 8.847 F2= 0.922 null null d= 3.9
assi (( resid 95 and name HB*
))
(( resid 96 and name HN) or ( resid 95 and name HN
))
2.96 1.90 1.90
! peak number h 1058 F1= 7.986 F2= 0.863 null null d= 6.0
assi (( resid 95 and name HB*
))
(( resid 98 and name HN
))
4.62 4.50 4.50
! peak number h 621 F1= 0.874 F2= 3.845 null null d= 4.9
assi (( resid 95 and name HB*
))
(( resid 99 and name HA
))
3.77 3.00 3.00
! peak number c 88 F1= 7.200 F2= 0.920 null null d= 4.5
assi (( resid 95 and name HB*
))
(( resid 99 and name HD*
))
3.42 2.53 2.53
! peak number n 475 F1= 2.936 F2= 8.840 null null d= 4.6
assi (( resid 95 and name HN
))
(( resid 99 and name HB2) or ( resid 94 and name HE*
))
3.86 2.64 2.64
! peak number c 1055 F1= 4.085 F2= 1.286 null null d= 4.1
assi (( resid 96 and name HA
))
(( resid 96 and name HB*
))
3.11 2.08 2.08
! peak number c 1057 F1= 8.847 F2= 4.089 null null d= 4.7
assi (( resid 96 and name HA
))
(( resid 96 and name HN
))
3.57 1.18 1.18
! peak number c 209 F1= 7.996 F2= 4.081 null null d= 4.8
assi (( resid 96 and name HA
))
(( resid 99 and name HN
))
3.65 1.21 1.21
! peak number h 779 F1= 7.187 F2= 4.044 null null d= 4.7
assi (( resid 96 and name HA) or ( resid 126 and name HA
))
(( resid 99 and name HD*) or ( resid 91 and name HD*
))
3.62 2.76 2.76
! peak number h 1572 F1= 7.858 F2= 4.046 null null d= 4.6
assi (( resid 96 and name HA) or ( resid 46 and name HB*) or ( resid 137 and name HA) or ( resid 126 and name HA
))
(( resid 99 and name HN) or ( resid 46 and name HN) or ( resid 137 and name HN) or ( resid 126 and name HN
))
3.54 2.64 2.64
! peak number h 255 F1= 4.049 F2= 7.858 null null d= 4.6
assi (( resid 96 and name HA) or ( resid 46 and name HB*) or ( resid 43 and name HA) or ( resid 137 and name HA) or ( resid 126
and name HA
))
(( resid 99 and name HN) or ( resid 46 and name HN) or ( resid 137 and name HN) or ( resid 126 and name HN
))
3.54 2.64 2.64
! peak number c 1058 F1= 8.838 F2= 1.287 null null d= 3.9
assi (( resid 96 and name HB*
))
(( resid 96 and name HN
))
2.96 1.90 1.90
! peak number c 1064 F1= 8.520 F2= 1.287 null null d= 4.7
assi (( resid 96 and name HB*
))
(( resid 97 and name HN
))
3.57 2.70 2.70
! peak number c 297 F1= 1.288 F2= 2.323 null null d= 4.9
assi (( resid 96 and name HB*) or ( resid 57 and name HG2*
))
(( resid 97 and name HG1
))
3.72 3.00 3.00
! peak number c 258 F1= 1.291 F2= 2.271 null null d= 5.0
assi (( resid 96 and name HB*) or ( resid 57 and name HG2*
))
(( resid 97 and name HG2
))
3.80 3.12 3.12
! peak number h 55 F1= 2.172 F2= 8.763 null null d= 5.4
assi (( resid 96 and name HN
))
(( resid 97 and name HB1
))
4.16 3.65 3.65
! peak number n 303 F1= 2.216 F2= 8.815 null null d= 4.3
assi (( resid 96 and name HN
))
(( resid 97 and name HG2) or ( resid 97 and name HB2
))
3.60 2.31 2.31
! peak number h 877 F1= 8.776 F2= 8.445 null null d= 4.7
assi (( resid 96 and name HN
))
(( resid 97 and name HN
))
3.62 1.17 1.17
! peak number h 1152 F1= 8.774 F2= 2.171 null null d= 5.9
