NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
3648 |
1e0a   |
cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
!!Ambiguous NOEs
assign ( resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HD#
or resid 1118 and name HD#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 79 and name HG
or resid 120 and name HG#
or resid 120 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
or resid 1114 and name HG#
or resid 1118 and name HG#
or resid 1118 and name HG#
) 2.8 2.8 0.0 volume=5.728 peak=725 ppm1=1.717 ppm2=1.407
assign ( resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HD#
or resid 1118 and name HD#
)
( resid 26 and name HB#
or resid 51 and name HB#
or resid 56 and name HB#
or resid 56 and name HB#
or resid 78 and name HB#
or resid 78 and name HB#
or resid 97 and name HB#
or resid 105 and name HB#
or resid 110 and name HB#
or resid 128 and name HE#
or resid 128 and name HE#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 151 and name HA
or resid 163 and name HE#
or resid 163 and name HE#
or resid 168 and name HA
or resid 184 and name HE#
or resid 184 and name HE#
or resid 1086 and name HB#
or resid 1096 and name HB#
or resid 1100 and name HD#
or resid 1114 and name HE#
or resid 1114 and name HE#
or resid 1118 and name HE#
or resid 1118 and name HE#
) 3.5 3.5 0.0 volume=5.483 peak=723 ppm1=1.718 ppm2=3.004
assign ( resid 1082 and name HB#
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 101 and name HG1#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.969 peak=2444 ppm1=1.867 ppm2=1.069
assign ( resid 1082 and name HB#
or resid 1118 and name HB#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 94 and name HG#
or resid 94 and name HG#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 3.5 3.5 0.0 volume=1.445 peak=2443 ppm1=1.867 ppm2=1.305
assign ( resid 1082 and name HB#
or resid 1118 and name HB#
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 101 and name HG1#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.808 peak=2401 ppm1=1.749 ppm2=1.059
assign ( resid 1082 and name HB#
or resid 1118 and name HB#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 94 and name HG#
or resid 94 and name HG#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 137 and name HG1#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 5.0 5.0 0.0 volume=1.020 peak=1797 ppm1=1.753 ppm2=1.327
assign ( resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
)
( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 153 and name HN
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1103 and name HD1
or resid 1108 and name HE2#
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=0.892 peak=2379 ppm1=2.571 ppm2=6.932
assign ( resid 1102 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
)
( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 153 and name HN
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1103 and name HD1
or resid 1108 and name HE2#
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=0.714 peak=2373 ppm1=2.504 ppm2=6.928
assign ( resid 1102 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 104 and name HN
or resid 110 and name HZ
or resid 1085 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
or resid 1103 and name HE3
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=0.256 peak=2372 ppm1=2.507 ppm2=7.286
assign ( resid 1102 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
)
( resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 68 and name HN
or resid 100 and name HN
or resid 108 and name HN
or resid 1102 and name HE2#
or resid 1106 and name HN
or resid 1108 and name HE2#
) 5.0 5.0 0.0 volume=0.896 peak=2371 ppm1=2.504 ppm2=7.572
assign ( resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 64 and name HN
or resid 104 and name HN
or resid 110 and name HZ
or resid 1085 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
or resid 1103 and name HE3
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=0.278 peak=2378 ppm1=2.571 ppm2=7.278
assign ( resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
)
( resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 68 and name HN
or resid 100 and name HN
or resid 108 and name HN
or resid 1102 and name HE2#
or resid 1106 and name HN
or resid 1108 and name HE2#
) 5.0 5.0 0.0 volume=1.102 peak=2377 ppm1=2.571 ppm2=7.578
assign ( resid 1074 and name HB#
or resid 1074 and name HB#
or resid 1115 and name HB#
or resid 1115 and name HB#
)
( resid 17 and name HB
or resid 31 and name HA
or resid 59 and name HA
or resid 61 and name HA
or resid 85 and name HA
or resid 107 and name HA
or resid 118 and name HA
or resid 136 and name HA
or resid 161 and name HB
or resid 180 and name HA
or resid 1074 and name HA
or resid 1076 and name HA
or resid 1077 and name HA
or resid 1095 and name HA
or resid 1115 and name HA
) 3.5 3.5 0.0 volume=-3.319 peak=1695 ppm1=3.882 ppm2=4.510
assign ( resid 1074 and name HB#
or resid 1074 and name HB#
or resid 1115 and name HB#
or resid 1115 and name HB#
)
( resid 33 and name HN
or resid 63 and name HN
or resid 78 and name HN
or resid 148 and name HN
or resid 183 and name HN
or resid 1075 and name HN
or resid 1116 and name HN
) 5.0 5.0 0.0 volume=-0.871 peak=1706 ppm1=3.882 ppm2=8.497
assign ( resid 1074 and name HB#
)
( resid 27 and name HD#
or resid 27 and name HD#
or resid 55 and name HB#
or resid 55 and name HB#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 61 and name HB#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 97 and name HE1
or resid 126 and name HG1#
or resid 131 and name HG#
or resid 144 and name HG#
or resid 1075 and name HB
or resid 1075 and name HG1#
or resid 1078 and name HB#
or resid 1085 and name HB
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1106 and name HB#
) 5.0 5.0 0.0 volume=-0.283 peak=1701 ppm1=3.882 ppm2=1.608
assign ( resid 1074 and name HB#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=-0.413 peak=1705 ppm1=3.882 ppm2=0.824
assign ( resid 1075 and name HD1#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 62 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 112 and name HG
or resid 117 and name HB
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 156 and name HB#
or resid 156 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=-0.961 peak=1728 ppm1=0.845 ppm2=2.049
assign ( resid 1075 and name HD1#
)
( resid 1 and name HG#
or resid 1 and name HG#
or resid 23 and name HB#
or resid 45 and name HG#
or resid 45 and name HG#
or resid 51 and name HB#
or resid 81 and name HB#
or resid 100 and name HG#
or resid 100 and name HG#
or resid 106 and name HB#
or resid 121 and name HB#
or resid 139 and name HB#
or resid 170 and name HB#
or resid 171 and name HG#
or resid 1086 and name HB#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=-0.749 peak=1780 ppm1=0.845 ppm2=2.542
assign ( resid 1075 and name HD1#
)
( resid 17 and name HB
or resid 31 and name HA
or resid 59 and name HA
or resid 85 and name HA
or resid 106 and name HA
or resid 118 and name HA
or resid 180 and name HA
or resid 1074 and name HA
or resid 1076 and name HA
or resid 1095 and name HA
or resid 1103 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=-0.345 peak=1840 ppm1=0.855 ppm2=4.529
assign ( resid 1075 and name HD1#
)
( resid 29 and name HA
or resid 33 and name HA
or resid 35 and name HB
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 103 and name HA
or resid 104 and name HA
or resid 159 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1085 and name HA
or resid 1093 and name HA
or resid 1093 and name HB
or resid 1099 and name HA
or resid 1100 and name HA
or resid 1112 and name HA
) 3.5 3.5 0.0 volume=-1.597 peak=1816 ppm1=0.854 ppm2=4.281
assign ( resid 1075 and name HD1#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 120 and name HG#
or resid 120 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
or resid 1114 and name HG#
or resid 1114 and name HG#
or resid 1118 and name HG#
or resid 1118 and name HG#
) 5.0 5.0 0.0 volume=-0.754 peak=1720 ppm1=0.845 ppm2=1.420
assign ( resid 1075 and name HD1#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 7 and name HB
or resid 29 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 145 and name HB#
or resid 149 and name HB#
or resid 156 and name HG#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HB#
) 3.5 3.5 0.0 volume=-1.654 peak=1727 ppm1=0.845 ppm2=1.817
assign ( resid 1075 and name HD1#
)
( resid 24 and name HB
or resid 25 and name HB
or resid 30 and name HB#
or resid 54 and name HA#
or resid 54 and name HA#
or resid 71 and name HB#
or resid 74 and name HA
or resid 117 and name HA
or resid 139 and name HD#
or resid 141 and name HA
or resid 150 and name HA
or resid 164 and name HA#
or resid 165 and name HA
or resid 172 and name HA
or resid 174 and name HA
or resid 182 and name HD#
or resid 1073 and name HA#
or resid 1074 and name HB#
or resid 1074 and name HB#
or resid 1091 and name HA
or resid 1115 and name HB#
or resid 1115 and name HB#
) 5.0 5.0 0.0 volume=-0.480 peak=1813 ppm1=0.845 ppm2=3.873
assign ( resid 1075 and name HD1#
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 63 and name HA
or resid 66 and name HA
or resid 83 and name HB#
or resid 83 and name HB#
or resid 124 and name HB#
or resid 128 and name HA
or resid 140 and name HA
or resid 141 and name HB
or resid 166 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=-0.233 peak=1814 ppm1=0.861 ppm2=4.058
assign ( resid 1075 and name HD1#
)
( resid 27 and name HD#
or resid 27 and name HD#
or resid 55 and name HB#
or resid 55 and name HB#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 61 and name HB#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 97 and name HE1