assi (( resid 96 and name HN) or ( resid 60 and name HN
))
(( resid 97 and name HB1) or ( resid 61 and name HG1
))
4.54 4.35 4.35
! peak number n 485 F1= 8.846 F2= 8.020 null null d= 4.6
assi (( resid 96 and name HN) or ( resid 95 and name HN
))
(( resid 98 and name HN
))
3.86 2.64 2.64
! peak number c 1061 F1= 2.225 F2= 3.998 null null d= 4.2
assi (( resid 97 and name HA
))
(( resid 97 and name HB1
))
3.19 2.26 2.26
! peak number h 867 F1= 2.292 F2= 3.957 null null d= 5.1
assi (( resid 97 and name HA
))
(( resid 97 and name HG1
))
3.93 3.25 3.25
! peak number h 185 F1= 3.948 F2= 2.223 null null d= 4.4
assi (( resid 97 and name HA
))
(( resid 97 and name HG2) or ( resid 97 and name HB2
))
3.39 2.42 2.42
! peak number h 1393 F1= 8.442 F2= 3.958 null null d= 4.9
assi (( resid 97 and name HA
))
(( resid 97 and name HN
))
3.77 1.22 1.22
! peak number c 268 F1= 3.993 F2= 2.345 null null d= 4.4
assi (( resid 97 and name HA) or ( resid 94 and name HA
))
(( resid 97 and name HG1
))
3.34 2.42 2.42
! peak number c 269 F1= 3.981 F2= 2.271 null null d= 4.7
assi (( resid 97 and name HA) or ( resid 94 and name HA
))
(( resid 97 and name HG2
))
3.57 2.76 2.76
! peak number c 1060 F1= 4.007 F2= 2.275 null null d= 4.2
assi (( resid 97 and name HA) or ( resid 94 and name HA) or ( resid 65 and name HA
))
(( resid 97 and name HB2) or ( resid 65 and name HB2
))
3.19 2.21 2.21
! peak number n 479 F1= 3.941 F2= 8.016 null null d= 3.9
assi (( resid 97 and name HA) or ( resid 95 and name HA) or ( resid 94 and name HA
))
(( resid 98 and name HN
))
3.27 1.90 1.90
! peak number c 1065 F1= 8.506 F2= 2.226 null null d= 5.1
assi (( resid 97 and name HB1
))
(( resid 97 and name HN
))
3.87 3.28 3.28
! peak number h 1198 F1= 7.986 F2= 2.171 null null d= 5.4
assi (( resid 97 and name HB1
))
(( resid 98 and name HN
))
4.16 3.65 3.65
! peak number h 117 F1= 2.228 F2= 6.849 null null d= 5.7
assi (( resid 97 and name HB2
))
(( resid 97 and name HE21
))
4.39 3.99 3.99
! peak number c 13 F1= 8.490 F2= 2.276 null null d= 4.7
assi (( resid 97 and name HB2
))
(( resid 97 and name HN
))
3.57 2.70 2.70
! peak number h 1391 F1= 6.854 F2= 7.574 null null d= 3.0
assi (( resid 97 and name HE21
))
(( resid 97 and name HE22
))
2.31 1.12 1.12
! peak number c 298 F1= 6.867 F2= 2.341 null null d= 4.7
assi (( resid 97 and name HE21
))
(( resid 97 and name HG1
))
3.57 2.70 2.70
! peak number c 299 F1= 6.891 F2= 2.273 null null d= 6.3
assi (( resid 97 and name HE21
))
(( resid 97 and name HG2
))
4.79 4.96 4.96
! peak number c 266 F1= 7.626 F2= 2.341 null null d= 4.8
assi (( resid 97 and name HE22
))
(( resid 97 and name HG1
))
3.65 2.92 2.92
! peak number c 267 F1= 7.632 F2= 2.273 null null d= 5.3
assi (( resid 97 and name HE22
))
(( resid 97 and name HG2
))
4.03 3.51 3.51
! peak number c 343 F1= 8.521 F2= 2.339 null null d= 5.0
assi (( resid 97 and name HG1
))
(( resid 97 and name HN
))
3.80 3.19 3.19
! peak number c 265 F1= 8.533 F2= 2.271 null null d= 5.2
assi (( resid 97 and name HG2
))
(( resid 97 and name HN
))
3.95 3.38 3.38
! peak number c 207 F1= 2.277 F2= 4.189 null null d= 5.1
assi (( resid 97 and name HG2
))
(( resid 98 and name HA
))
3.87 3.25 3.25
! peak number h 1415 F1= 7.986 F2= 2.223 null null d= 4.6
assi (( resid 97 and name HG2) or ( resid 97 and name HB2
))
(( resid 98 and name HN
))
3.54 2.64 2.64
! peak number h 1395 F1= 8.448 F2= 7.992 null null d= 4.7
assi (( resid 97 and name HN
))
(( resid 98 and name HN
))
3.62 1.18 1.18
! peak number c 1067 F1= 4.190 F2= 3.317 null null d= 5.3
assi (( resid 98 and name HA
))
(( resid 98 and name HB1
))
4.03 3.47 3.47
! peak number c 1066 F1= 4.203 F2= 3.069 null null d= 5.0
assi (( resid 98 and name HA
))
(( resid 98 and name HB2
))
3.80 3.12 3.12
! peak number c 201 F1= 6.715 F2= 4.192 null null d= 4.8
assi (( resid 98 and name HA
))
(( resid 98 and name HD*
))
3.65 2.88 2.88
! peak number c 1074 F1= 8.024 F2= 4.197 null null d= 4.6
assi (( resid 98 and name HA
))
(( resid 98 and name HN
))
3.49 1.16 1.16
! peak number h 740 F1= 6.852 F2= 4.139 null null d= 5.8
assi (( resid 98 and name HA) or ( resid 124 and name HB
))
(( resid 98 and name HE*) or ( resid 97 and name HE21
))
4.46 4.21 4.21
! peak number c 91 F1= 6.717 F2= 3.318 null null d= 5.1
assi (( resid 98 and name HB1
))
(( resid 98 and name HD*
))
3.87 3.19 3.19
! peak number h 1419 F1= 7.989 F2= 3.265 null null d= 4.7
assi (( resid 98 and name HB1
))
(( resid 98 and name HN
))
3.62 2.80 2.80
! peak number c 1076 F1= 7.993 F2= 3.319 null null d= 5.3
assi (( resid 98 and name HB1
))
(( resid 99 and name HN) or ( resid 98 and name HN
))
4.03 3.51 3.51
! peak number c 92 F1= 6.725 F2= 3.074 null null d= 5.0
assi (( resid 98 and name HB2
))
(( resid 98 and name HD*
))
3.80 3.12 3.12
! peak number h 1418 F1= 7.989 F2= 3.015 null null d= 4.5
assi (( resid 98 and name HB2
))
(( resid 98 and name HN
))
3.46 2.59 2.59
! peak number h 1139 F1= 7.850 F2= 3.018 null null d= 5.8
assi (( resid 98 and name HB2
))
(( resid 99 and name HN
))
4.46 4.21 4.21
! peak number c 1075 F1= 8.007 F2= 3.064 null null d= 5.0
assi (( resid 98 and name HB2
))
(( resid 99 and name HN) or ( resid 98 and name HN
))
3.80 3.12 3.12
! peak number h 1399 F1= 6.652 F2= 6.854 null null d= 3.8
assi (( resid 98 and name HD*
))
(( resid 98 and name HE*
))
2.92 1.76 1.76
! peak number h 1401 F1= 6.649 F2= 7.985 null null d= 5.0
assi (( resid 98 and name HD*
))
(( resid 98 and name HN
))
3.85 3.17 3.17
! peak number h 1400 F1= 6.652 F2= 7.098 null null d= 4.8
assi (( resid 98 and name HD*
))
(( resid 98 and name HZ
))
3.69 2.88 2.88
! peak number h 814 F1= 6.651 F2= 3.310 null null d= 5.3
assi (( resid 98 and name HD*
))
(( resid 99 and name HB1) or ( resid 121 and name HA
))
4.08 3.51 3.51
! peak number h 675 F1= 7.177 F2= 6.648 null null d= 5.0
assi (( resid 98 and name HD*
))
(( resid 99 and name HD*
))
3.85 3.19 3.19
! peak number h 1402 F1= 6.645 F2= 7.858 null null d= 5.1