or resid 126 and name HG1#
or resid 131 and name HG#
or resid 144 and name HG#
or resid 177 and name HB#
or resid 1075 and name HB
or resid 1075 and name HG1#
or resid 1078 and name HB#
or resid 1085 and name HB
or resid 1106 and name HB#
) 3.5 3.5 0.0 volume=-2.604 peak=1649 ppm1=0.846 ppm2=1.598
assign ( resid 1075 and name HG2#
)
( resid 17 and name HB
or resid 31 and name HA
or resid 58 and name HB
or resid 59 and name HA
or resid 85 and name HA
or resid 106 and name HA
or resid 118 and name HA
or resid 1074 and name HA
or resid 1076 and name HA
or resid 1095 and name HA
or resid 1103 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=0.464 peak=1713 ppm1=1.054 ppm2=4.550
assign ( resid 1075 and name HG2#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 7 and name HB
or resid 29 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 145 and name HB#
or resid 149 and name HB#
or resid 156 and name HG#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HB#
) 5.0 5.0 0.0 volume=1.098 peak=1711 ppm1=1.043 ppm2=1.822
assign ( resid 1075 and name HG2#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 62 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 112 and name HG
or resid 117 and name HB
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 156 and name HB#
or resid 156 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=0.395 peak=1710 ppm1=1.043 ppm2=2.046
assign ( resid 1075 and name HG2#
)
( resid 1 and name HG#
or resid 1 and name HG#
or resid 23 and name HB#
or resid 39 and name HB#
or resid 45 and name HG#
or resid 45 and name HG#
or resid 51 and name HB#
or resid 81 and name HB#
or resid 85 and name HB
or resid 100 and name HG#
or resid 100 and name HG#
or resid 106 and name HB#
or resid 121 and name HB#
or resid 139 and name HB#
or resid 170 and name HB#
or resid 171 and name HG#
or resid 1086 and name HB#
or resid 1102 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=0.208 peak=1712 ppm1=1.043 ppm2=2.532
assign ( resid 1075 and name HG2#
)
( resid 27 and name HD#
or resid 27 and name HD#
or resid 53 and name HG
or resid 55 and name HB#
or resid 55 and name HB#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 61 and name HB#
or resid 126 and name HG1#
or resid 131 and name HG#
or resid 144 and name HG#
or resid 177 and name HB#
or resid 183 and name HG#
or resid 183 and name HG#
or resid 1075 and name HB
or resid 1078 and name HB#
or resid 1085 and name HB
or resid 1106 and name HB#
) 3.5 3.5 0.0 volume=2.017 peak=2468 ppm1=1.054 ppm2=1.582
assign ( resid 1075 and name HG2#
)
( resid 29 and name HA
or resid 35 and name HB
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 104 and name HA
or resid 159 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1085 and name HA
or resid 1093 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1099 and name HA
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
) 5.0 5.0 0.0 volume=0.716 peak=1538 ppm1=1.049 ppm2=4.269
assign ( resid 1075 and name HG2#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
) 2.8 2.8 0.0 volume=5.614 peak=1655 ppm1=1.048 ppm2=0.828
assign ( resid 1077 and name HD#
)
( resid 1103 and name HB#
) 5.0 5.0 0.0 volume=0.723 peak=2091 ppm1=1.135 ppm2=3.204
assign ( resid 1077 and name HD#
)
( resid 79 and name HA
or resid 92 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
or resid 1075 and name HA
or resid 1079 and name HA
or resid 1111 and name HA
) 5.0 5.0 0.0 volume=0.452 peak=1990 ppm1=1.063 ppm2=4.811
assign ( resid 1077 and name HD#
)
( resid 24 and name HA
or resid 90 and name HB#
or resid 103 and name HB#
or resid 103 and name HB#
or resid 114 and name HA#
or resid 147 and name HD#
or resid 160 and name HA
or resid 173 and name HA
or resid 1078 and name HD#
) 5.0 5.0 0.0 volume=0.440 peak=1993 ppm1=1.066 ppm2=3.334
assign ( resid 1077 and name HD#
)
( resid 1103 and name HB#
) 5.0 5.0 0.0 volume=0.431 peak=1994 ppm1=1.062 ppm2=3.203
assign ( resid 1077 and name HD#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 112 and name HG
or resid 117 and name HB
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 156 and name HB#
or resid 156 and name HB#
or resid 166 and name HB#
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=0.305 peak=1989 ppm1=1.062 ppm2=2.043
assign ( resid 1077 and name HD#
)
( resid 26 and name HB#
or resid 51 and name HB#
or resid 56 and name HB#
or resid 56 and name HB#
or resid 78 and name HB#
or resid 78 and name HB#
or resid 97 and name HB#
or resid 105 and name HB#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 163 and name HE#
or resid 163 and name HE#
or resid 1086 and name HB#
or resid 1096 and name HB#
) 5.0 5.0 0.0 volume=0.245 peak=1995 ppm1=1.067 ppm2=2.980
assign ( resid 1077 and name HD#
)
( resid 27 and name HB#
or resid 46 and name HG1#
or resid 79 and name HG
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 135 and name HG#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
) 5.0 5.0 0.0 volume=0.720 peak=1988 ppm1=1.061 ppm2=1.382
assign ( resid 1077 and name HD#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 21 and name HB
or resid 29 and name HB#
or resid 66 and name HB#
or resid 94 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 152 and name HB
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HG
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1082 and name HB#
or resid 1095 and name HB#
or resid 1105 and name HG#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
) 3.5 3.5 0.0 volume=4.997 peak=358 ppm1=1.058 ppm2=1.760
assign ( resid 1078 and name HB#
)
( resid 43 and name HN
or resid 44 and name HN
or resid 74 and name HN
or resid 79 and name HN
or resid 1079 and name HN
) 5.0 5.0 0.0 volume=0.244 peak=1672 ppm1=1.601 ppm2=9.177
assign ( resid 1078 and name HB#
)
( resid 24 and name HA
or resid 90 and name HB#
or resid 92 and name HB#
or resid 114 and name HA#
or resid 147 and name HD#
or resid 160 and name HA
or resid 173 and name HA
or resid 1078 and name HD#
) 5.0 5.0 0.0 volume=0.225 peak=1761 ppm1=1.588 ppm2=3.343
assign ( resid 1078 and name HB#
)
( resid 43 and name HN
or resid 44 and name HN
or resid 79 and name HN
or resid 137 and name HN
or resid 1079 and name HN
) 5.0 5.0 0.0 volume=0.207 peak=1768 ppm1=1.838 ppm2=9.182
assign ( resid 1078 and name HB#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 165 and name HG
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 177 and name HG
or resid 183 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
) 5.0 5.0 0.0 volume=0.356 peak=1763 ppm1=1.593 ppm2=1.779
assign ( resid 1078 and name HG#
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
) 5.0 5.0 0.0 volume=0.808 peak=1977 ppm1=0.759 ppm2=1.083
assign ( resid 1078 and name HG#
)
( resid 13 and name HB#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 27 and name HB#
or resid 79 and name HG
or resid 94 and name HG#
or resid 94 and name HG#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 150 and name HG#
or resid 150 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 5.0 5.0 0.0 volume=0.661 peak=1976 ppm1=0.746 ppm2=1.367
assign ( resid 1078 and name HG#
)
( resid 4 and name HG1#
or resid 10 and name HA#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 94 and name HB#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 133 and name HD#
or resid 135 and name HB#
or resid 144 and name HD#
or resid 147 and name HG#
or resid 152 and name HB
or resid 163 and name HD#
or resid 163 and name HD#
or resid 177 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1077 and name HB#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 5.0 5.0 0.0 volume=0.424 peak=1975 ppm1=0.760 ppm2=1.694
assign ( resid 1078 and name HG#
)
( resid 4 and name HG1#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.838 peak=1962 ppm1=1.413 ppm2=1.091
assign ( resid 1079 and name HB#
)
( resid 2 and name HA
or resid 33 and name HA
or resid 35 and name HB
or resid 73 and name HA
or resid 84 and name HA
or resid 87 and name HA
or resid 88 and name HA
or resid 96 and name HA
or resid 103 and name HA
or resid 104 and name HA
or resid 124 and name HA
or resid 130 and name HA
or resid 164 and name HA#
or resid 167 and name HA
or resid 183 and name HA
or resid 1080 and name HA
or resid 1085 and name HA
or resid 1093 and name HA
or resid 1099 and name HA
or resid 1116 and name HA
) 5.0 5.0 0.0 volume=-0.311 peak=1997 ppm1=3.936 ppm2=4.325
assign ( resid 1079 and name HB#
)
( resid 2 and name HA
or resid 33 and name HA
or resid 35 and name HB
or resid 73 and name HA
or resid 84 and name HA
or resid 87 and name HA
or resid 88 and name HA
or resid 96 and name HA
or resid 103 and name HA
or resid 104 and name HA
or resid 124 and name HA
or resid 130 and name HA
or resid 164 and name HA#
or resid 167 and name HA
or resid 177 and name HA
or resid 183 and name HA
or resid 1080 and name HA
or resid 1085 and name HA
or resid 1093 and name HA
or resid 1099 and name HA
) 5.0 5.0 0.0 volume=-0.304 peak=1637 ppm1=3.747 ppm2=4.317
assign ( resid 1080 and name HA
)
( resid 25 and name HB
or resid 30 and name HB#
or resid 35 and name HA
or resid 117 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 141 and name HA
or resid 142 and name HA
or resid 164 and name HA#
or resid 165 and name HA
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1074 and name HB#
or resid 1074 and name HB#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=-0.363 peak=2003 ppm1=4.345 ppm2=3.932
assign ( resid 1081 and name HB#