assi (( resid 98 and name HD*
))
(( resid 99 and name HN
))
3.93 3.21 3.21
! peak number h 1410 F1= 6.852 F2= 7.098 null null d= 3.7
assi (( resid 98 and name HE*
))
(( resid 98 and name HZ
))
2.85 1.71 1.71
! peak number h 1201 F1= 6.852 F2= 3.309 null null d= 5.6
assi (( resid 98 and name HE*
))
(( resid 99 and name HB1
))
4.31 3.92 3.92
! peak number h 928 F1= 3.313 F2= 6.852 null null d= 5.8
assi (( resid 98 and name HE*
))
(( resid 99 and name HB1) or ( resid 121 and name HA
))
4.46 4.21 4.21
! peak number h 1204 F1= 6.847 F2= 2.909 null null d= 5.1
assi (( resid 98 and name HE*
))
(( resid 99 and name HB2
))
3.93 3.25 3.25
! peak number h 1420 F1= 7.989 F2= 7.870 null null d= 5.2
assi (( resid 98 and name HN
))
(( resid 99 and name HN
))
4.00 1.29 1.29
! peak number c 1078 F1= 3.917 F2= 3.364 null null d= 4.7
assi (( resid 99 and name HA
))
(( resid 99 and name HB1
))
3.57 2.70 2.70
! peak number c 1077 F1= 3.882 F2= 2.983 null null d= 4.7
assi (( resid 99 and name HA
))
(( resid 99 and name HB2
))
3.57 2.76 2.76
! peak number c 1081 F1= 7.228 F2= 3.900 null null d= 4.7
assi (( resid 99 and name HA
))
(( resid 99 and name HD*
))
3.57 2.76 2.76
! peak number c 1088 F1= 7.968 F2= 3.903 null null d= 4.5
assi (( resid 99 and name HA
))
(( resid 99 and name HN
))
3.42 1.12 1.12
! peak number c 1085 F1= 7.236 F2= 3.365 null null d= 4.7
assi (( resid 99 and name HB1
))
(( resid 99 and name HD*
))
3.57 2.76 2.76
! peak number c 288 F1= 6.832 F2= 3.366 null null d= 5.5
assi (( resid 99 and name HB1
))
(( resid 99 and name HE*
))
4.18 3.78 3.78
! peak number h 1440 F1= 7.857 F2= 3.310 null null d= 5.6
assi (( resid 99 and name HB1
))
(( resid 99 and name HN
))
4.31 3.92 3.92
! peak number h 1427 F1= 7.176 F2= 3.314 null null d= 4.8
assi (( resid 99 and name HB1) or ( resid 121 and name HA
))
(( resid 99 and name HD*
))
3.69 2.94 2.94
! peak number n 312 F1= 3.340 F2= 7.898 null null d= 3.8
assi (( resid 99 and name HB1) or ( resid 98 and name HB1
))
(( resid 99 and name HN
))
3.18 1.80 1.80
! peak number c 1082 F1= 7.236 F2= 2.981 null null d= 4.8
assi (( resid 99 and name HB2
))
(( resid 99 and name HD*
))
3.65 2.82 2.82
! peak number h 1432 F1= 6.777 F2= 2.906 null null d= 5.6
assi (( resid 99 and name HB2
))
(( resid 99 and name HE*) or ( resid 117 and name HE*
))
4.31 3.92 3.92
! peak number h 1439 F1= 7.858 F2= 2.911 null null d= 4.4
assi (( resid 99 and name HB2
))
(( resid 99 and name HN
))
3.39 2.48 2.48
! peak number h 1428 F1= 7.179 F2= 6.782 null null d= 3.7
assi (( resid 99 and name HD*
))
(( resid 99 and name HE*
))
2.85 1.71 1.71
! peak number h 1429 F1= 7.176 F2= 7.862 null null d= 4.6
assi (( resid 99 and name HD*
))
(( resid 99 and name HN
))
3.54 2.61 2.61
! peak number h 1435 F1= 6.780 F2= 7.862 null null d= 6.0
assi (( resid 99 and name HE*
))
(( resid 99 and name HN) or ( resid 120 and name HN
))
4.62 1.50 1.50
Contact the webmaster for help, if required. Friday, May 10, 2024 2:35:35 AM GMT (wattos1)