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 6.0 6.0 0.0 volume=0.198 peak=2012 ppm1=2.740 ppm2=1.012
assign ( resid 1081 and name HB#
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 101 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.217 peak=2013 ppm1=2.893 ppm2=1.036
assign ( resid 1081 and name HD#
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 21 and name HG1#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=-0.256 peak=2008 ppm1=6.913 ppm2=1.162
assign ( resid 1081 and name HD#
)
( resid 25 and name HG2#
or resid 25 and name HG2#
or resid 25 and name HG2#
or resid 46 and name HD1#
or resid 46 and name HD1#
or resid 46 and name HD1#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
) 5.0 5.0 0.0 volume=-0.298 peak=2006 ppm1=6.915 ppm2=0.094
assign ( resid 1081 and name HE#
)
( resid 21 and name HD1#
or resid 21 and name HD1#
or resid 21 and name HD1#
or resid 25 and name HG2#
or resid 25 and name HG2#
or resid 25 and name HG2#
or resid 46 and name HD1#
or resid 46 and name HD1#
or resid 46 and name HD1#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
) 5.0 5.0 0.0 volume=-0.308 peak=1471 ppm1=7.018 ppm2=0.086
assign ( resid 1082 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 94 and name HG#
or resid 94 and name HG#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 5.0 5.0 0.0 volume=0.414 peak=2021 ppm1=2.055 ppm2=1.312
assign ( resid 1082 and name HG#
)
( resid 11 and name HA
or resid 42 and name HA
or resid 57 and name HA
or resid 92 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 179 and name HA
or resid 1081 and name HA
) 5.0 5.0 0.0 volume=0.281 peak=2023 ppm1=2.062 ppm2=4.857
assign ( resid 1082 and name HG#
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 88 and name HB#
or resid 88 and name HB#
or resid 91 and name HA
or resid 124 and name HB#
or resid 128 and name HA
or resid 133 and name HA
or resid 140 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=0.231 peak=2022 ppm1=2.055 ppm2=4.021
assign ( resid 1082 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 94 and name HG#
or resid 94 and name HG#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 5.0 5.0 0.0 volume=0.508 peak=2027 ppm1=2.222 ppm2=1.308
assign ( resid 1082 and name HG#
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 124 and name HB#
or resid 128 and name HA
or resid 133 and name HA
or resid 140 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 176 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=0.255 peak=2026 ppm1=2.227 ppm2=4.014
assign ( resid 1084 and name HB
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HB#
or resid 111 and name HG
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=-0.287 peak=2035 ppm1=3.963 ppm2=1.496
assign ( resid 1084 and name HB
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 31 and name HB#
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 68 and name HB#
or resid 106 and name HB#
or resid 126 and name HB
or resid 131 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=-0.235 peak=2034 ppm1=3.958 ppm2=2.019
assign ( resid 1084 and name HB
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=-0.324 peak=2036 ppm1=3.964 ppm2=0.722
assign ( resid 1084 and name HG2#
)
( resid 5 and name HA
or resid 7 and name HA
or resid 49 and name HA
or resid 50 and name HA
or resid 64 and name HA
or resid 105 and name HA
or resid 115 and name HA
or resid 122 and name HA
or resid 132 and name HA
or resid 1078 and name HA
or resid 1083 and name HA
) 5.0 5.0 0.0 volume=0.348 peak=2040 ppm1=1.104 ppm2=5.058
assign ( resid 1085 and name HB
)
( resid 27 and name HN
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 64 and name HD#
or resid 64 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 121 and name HN
or resid 162 and name HE2#
) 5.0 5.0 0.0 volume=0.345 peak=2061 ppm1=1.603 ppm2=7.185
assign ( resid 1085 and name HB
)
( resid 39 and name HB#
or resid 42 and name HB
or resid 85 and name HB
or resid 121 and name HB#
or resid 157 and name HB#
or resid 1099 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=0.297 peak=2065 ppm1=1.611 ppm2=2.486
assign ( resid 1085 and name HB
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 18 and name HB#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1095 and name HG#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=0.256 peak=2064 ppm1=1.607 ppm2=2.108
assign ( resid 1085 and name HD1#
)
( resid 26 and name HB#
or resid 51 and name HB#
or resid 56 and name HB#
or resid 56 and name HB#
or resid 78 and name HB#
or resid 78 and name HB#
or resid 97 and name HB#
or resid 104 and name HB#
or resid 105 and name HB#
or resid 110 and name HB#
or resid 128 and name HE#
or resid 128 and name HE#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 144 and name HE#
or resid 144 and name HE#
or resid 151 and name HA
or resid 168 and name HA
or resid 184 and name HE#
or resid 184 and name HE#
or resid 1086 and name HB#
or resid 1096 and name HB#
or resid 1100 and name HD#
or resid 1114 and name HE#
or resid 1114 and name HE#
or resid 1118 and name HE#
or resid 1118 and name HE#
) 5.0 5.0 0.0 volume=-0.214 peak=1583 ppm1=0.758 ppm2=3.010
assign ( resid 1085 and name HD1#
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 64 and name HB#
or resid 75 and name HB
or resid 98 and name HA
or resid 104 and name HB#
or resid 105 and name HB#
or resid 126 and name HA
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=-0.328 peak=1584 ppm1=0.763 ppm2=3.587
assign ( resid 1085 and name HD1#
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=-0.436 peak=1585 ppm1=0.761 ppm2=3.959
assign ( resid 1085 and name HD1#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 53 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=-1.125 peak=1580 ppm1=0.764 ppm2=1.280
assign ( resid 1085 and name HD1#
)
( resid 79 and name HA
or resid 92 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
or resid 1075 and name HA
or resid 1079 and name HA
or resid 1111 and name HA
) 5.0 5.0 0.0 volume=-0.447 peak=1587 ppm1=0.761 ppm2=4.807
assign ( resid 1085 and name HD1#
)
( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 101 and name HB
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 1100 and name HG#
) 5.0 5.0 0.0 volume=-0.864 peak=1578 ppm1=0.758 ppm2=0.440
assign ( resid 1085 and name HG1#
)
( resid 27 and name HN
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 64 and name HD#
or resid 64 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 121 and name HN
or resid 162 and name HE2#
or resid 1089 and name HZ
) 5.0 5.0 0.0 volume=0.264 peak=2457 ppm1=1.530 ppm2=7.179
assign ( resid 1085 and name HG1#
)
( resid 45 and name HE#
or resid 45 and name HE#
or resid 45 and name HE#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 63 and name HB#
or resid 94 and name HB#
or resid 107 and name HB#
or resid 129 and name HB#
or resid 129 and name HG
or resid 135 and name HB#
or resid 137 and name HB
or resid 140 and name HB#
or resid 144 and name HB#
or resid 147 and name HG#
or resid 149 and name HG
or resid 150 and name HB#
or resid 182 and name HB#
or resid 183 and name HB#
or resid 1099 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HB
or resid 1114 and name HB#
) 3.5 3.5 0.0 volume=1.567 peak=2456 ppm1=1.522 ppm2=1.929
assign ( resid 1085 and name HG1#
)
( resid 25 and name HB
or resid 30 and name HB#
or resid 35 and name HA
or resid 67 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 137 and name HA
or resid 142 and name HA
or resid 164 and name HA#
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=0.350 peak=2458 ppm1=1.520 ppm2=3.938
assign ( resid 1085 and name HG2#
)
( resid 11 and name HN
or resid 36 and name HN
or resid 124 and name HN
or resid 1086 and name HE1
or resid 1087 and name HN
or resid 1094 and name HN
or resid 1114 and name HN
or resid 1115 and name HN
or resid 1117 and name HN
) 5.0 5.0 0.0 volume=0.240 peak=1629 ppm1=0.878 ppm2=8.394
assign ( resid 1085 and name HG2#
)
( resid 55 and name HA
or resid 112 and name HA
or resid 156 and name HA
or resid 1086 and name HA
or resid 1096 and name HA
) 5.0 5.0 0.0 volume=0.247 peak=1595 ppm1=0.873 ppm2=5.450
assign ( resid 1085 and name HG2#
)
( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 1100 and name HG#
) 5.0 5.0 0.0 volume=0.456 peak=1608 ppm1=0.871 ppm2=0.447
assign ( resid 1085 and name HG2#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=0.646 peak=1605 ppm1=0.871 ppm2=1.291
assign ( resid 1085 and name HG2#
)
( resid 51 and name HB#
or resid 56 and name HB#
or resid 56 and name HB#
or resid 78 and name HB#
or resid 78 and name HB#
or resid 97 and name HB#
or resid 104 and name HB#
or resid 105 and name HB#
or resid 110 and name HB#
or resid 128 and name HE#
or resid 128 and name HE#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 144 and name HE#
or resid 144 and name HE#
or resid 151 and name HA
or resid 168 and name HA
or resid 184 and name HE#
or resid 184 and name HE#
or resid 1086 and name HB#
or resid 1096 and name HB#
or resid 1100 and name HD#
or resid 1114 and name HE#
or resid 1114 and name HE#
or resid 1118 and name HE#
or resid 1118 and name HE#
) 5.0 5.0 0.0 volume=0.414 peak=1600 ppm1=0.871 ppm2=3.014
assign ( resid 1085 and name HG2#
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 104 and name HB#
or resid 105 and name HB#
or resid 126 and name HA
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=0.392 peak=1599 ppm1=0.871 ppm2=3.592
assign ( resid 1085 and name HG2#
)
( resid 79 and name HA
or resid 92 and name HA
or resid 108 and name HA
or resid 125 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
or resid 1075 and name HA
or resid 1079 and name HA
or resid 1111 and name HA
) 5.0 5.0 0.0 volume=0.598 peak=1596 ppm1=0.873 ppm2=4.795
assign ( resid 1086 and name HA
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1100 and name HB#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 5.0 5.0 0.0 volume=-0.203 peak=2069 ppm1=5.473 ppm2=0.981
assign ( resid 1087 and name HG#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
) 5.0 5.0 0.0 volume=1.098 peak=2047 ppm1=1.154 ppm2=2.079
assign ( resid 1087 and name HG#
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 105 and name HB#
or resid 126 and name HA
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=0.509 peak=2088 ppm1=1.154 ppm2=3.597
assign ( resid 1087 and name HG#
)
( resid 46 and name HG2#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 137 and name HD1#
or resid 137 and name HD1#
or resid 137 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
) 3.5 3.5 0.0 volume=1.626 peak=2096 ppm1=1.157 ppm2=0.558
assign ( resid 1087 and name HG#
)
( resid 34 and name HB#
or resid 73 and name HB#
or resid 73 and name HB#
or resid 80 and name HB
or resid 91 and name HG#
or resid 91 and name HG#
or resid 127 and name HG#
or resid 134 and name HG#
or resid 134 and name HG#
or resid 140 and name HG#
or resid 143 and name HG#
or resid 179 and name HB#
or resid 1101 and name HG#
or resid 1117 and name HG#
or resid 1117 and name HG#
) 5.0 5.0 0.0 volume=0.467 peak=2093 ppm1=1.153 ppm2=2.415
assign ( resid 1087 and name HG#
)
( resid 26 and name HB#
or resid 51 and name HB#
or resid 56 and name HB#
or resid 56 and name HB#
or resid 78 and name HB#
or resid 78 and name HB#
or resid 97 and name HB#
or resid 105 and name HB#
or resid 110 and name HB#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 163 and name HE#
or resid 163 and name HE#
or resid 168 and name HA
or resid 1086 and name HB#
or resid 1096 and name HB#
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=0.606 peak=2092 ppm1=1.144 ppm2=2.988
assign ( resid 1087 and name HG#
)
( resid 26 and name HB#
or resid 51 and name HB#
or resid 56 and name HB#
or resid 56 and name HB#
or resid 78 and name HB#
or resid 78 and name HB#
or resid 97 and name HB#
or resid 105 and name HB#
or resid 110 and name HB#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 151 and name HA
or resid 163 and name HE#
or resid 163 and name HE#
or resid 168 and name HA
or resid 1086 and name HB#
or resid 1096 and name HB#
or resid 1100 and name HD#
or resid 1114 and name HE#
or resid 1114 and name HE#
or resid 1118 and name HE#
or resid 1118 and name HE#
) 5.0 5.0 0.0 volume=0.496 peak=2078 ppm1=1.031 ppm2=2.998
assign ( resid 1087 and name HG#
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 105 and name HB#
or resid 126 and name HA
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=0.960 peak=2077 ppm1=1.021 ppm2=3.595
assign ( resid 1087 and name HG#
)
( resid 27 and name HN
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 64 and name HD#
or resid 64 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 121 and name HN
or resid 162 and name HE2#
) 3.5 3.5 0.0 volume=1.778 peak=2073 ppm1=1.021 ppm2=7.185
assign ( resid 1087 and name HG#
)
( resid 55 and name HB#
or resid 55 and name HB#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 61 and name HB#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 97 and name HE1
or resid 126 and name HG1#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 131 and name HG#
or resid 144 and name HG#
or resid 147 and name HG#
or resid 163 and name HB#
or resid 1075 and name HB
or resid 1075 and name HG1#
or resid 1078 and name HB#
or resid 1085 and name HB
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
) 5.0 5.0 0.0 volume=0.535 peak=2081 ppm1=1.031 ppm2=1.615
assign ( resid 1087 and name HG#
)
( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 101 and name HB
or resid 1100 and name HG#
) 5.0 5.0 0.0 volume=0.603 peak=2083 ppm1=1.029 ppm2=0.427
assign ( resid 1087 and name HG#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=1.010 peak=885 ppm1=1.030 ppm2=2.084
assign ( resid 1087 and name HG#
)
( resid 34 and name HB#
or resid 73 and name HB#
or resid 73 and name HB#
or resid 91 and name HG#
or resid 91 and name HG#
or resid 123 and name HB#
or resid 127 and name HG#
or resid 134 and name HG#
or resid 134 and name HG#
or resid 140 and name HG#
or resid 143 and name HG#
or resid 179 and name HB#
or resid 1117 and name HG#
or resid 1117 and name HG#
) 5.0 5.0 0.0 volume=0.977 peak=2079 ppm1=1.035 ppm2=2.419
assign ( resid 1087 and name HG#
)
( resid 37 and name HA
or resid 46 and name HA
or resid 56 and name HA
or resid 138 and name HA
or resid 178 and name HA
or resid 181 and name HA
or resid 1088 and name HA#
or resid 1097 and name HA
) 5.0 5.0 0.0 volume=0.333 peak=2075 ppm1=1.021 ppm2=4.652
assign ( resid 1088 and name HA#
)
( resid 8 and name HN
or resid 15 and name HN
or resid 45 and name HN
or resid 48 and name HN
or resid 76 and name HN
or resid 140 and name HN
or resid 1082 and name HN
or resid 1088 and name HN
or resid 1089 and name HN
) 5.0 5.0 0.0 volume=0.588 peak=2097 ppm1=3.565 ppm2=8.619
assign ( resid 1089 and name HD#
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HB#
or resid 111 and name HG
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=-0.432 peak=1430 ppm1=6.493 ppm2=1.490
assign ( resid 1089 and name HD#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 110 and name HZ
or resid 122 and name HN
or resid 1085 and name HN
or resid 1093 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
) 5.0 5.0 0.0 volume=-0.289 peak=1436 ppm1=6.493 ppm2=7.312
assign ( resid 1089 and name HD#
)
( resid 2 and name HE2#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 90 and name HN
or resid 132 and name HD2#
or resid 132 and name HN
or resid 134 and name HE2#
or resid 160 and name HN
or resid 162 and name HE2#
or resid 162 and name HN
or resid 165 and name HN
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
) 5.0 5.0 0.0 volume=-0.353 peak=1437 ppm1=6.490 ppm2=7.501
assign ( resid 1089 and name HE#
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 124 and name HB#
or resid 128 and name HA
or resid 133 and name HA
or resid 137 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=-0.277 peak=1442 ppm1=6.935 ppm2=4.000
assign ( resid 1089 and name HE#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 104 and name HN
or resid 110 and name HZ
or resid 122 and name HN
or resid 1085 and name HN
or resid 1093 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=-0.448 peak=700 ppm1=6.935 ppm2=7.298
assign ( resid 1090 and name HB#
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 79 and name HB#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.395 peak=1003 ppm1=2.902 ppm2=1.108
assign ( resid 1090 and name HB#
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.498 peak=2105 ppm1=2.249 ppm2=1.107
assign ( resid 1091 and name HA
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=-0.225 peak=2117 ppm1=3.882 ppm2=1.022
assign ( resid 1091 and name HA
)
( resid 9 and name HA
or resid 26 and name HA
or resid 58 and name HB
or resid 82 and name HA
or resid 106 and name HA
or resid 1074 and name HA
or resid 1090 and name HA
or resid 1103 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=-0.372 peak=2115 ppm1=3.875 ppm2=4.576
assign ( resid 1091 and name HB#
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.648 peak=2127 ppm1=1.527 ppm2=1.139
assign ( resid 1091 and name HB#
)
( resid 9 and name HA
or resid 26 and name HA
or resid 58 and name HB
or resid 82 and name HA
or resid 109 and name HA
or resid 1090 and name HA
or resid 1103 and name HA
) 3.5 3.5 0.0 volume=1.417 peak=2123 ppm1=1.531 ppm2=4.583
assign ( resid 1091 and name HB#
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 34 and name HD#
or resid 34 and name HD#
or resid 40 and name HB#
or resid 40 and name HB#
or resid 64 and name HB#
or resid 70 and name HA
or resid 98 and name HA
or resid 101 and name HA
or resid 104 and name HB#
or resid 105 and name HB#
or resid 126 and name HA
or resid 152 and name HA
or resid 1083 and name HB#
or resid 1088 and name HA#
or resid 1094 and name HA#
) 5.0 5.0 0.0 volume=0.242 peak=2124 ppm1=1.521 ppm2=3.556
assign ( resid 1091 and name HB#
)
( resid 49 and name HG#
or resid 74 and name HB#
or resid 95 and name HG#
or resid 96 and name HE#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 127 and name HG#
or resid 150 and name HB#
or resid 156 and name HG#
or resid 1095 and name HG#
or resid 1101 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
or resid 1116 and name HG#
or resid 1116 and name HG#
) 5.0 5.0 0.0 volume=0.550 peak=2126 ppm1=1.527 ppm2=2.279
assign ( resid 1091 and name HB#
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1100 and name HB#
) 3.5 3.5 0.0 volume=1.622 peak=2128 ppm1=1.525 ppm2=0.992
assign ( resid 1091 and name HB#
)
( resid 27 and name HN
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 64 and name HD#
or resid 64 and name HD#
or resid 162 and name HE2#
or resid 1086 and name HD2
or resid 1089 and name HZ
or resid 1095 and name HN
) 5.0 5.0 0.0 volume=0.554 peak=2120 ppm1=1.529 ppm2=7.136
assign ( resid 1091 and name HB#
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 84 and name HB
or resid 90 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 122 and name HB#
or resid 153 and name HE#
or resid 154 and name HB#
or resid 154 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1089 and name HB#
or resid 1111 and name HB#
) 6.0 6.0 0.0 volume=0.194 peak=2125 ppm1=1.534 ppm2=2.851
assign ( resid 1091 and name HB#
)
( resid 120 and name HN
or resid 122 and name HN
or resid 167 and name HD2#
or resid 1085 and name HN
or resid 1093 and name HN
or resid 1096 and name HZ
) 5.0 5.0 0.0 volume=0.430 peak=2119 ppm1=1.531 ppm2=7.342
assign ( resid 1092 and name HA
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HB#
or resid 111 and name HG
or resid 112 and name HB#
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=-0.427 peak=2131 ppm1=3.759 ppm2=1.499
assign ( resid 1092 and name HA
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=-0.387 peak=2133 ppm1=3.759 ppm2=1.148
assign ( resid 1092 and name HB
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 63 and name HB#
or resid 79 and name HB#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.770 peak=2136 ppm1=2.335 ppm2=1.129
assign ( resid 1092 and name HB
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HB#
or resid 111 and name HG
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=0.264 peak=2135 ppm1=2.334 ppm2=1.489
assign ( resid 1092 and name HG#
)
( resid 17 and name HA
or resid 23 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 62 and name HA
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 159 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.925 peak=2138 ppm1=0.935 ppm2=4.233
assign ( resid 1092 and name HG#
)
( resid 21 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HG
or resid 128 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 145 and name HG
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=0.514 peak=2146 ppm1=0.931 ppm2=1.475
assign ( resid 1092 and name HG#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 106 and name HB#
or resid 123 and name HB#
or resid 126 and name HB
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=0.357 peak=2141 ppm1=0.932 ppm2=2.031
assign ( resid 1092 and name HG#
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HB#
or resid 111 and name HG
or resid 112 and name HB#
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 3.5 3.5 0.0 volume=1.816 peak=2157 ppm1=1.040 ppm2=1.501
assign ( resid 1092 and name HG#
)
( resid 26 and name HB#
or resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 82 and name HB#
or resid 92 and name HB#
or resid 110 and name HB#
or resid 121 and name HB#
or resid 148 and name HB#
or resid 153 and name HE#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.268 peak=2155 ppm1=1.043 ppm2=2.922
assign ( resid 1092 and name HG#
)
( resid 17 and name HA
or resid 23 and name HA
or resid 29 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 62 and name HA
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 159 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.680 peak=2154 ppm1=1.039 ppm2=4.239
assign ( resid 1092 and name HG#
)
( resid 9 and name HA
or resid 26 and name HA
or resid 58 and name HB
or resid 82 and name HA
or resid 106 and name HA
or resid 1074 and name HA
or resid 1090 and name HA
or resid 1103 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=0.274 peak=1006 ppm1=1.044 ppm2=4.576
assign ( resid 1093 and name HB
)
( resid 2 and name HG#
or resid 2 and name HG#
or resid 29 and name HB#
or resid 31 and name HG#
or resid 31 and name HG#
or resid 49 and name HB#
or resid 77 and name HB
or resid 81 and name HB#
or resid 91 and name HB#
or resid 98 and name HB
or resid 109 and name HG#
or resid 109 and name HG#
or resid 112 and name HB#
or resid 113 and name HB
or resid 127 and name HB#
or resid 127 and name HB#
or resid 133 and name HB#
or resid 143 and name HB#
or resid 162 and name HG#
or resid 1082 and name HG#
or resid 1090 and name HB#
or resid 1095 and name HG#
or resid 1095 and name HG#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=-0.558 peak=750 ppm1=4.265 ppm2=2.184
assign ( resid 1093 and name HG2#
)
( resid 48 and name HA#
or resid 114 and name HA#
or resid 136 and name HD#
or resid 136 and name HD#
or resid 179 and name HD#
or resid 180 and name HD#
or resid 182 and name HD#
or resid 1079 and name HB#
or resid 1092 and name HA
or resid 1098 and name HA#
) 5.0 5.0 0.0 volume=0.467 peak=2171 ppm1=1.184 ppm2=3.729
assign ( resid 1093 and name HG2#
)
( resid 20 and name HG
or resid 49 and name HG#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 91 and name HB#
or resid 95 and name HG#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 123 and name HG#
or resid 123 and name HG#
or resid 150 and name HB#
or resid 162 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 3.5 3.5 0.0 volume=1.652 peak=2173 ppm1=1.184 ppm2=2.253
assign ( resid 1093 and name HG2#
)
( resid 29 and name HA
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 147 and name HA
or resid 159 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1099 and name HA
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 2.8 2.8 0.0 volume=9.376 peak=1210 ppm1=1.177 ppm2=4.260
assign ( resid 1093 and name HG2#
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 82 and name HB#
or resid 90 and name HB#
or resid 92 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 148 and name HB#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.248 peak=2172 ppm1=1.184 ppm2=2.877
assign ( resid 1093 and name HG2#
)
( resid 27 and name HN
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 64 and name HD#
or resid 64 and name HD#
or resid 162 and name HE2#
or resid 1086 and name HD2
or resid 1089 and name HZ
or resid 1095 and name HN
) 5.0 5.0 0.0 volume=0.354 peak=2169 ppm1=1.184 ppm2=7.131
assign ( resid 1094 and name HA#
)
( resid 10 and name HN
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 72 and name HN
or resid 132 and name HD2#
or resid 153 and name HN
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1102 and name HE2#
or resid 1108 and name HE2#
or resid 1111 and name HD2#
) 5.0 5.0 0.0 volume=0.234 peak=2177 ppm1=4.033 ppm2=6.952
assign ( resid 1094 and name HA#
)
( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 153 and name HN
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1108 and name HE2#
or resid 1117 and name HE2#
) 6.0 6.0 0.0 volume=0.194 peak=2174 ppm1=3.552 ppm2=6.940
assign ( resid 1095 and name HG#
)
( resid 29 and name HA
or resid 44 and name HA
or resid 62 and name HA
or resid 71 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 147 and name HA
or resid 159 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.682 peak=2018 ppm1=2.149 ppm2=4.251
assign ( resid 1096 and name HA
)
( resid 4 and name HA
or resid 25 and name HA
or resid 27 and name HA
or resid 61 and name HA
or resid 65 and name HA
or resid 89 and name HB#
or resid 89 and name HB#
or resid 107 and name HA
or resid 123 and name HD#
or resid 136 and name HA
or resid 161 and name HB
or resid 180 and name HA
or resid 182 and name HA
or resid 1077 and name HA
or resid 1098 and name HA#
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=-0.230 peak=1930 ppm1=5.474 ppm2=4.472
assign ( resid 1096 and name HA
)
( resid 29 and name HA
or resid 35 and name HB
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 104 and name HA
or resid 159 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1093 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1099 and name HA
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
) 6.0 6.0 0.0 volume=-0.191 peak=1929 ppm1=5.481 ppm2=4.265
assign ( resid 1096 and name HA
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 79 and name HB#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=-0.317 peak=2186 ppm1=5.474 ppm2=1.111
assign ( resid 1096 and name HD#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 110 and name HZ
or resid 122 and name HN
or resid 1085 and name HN
or resid 1093 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
) 3.5 3.5 0.0 volume=-2.762 peak=1397 ppm1=7.506 ppm2=7.307
assign ( resid 1096 and name HD#
)
( resid 34 and name HA
or resid 38 and name HA
or resid 51 and name HA
or resid 113 and name HA
or resid 185 and name H2'
or resid 1087 and name HA
or resid 1089 and name HA
) 5.0 5.0 0.0 volume=-0.265 peak=1400 ppm1=7.506 ppm2=4.928
assign ( resid 1096 and name HD#
)
( resid 64 and name HE#
or resid 64 and name HE#
or resid 1089 and name HD#
or resid 1089 and name HD#
or resid 1089 and name HD#
or resid 1089 and name HD#
) 5.0 5.0 0.0 volume=-0.314 peak=1398 ppm1=7.506 ppm2=6.503
assign ( resid 1096 and name HE#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=-0.292 peak=1407 ppm1=7.316 ppm2=0.714
assign ( resid 1096 and name HE#
)
( resid 64 and name HE#
or resid 64 and name HE#
or resid 72 and name HE#
or resid 72 and name HE#
or resid 1089 and name HD#
or resid 1089 and name HD#
or resid 1089 and name HD#
or resid 1089 and name HD#
) 5.0 5.0 0.0 volume=-0.430 peak=1409 ppm1=7.308 ppm2=6.518
assign ( resid 1096 and name HZ
)
( resid 64 and name HE#
or resid 64 and name HE#
or resid 72 and name HE#
or resid 72 and name HE#
or resid 1089 and name HD#
or resid 1089 and name HD#
or resid 1089 and name HD#
or resid 1089 and name HD#
) 5.0 5.0 0.0 volume=-0.304 peak=1403 ppm1=7.332 ppm2=6.523
assign ( resid 1097 and name HG2#
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 82 and name HB#
or resid 90 and name HB#
or resid 92 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 148 and name HB#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.843 peak=2198 ppm1=1.147 ppm2=2.878
assign ( resid 1097 and name HG2#
)
( resid 40 and name HA
or resid 55 and name HA
or resid 156 and name HA
or resid 1086 and name HA
or resid 1096 and name HA
) 5.0 5.0 0.0 volume=0.407 peak=2197 ppm1=1.147 ppm2=5.478
assign ( resid 1097 and name HG2#
)
( resid 52 and name HN
or resid 84 and name HN
or resid 111 and name HN
or resid 1080 and name HN
or resid 1096 and name HN
or resid 1098 and name HN
) 3.5 3.5 0.0 volume=1.277 peak=2194 ppm1=1.147 ppm2=8.793
assign ( resid 1097 and name HG2#
)
( resid 2 and name HG#
or resid 2 and name HG#
or resid 20 and name HG
or resid 49 and name HB#
or resid 74 and name HG#
or resid 81 and name HB#
or resid 91 and name HB#
or resid 98 and name HB
or resid 112 and name HB#
or resid 123 and name HG#
or resid 123 and name HG#
or resid 143 and name HB#
or resid 162 and name HB#
or resid 162 and name HG#
or resid 1082 and name HG#
or resid 1090 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 3.5 3.5 0.0 volume=1.382 peak=2200 ppm1=1.146 ppm2=2.214
assign ( resid 1098 and name HA#
)
( resid 37 and name HA
or resid 72 and name HA
or resid 1097 and name HA
) 5.0 5.0 0.0 volume=0.239 peak=2199 ppm1=3.762 ppm2=4.675
assign ( resid 1099 and name HB#
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 79 and name HB#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.252 peak=2215 ppm1=1.965 ppm2=1.109
assign ( resid 1099 and name HE#
)
( resid 55 and name HA
or resid 112 and name HA
or resid 156 and name HA
or resid 1086 and name HA
or resid 1096 and name HA
) 5.0 5.0 0.0 volume=0.304 peak=1735 ppm1=1.660 ppm2=5.460
assign ( resid 1099 and name HE#
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 88 and name HB#
or resid 88 and name HB#
or resid 91 and name HA
or resid 124 and name HB#
or resid 128 and name HA
or resid 133 and name HA
or resid 140 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1104 and name HA
) 3.5 3.5 0.0 volume=1.601 peak=1737 ppm1=1.663 ppm2=4.023
assign ( resid 1099 and name HE#
)
( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 101 and name HB
or resid 1100 and name HG#
) 3.5 3.5 0.0 volume=1.417 peak=1750 ppm1=1.659 ppm2=0.409
assign ( resid 1099 and name HE#
)
( resid 34 and name HA
or resid 38 and name HA
or resid 51 and name HA
or resid 113 and name HA
or resid 185 and name H2'
or resid 1081 and name HA
or resid 1087 and name HA
or resid 1089 and name HA
) 5.0 5.0 0.0 volume=0.234 peak=1741 ppm1=1.663 ppm2=4.917
assign ( resid 1099 and name HE#
)
( resid 83 and name HN
or resid 89 and name HN
or resid 112 and name HN
or resid 131 and name HN
or resid 156 and name HN
or resid 161 and name HN
or resid 184 and name HN
or resid 1099 and name HN
or resid 1104 and name HN
or resid 1112 and name HN
or resid 1118 and name HN
) 3.5 3.5 0.0 volume=1.394 peak=1732 ppm1=1.660 ppm2=8.136
assign ( resid 1099 and name HE#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 2.8 2.8 0.0 volume=6.677 peak=1748 ppm1=1.660 ppm2=0.723
assign ( resid 1099 and name HE#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=0.998 peak=1751 ppm1=1.659 ppm2=1.270
assign ( resid 1099 and name HE#
)
( resid 6 and name HB#
or resid 6 and name HB#
or resid 23 and name HB#
or resid 26 and name HB#
or resid 32 and name HB#
or resid 32 and name HB#
or resid 68 and name HD#
or resid 68 and name HD#
or resid 75 and name HA
or resid 107 and name HE#
or resid 107 and name HE#
or resid 131 and name HE#
or resid 131 and name HE#
or resid 132 and name HB#
or resid 133 and name HE#
or resid 133 and name HE#
or resid 150 and name HE#
or resid 150 and name HE#
or resid 183 and name HE#
or resid 183 and name HE#
or resid 1103 and name HB#
or resid 1114 and name HE#
or resid 1114 and name HE#
) 3.5 3.5 0.0 volume=1.776 peak=1740 ppm1=1.660 ppm2=3.085
assign ( resid 1099 and name HE#
)
( resid 17 and name HB
or resid 31 and name HA
or resid 59 and name HA
or resid 85 and name HA
or resid 106 and name HA
or resid 118 and name HA
or resid 180 and name HA
or resid 1074 and name HA
or resid 1076 and name HA
or resid 1077 and name HA
or resid 1095 and name HA
or resid 1103 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=0.325 peak=1738 ppm1=1.660 ppm2=4.523
assign ( resid 1099 and name HE#
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 79 and name HB#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 3.5 3.5 0.0 volume=3.465 peak=1749 ppm1=1.659 ppm2=1.112
assign ( resid 1099 and name HE#
)
( resid 79 and name HA
or resid 92 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
or resid 1075 and name HA
or resid 1079 and name HA
or resid 1111 and name HA
) 5.0 5.0 0.0 volume=0.277 peak=1739 ppm1=1.660 ppm2=4.814
assign ( resid 1099 and name HE#
)
( resid 52 and name HN
or resid 84 and name HN
or resid 111 and name HN
or resid 1080 and name HN
or resid 1096 and name HN
or resid 1098 and name HN
) 5.0 5.0 0.0 volume=0.395 peak=1733 ppm1=1.660 ppm2=8.788
assign ( resid 1099 and name HE#
)
( resid 4 and name HN
or resid 9 and name HN
or resid 22 and name HN
or resid 82 and name HN
or resid 88 and name HN
or resid 170 and name HN
or resid 1083 and name HN
or resid 1097 and name HN
or resid 1101 and name HN
) 5.0 5.0 0.0 volume=0.200 peak=1734 ppm1=1.656 ppm2=8.989
assign ( resid 1099 and name HG#
)
( resid 6 and name HB#
or resid 6 and name HB#
or resid 23 and name HB#
or resid 26 and name HB#
or resid 32 and name HB#
or resid 32 and name HB#
or resid 68 and name HD#
or resid 68 and name HD#
or resid 104 and name HB#
or resid 107 and name HE#
or resid 107 and name HE#
or resid 110 and name HB#
or resid 128 and name HE#
or resid 128 and name HE#
or resid 131 and name HE#
or resid 131 and name HE#
or resid 132 and name HB#
or resid 133 and name HE#
or resid 133 and name HE#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 144 and name HE#
or resid 144 and name HE#
or resid 150 and name HE#
or resid 150 and name HE#
or resid 151 and name HA
or resid 168 and name HA
or resid 183 and name HE#
or resid 183 and name HE#
or resid 184 and name HE#
or resid 184 and name HE#
or resid 1086 and name HB#
or resid 1100 and name HD#
or resid 1114 and name HE#
or resid 1114 and name HE#
or resid 1118 and name HE#
or resid 1118 and name HE#
) 5.0 5.0 0.0 volume=0.387 peak=2232 ppm1=2.605 ppm2=3.048
assign ( resid 1099 and name HG#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 64 and name HN
or resid 104 and name HN
or resid 110 and name HZ
or resid 1085 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
or resid 1103 and name HE3
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=0.294 peak=2217 ppm1=2.472 ppm2=7.280
assign ( resid 1099 and name HG#
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 88 and name HB#
or resid 88 and name HB#
or resid 91 and name HA
or resid 124 and name HB#
or resid 128 and name HA
or resid 133 and name HA
or resid 140 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=0.409 peak=2219 ppm1=2.472 ppm2=4.024
assign ( resid 1099 and name HG#
)
( resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 137 and name HD1#
or resid 137 and name HD1#
or resid 137 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
) 5.0 5.0 0.0 volume=0.220 peak=2229 ppm1=2.475 ppm2=0.555
assign ( resid 1099 and name HG#
)
( resid 23 and name HB#
or resid 26 and name HB#
or resid 32 and name HB#
or resid 32 and name HB#
or resid 68 and name HD#
or resid 68 and name HD#
or resid 78 and name HB#
or resid 78 and name HB#
or resid 97 and name HB#
or resid 104 and name HB#
or resid 107 and name HE#
or resid 107 and name HE#
or resid 110 and name HB#
or resid 128 and name HE#
or resid 128 and name HE#
or resid 131 and name HE#
or resid 131 and name HE#
or resid 133 and name HE#
or resid 133 and name HE#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 144 and name HE#
or resid 144 and name HE#
or resid 151 and name HA
or resid 168 and name HA
or resid 183 and name HE#
or resid 183 and name HE#
or resid 184 and name HE#
or resid 184 and name HE#
or resid 1086 and name HB#
or resid 1100 and name HD#
or resid 1114 and name HE#
or resid 1114 and name HE#
or resid 1118 and name HE#
or resid 1118 and name HE#
) 5.0 5.0 0.0 volume=0.326 peak=2220 ppm1=2.473 ppm2=3.040
assign ( resid 1099 and name HG#
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 88 and name HB#
or resid 88 and name HB#
or resid 91 and name HA
or resid 124 and name HB#
or resid 128 and name HA
or resid 133 and name HA
or resid 140 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=0.299 peak=2231 ppm1=2.602 ppm2=4.023
assign ( resid 1099 and name HG#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 64 and name HN
or resid 104 and name HN
or resid 110 and name HZ
or resid 1085 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
or resid 1103 and name HE3
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=0.317 peak=2230 ppm1=2.598 ppm2=7.280
assign ( resid 1100 and name HA
)
( resid 8 and name HB
or resid 19 and name HB#
or resid 38 and name HB#
or resid 38 and name HB#
or resid 57 and name HB#
or resid 62 and name HG#
or resid 62 and name HG#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 93 and name HB
or resid 95 and name HG#
or resid 96 and name HE#
or resid 109 and name HB#
or resid 127 and name HG#
or resid 140 and name HG#
or resid 150 and name HB#
or resid 156 and name HG#
or resid 169 and name HB#
or resid 178 and name HG#
or resid 178 and name HG#
or resid 180 and name HB#
or resid 181 and name HG#
or resid 181 and name HG#
or resid 182 and name HB#
or resid 1092 and name HB
or resid 1101 and name HG#
or resid 1116 and name HG#
or resid 1116 and name HG#
) 5.0 5.0 0.0 volume=-0.263 peak=1221 ppm1=4.257 ppm2=2.331
assign ( resid 1100 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
) 5.0 5.0 0.0 volume=0.302 peak=2248 ppm1=1.333 ppm2=0.829
assign ( resid 1101 and name HA
)
( resid 8 and name HB
or resid 38 and name HB#
or resid 38 and name HB#
or resid 57 and name HB#
or resid 62 and name HG#
or resid 62 and name HG#
or resid 93 and name HB
or resid 95 and name HG#
or resid 96 and name HE#
or resid 109 and name HB#
or resid 127 and name HG#
or resid 140 and name HG#
or resid 150 and name HB#
or resid 156 and name HG#
or resid 169 and name HB#
or resid 178 and name HG#
or resid 178 and name HG#
or resid 180 and name HB#
or resid 181 and name HG#
or resid 181 and name HG#
or resid 182 and name HB#
or resid 1092 and name HB
or resid 1101 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
or resid 1116 and name HG#
or resid 1116 and name HG#
) 3.5 3.5 0.0 volume=-1.239 peak=1123 ppm1=4.028 ppm2=2.326
assign ( resid 1101 and name HB#
)
( resid 17 and name HA
or resid 23 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 184 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.455 peak=2247 ppm1=2.147 ppm2=4.219
assign ( resid 1101 and name HB#
)
( resid 21 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HG
or resid 128 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 145 and name HG
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 174 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=0.302 peak=2250 ppm1=2.147 ppm2=1.472
assign ( resid 1101 and name HB#
)
( resid 17 and name HA
or resid 23 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 129 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 184 and name HA
or resid 1082 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.541 peak=2244 ppm1=2.032 ppm2=4.215
assign ( resid 1101 and name HB#
)
( resid 21 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HG
or resid 128 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 145 and name HG
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=0.320 peak=2243 ppm1=2.032 ppm2=1.473
assign ( resid 1101 and name HG#
)
( resid 17 and name HA
or resid 23 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 129 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 155 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 184 and name HA
or resid 1082 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.382 peak=2251 ppm1=2.320 ppm2=4.210
assign ( resid 1101 and name HG#
)
( resid 17 and name HA
or resid 23 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 184 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.293 peak=2256 ppm1=2.385 ppm2=4.220
assign ( resid 1102 and name HA
)
( resid 21 and name HG1#
or resid 67 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HG
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=-0.235 peak=2265 ppm1=4.126 ppm2=1.482
assign ( resid 1102 and name HB#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=0.493 peak=2273 ppm1=2.148 ppm2=0.896
assign ( resid 1102 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=0.785 peak=2383 ppm1=2.500 ppm2=0.897
assign ( resid 1102 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=0.866 peak=2382 ppm1=2.571 ppm2=0.898
assign ( resid 1103 and name HD1
)
( resid 10 and name HA#
or resid 20 and name HA
or resid 30 and name HA
or resid 52 and name HB
or resid 66 and name HA
or resid 71 and name HB#
or resid 83 and name HB#
or resid 83 and name HB#
or resid 108 and name HB
or resid 116 and name HA
or resid 124 and name HB#
or resid 141 and name HB
or resid 158 and name HB#
or resid 158 and name HB#
or resid 166 and name HA
or resid 175 and name HA
or resid 1102 and name HA
) 6.0 6.0 0.0 volume=-0.190 peak=1452 ppm1=6.908 ppm2=4.104
assign ( resid 1103 and name HD1
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=-0.486 peak=1453 ppm1=6.909 ppm2=0.895
assign ( resid 1103 and name HE3
)
( resid 70 and name HN
or resid 72 and name HN
or resid 132 and name HD2#
or resid 153 and name HN
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1083 and name HD2
or resid 1102 and name HE2#
or resid 1108 and name HE2#
or resid 1111 and name HD2#
) 6.0 6.0 0.0 volume=-0.198 peak=1490 ppm1=7.286 ppm2=6.976
assign ( resid 1103 and name HZ2
)
( resid 17 and name HA
or resid 23 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 184 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=-0.561 peak=1498 ppm1=6.908 ppm2=4.220
assign ( resid 1103 and name HZ2
)
( resid 2 and name HE2#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 90 and name HN
or resid 132 and name HD2#
or resid 134 and name HE2#
or resid 160 and name HN
or resid 162 and name HN
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
) 5.0 5.0 0.0 volume=-0.224 peak=1495 ppm1=6.904 ppm2=7.528
assign ( resid 1104 and name HA
)
( resid 45 and name HE#
or resid 45 and name HE#
or resid 45 and name HE#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 63 and name HB#
or resid 94 and name HB#
or resid 107 and name HB#
or resid 129 and name HB#
or resid 129 and name HG
or resid 135 and name HB#
or resid 137 and name HB
or resid 140 and name HB#
or resid 144 and name HB#
or resid 147 and name HG#
or resid 149 and name HG
or resid 150 and name HB#
or resid 182 and name HB#
or resid 183 and name HB#
or resid 1099 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HB
or resid 1114 and name HB#
) 5.0 5.0 0.0 volume=-0.301 peak=1011 ppm1=4.059 ppm2=1.926
assign ( resid 1104 and name HA
)
( resid 39 and name HB#
or resid 42 and name HB
or resid 85 and name HB
or resid 121 and name HB#
or resid 123 and name HB#
or resid 157 and name HB#
or resid 1099 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=-0.268 peak=1014 ppm1=4.059 ppm2=2.482
assign ( resid 1104 and name HB#
)
( resid 68 and name HN
or resid 74 and name HE2#
or resid 77 and name HN
or resid 100 and name HN
or resid 108 and name HN
or resid 142 and name HN
or resid 1102 and name HE2#
or resid 1106 and name HN
or resid 1108 and name HE2#
) 5.0 5.0 0.0 volume=0.349 peak=2275 ppm1=1.514 ppm2=7.595
assign ( resid 1104 and name HB#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 64 and name HN
or resid 104 and name HN
or resid 110 and name HZ
or resid 1085 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
or resid 1103 and name HE3
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=0.701 peak=2276 ppm1=1.514 ppm2=7.283
assign ( resid 1104 and name HB#
)
( resid 44 and name HN
or resid 81 and name HN
or resid 1102 and name HN
) 5.0 5.0 0.0 volume=0.284 peak=1068 ppm1=1.514 ppm2=9.093
assign ( resid 1104 and name HB#
)
( resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 137 and name HD1#
or resid 137 and name HD1#
or resid 137 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
) 5.0 5.0 0.0 volume=0.249 peak=2285 ppm1=1.516 ppm2=0.552
assign ( resid 1104 and name HB#
)
( resid 45 and name HE#
or resid 45 and name HE#
or resid 45 and name HE#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 94 and name HB#
or resid 107 and name HB#
or resid 129 and name HG
or resid 135 and name HB#
or resid 137 and name HB
or resid 140 and name HB#
or resid 144 and name HB#
or resid 147 and name HG#
or resid 149 and name HG
or resid 150 and name HB#
or resid 180 and name HB#
or resid 181 and name HB#
or resid 182 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HB
or resid 1116 and name HB#
) 3.5 3.5 0.0 volume=1.639 peak=2280 ppm1=1.511 ppm2=1.945
assign ( resid 1104 and name HB#
)
( resid 3 and name HB
or resid 17 and name HA
or resid 23 and name HA
or resid 30 and name HA
or resid 48 and name HA#
or resid 86 and name HB#
or resid 123 and name HA
or resid 127 and name HA
or resid 129 and name HA
or resid 131 and name HA
or resid 139 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 155 and name HA
or resid 184 and name HA
or resid 1082 and name HA
or resid 1105 and name HA
or resid 1118 and name HA
) 3.5 3.5 0.0 volume=1.258 peak=2277 ppm1=1.514 ppm2=4.180
assign ( resid 1105 and name HB#
)
( resid 1 and name HG#
or resid 1 and name HG#
or resid 23 and name HB#
or resid 39 and name HB#
or resid 51 and name HB#
or resid 81 and name HB#
or resid 85 and name HB
or resid 100 and name HG#
or resid 100 and name HG#
or resid 121 and name HB#
or resid 170 and name HB#
or resid 171 and name HG#
or resid 1086 and name HB#
or resid 1099 and name HG#
or resid 1102 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=0.308 peak=2293 ppm1=1.967 ppm2=2.518
assign ( resid 1105 and name HB#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=0.529 peak=2297 ppm1=1.967 ppm2=0.875
assign ( resid 1105 and name HB#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 94 and name HG#
or resid 94 and name HG#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 5.0 5.0 0.0 volume=0.227 peak=2296 ppm1=1.967 ppm2=1.306
assign ( resid 1105 and name HB#
)
( resid 21 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HG
or resid 128 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 145 and name HG
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=0.546 peak=2295 ppm1=1.967 ppm2=1.477
assign ( resid 1105 and name HD#
)
( resid 3 and name HB
or resid 22 and name HB#
or resid 22 and name HB#
or resid 30 and name HA
or resid 95 and name HA
or resid 108 and name HB
or resid 129 and name HA
or resid 131 and name HA
or resid 139 and name HA
or resid 145 and name HA
or resid 155 and name HA
or resid 1082 and name HA
or resid 1102 and name HA
or resid 1105 and name HA
) 3.5 3.5 0.0 volume=1.348 peak=792 ppm1=3.282 ppm2=4.151
assign ( resid 1105 and name HG#
)
( resid 74 and name HE2#
or resid 77 and name HN
or resid 100 and name HN
or resid 108 and name HN
or resid 142 and name HN
or resid 1102 and name HE2#
or resid 1106 and name HN
or resid 1108 and name HE2#
) 5.0 5.0 0.0 volume=0.428 peak=999 ppm1=1.737 ppm2=7.609
assign ( resid 1105 and name HG#
)
( resid 49 and name HG#
or resid 74 and name HB#
or resid 95 and name HG#
or resid 96 and name HE#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 127 and name HG#
or resid 150 and name HB#
or resid 156 and name HG#
or resid 1095 and name HG#
or resid 1101 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
or resid 1116 and name HG#
or resid 1116 and name HG#
) 5.0 5.0 0.0 volume=0.365 peak=2300 ppm1=1.815 ppm2=2.286
assign ( resid 1106 and name HB#
)
( resid 35 and name HN
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 101 and name HB
) 5.0 5.0 0.0 volume=0.341 peak=2055 ppm1=1.939 ppm2=0.387
assign ( resid 1106 and name HB#
)
( resid 35 and name HN
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 101 and name HB
) 5.0 5.0 0.0 volume=0.408 peak=2054 ppm1=1.553 ppm2=0.387
assign ( resid 1106 and name HD#
)
( resid 66 and name HD#
or resid 66 and name HD#
or resid 72 and name HB#
or resid 72 and name HB#
or resid 147 and name HD#
or resid 1103 and name HB#
or resid 1105 and name HD#
or resid 1105 and name HD#
) 5.0 5.0 0.0 volume=0.369 peak=2330 ppm1=0.911 ppm2=3.259
assign ( resid 1106 and name HD#
)
( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 153 and name HN
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1103 and name HD1
or resid 1108 and name HE2#
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=0.291 peak=2334 ppm1=0.911 ppm2=6.932
assign ( resid 1106 and name HD#
)
( resid 35 and name HN
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 101 and name HB
) 3.5 3.5 0.0 volume=3.322 peak=2324 ppm1=0.939 ppm2=0.388
assign ( resid 1106 and name HD#
)
( resid 6 and name HB#
or resid 6 and name HB#
or resid 23 and name HB#
or resid 26 and name HB#
or resid 32 and name HB#
or resid 32 and name HB#
or resid 68 and name HD#
or resid 68 and name HD#
or resid 104 and name HB#
or resid 107 and name HE#
or resid 107 and name HE#
or resid 128 and name HE#
or resid 128 and name HE#
or resid 131 and name HE#
or resid 131 and name HE#
or resid 132 and name HB#
or resid 133 and name HE#
or resid 133 and name HE#
or resid 144 and name HE#
or resid 144 and name HE#
or resid 150 and name HE#
or resid 150 and name HE#
or resid 151 and name HA
or resid 183 and name HE#
or resid 183 and name HE#
or resid 184 and name HE#
or resid 184 and name HE#
or resid 1114 and name HE#
or resid 1114 and name HE#
) 6.0 6.0 0.0 volume=0.181 peak=2321 ppm1=0.941 ppm2=3.061
assign ( resid 1106 and name HD#
)
( resid 66 and name HD#
or resid 66 and name HD#
or resid 72 and name HB#
or resid 72 and name HB#
or resid 147 and name HD#
or resid 1103 and name HB#
or resid 1105 and name HD#
or resid 1105 and name HD#
) 5.0 5.0 0.0 volume=0.291 peak=2320 ppm1=0.938 ppm2=3.254
assign ( resid 1106 and name HD#
)
( resid 40 and name HB#
or resid 40 and name HB#
or resid 64 and name HB#
or resid 70 and name HA
or resid 99 and name HD#
or resid 99 and name HD#
or resid 101 and name HA
or resid 104 and name HB#
or resid 152 and name HA
or resid 1083 and name HB#
or resid 1088 and name HA#
or resid 1094 and name HA#
) 5.0 5.0 0.0 volume=0.246 peak=2319 ppm1=0.941 ppm2=3.534
assign ( resid 1106 and name HD#
)
( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 26 and name HD2#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 74 and name HE2#
or resid 134 and name HE2#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1103 and name HD1
or resid 1103 and name HZ2
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=0.937 peak=2317 ppm1=0.941 ppm2=6.912
assign ( resid 1106 and name HG
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 96 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.275 peak=1688 ppm1=1.886 ppm2=0.707
assign ( resid 1106 and name HG
)
( resid 35 and name HN
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 101 and name HB
) 5.0 5.0 0.0 volume=0.277 peak=1689 ppm1=1.885 ppm2=0.385
assign ( resid 1106 and name HG
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 3.5 3.5 0.0 volume=3.973 peak=2467 ppm1=1.883 ppm2=0.884
assign ( resid 1107 and name HB#
)
( resid 24 and name HN
or resid 74 and name HE2#
or resid 77 and name HN
or resid 100 and name HN
or resid 141 and name HN
or resid 142 and name HN
or resid 1102 and name HE2#
or resid 1106 and name HN
) 6.0 6.0 0.0 volume=0.192 peak=2339 ppm1=1.784 ppm2=7.621
assign ( resid 1107 and name HD#
)
( resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 137 and name HG2#
or resid 137 and name HG2#
or resid 137 and name HG2#
) 3.5 3.5 0.0 volume=2.286 peak=2315 ppm1=0.746 ppm2=0.310
assign ( resid 1107 and name HD#
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 63 and name HB#
or resid 70 and name HG
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1112 and name HG1#
) 5.0 5.0 0.0 volume=0.793 peak=1005 ppm1=0.749 ppm2=1.183
assign ( resid 1107 and name HD#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 120 and name HG#
or resid 120 and name HG#
or resid 128 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
or resid 1114 and name HG#
or resid 1114 and name HG#
or resid 1118 and name HG#
or resid 1118 and name HG#
) 5.0 5.0 0.0 volume=1.144 peak=1004 ppm1=0.749 ppm2=1.424
assign ( resid 1107 and name HD#
)
( resid 66 and name HD#
or resid 66 and name HD#
or resid 72 and name HB#
or resid 72 and name HB#
or resid 147 and name HD#
or resid 1103 and name HB#
or resid 1105 and name HD#
or resid 1105 and name HD#
) 5.0 5.0 0.0 volume=0.800 peak=2452 ppm1=0.747 ppm2=3.239
assign ( resid 1107 and name HD#
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 133 and name HA
or resid 137 and name HA
or resid 144 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
) 3.5 3.5 0.0 volume=1.461 peak=2451 ppm1=0.748 ppm2=3.978
assign ( resid 1107 and name HD#
)
( resid 17 and name HB
or resid 31 and name HA
or resid 58 and name HB
or resid 59 and name HA
or resid 85 and name HA
or resid 106 and name HA
or resid 118 and name HA
or resid 1074 and name HA
or resid 1076 and name HA
or resid 1095 and name HA
or resid 1103 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=0.236 peak=2450 ppm1=0.746 ppm2=4.545
assign ( resid 1107 and name HD#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 110 and name HZ
or resid 122 and name HN
or resid 1085 and name HN
or resid 1093 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
) 5.0 5.0 0.0 volume=0.422 peak=2448 ppm1=0.749 ppm2=7.302
assign ( resid 1107 and name HD#
)
( resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 68 and name HN
or resid 100 and name HN
or resid 108 and name HN
or resid 134 and name HE2#
or resid 1102 and name HE2#
or resid 1108 and name HE2#
) 5.0 5.0 0.0 volume=0.268 peak=2447 ppm1=0.747 ppm2=7.562
assign ( resid 1107 and name HD#
)
( resid 66 and name HG#
or resid 66 and name HG#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 133 and name HD#
or resid 135 and name HB#
or resid 147 and name HG#
or resid 152 and name HB
or resid 163 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1107 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 2.8 2.8 0.0 volume=6.330 peak=950 ppm1=0.749 ppm2=1.671
assign ( resid 1107 and name HD#
)
( resid 31 and name HA
or resid 58 and name HB
or resid 59 and name HA
or resid 85 and name HA
or resid 106 and name HA
or resid 118 and name HA
or resid 1074 and name HA
or resid 1076 and name HA
or resid 1103 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=0.248 peak=2350 ppm1=0.771 ppm2=4.553
assign ( resid 1107 and name HD#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 120 and name HG#
or resid 120 and name HG#
or resid 128 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
or resid 1085 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
or resid 1118 and name HG#
or resid 1118 and name HG#
) 3.5 3.5 0.0 volume=1.531 peak=2357 ppm1=0.769 ppm2=1.435
assign ( resid 1107 and name HD#
)
( resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 137 and name HD1#
or resid 137 and name HD1#
or resid 137 and name HD1#
) 3.5 3.5 0.0 volume=4.178 peak=2534 ppm1=0.776 ppm2=0.544
assign ( resid 1107 and name HD#
)
( resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 135 and name HB#
or resid 147 and name HG#
or resid 152 and name HB
or resid 163 and name HB#
or resid 1075 and name HG1#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1107 and name HB#
) 2.8 2.8 0.0 volume=6.967 peak=947 ppm1=0.768 ppm2=1.663
assign ( resid 1107 and name HD#
)
( resid 6 and name HB#
or resid 6 and name HB#
or resid 23 and name HB#
or resid 26 and name HB#
or resid 32 and name HB#
or resid 32 and name HB#
or resid 68 and name HD#
or resid 68 and name HD#
or resid 75 and name HA
or resid 107 and name HE#
or resid 107 and name HE#
or resid 131 and name HE#
or resid 131 and name HE#
or resid 132 and name HB#
or resid 133 and name HE#
or resid 133 and name HE#
or resid 150 and name HE#
or resid 150 and name HE#
or resid 183 and name HE#
or resid 183 and name HE#
or resid 1103 and name HB#
or resid 1114 and name HE#
or resid 1114 and name HE#
) 5.0 5.0 0.0 volume=0.340 peak=2352 ppm1=0.769 ppm2=3.084
assign ( resid 1107 and name HD#
)
( resid 66 and name HD#
or resid 66 and name HD#
or resid 72 and name HB#
or resid 72 and name HB#
or resid 147 and name HD#
or resid 1103 and name HB#
or resid 1105 and name HD#
or resid 1105 and name HD#
) 5.0 5.0 0.0 volume=0.458 peak=2353 ppm1=0.769 ppm2=3.248
assign ( resid 1107 and name HD#
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 47 and name HA#
or resid 47 and name HA#
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 124 and name HB#
or resid 128 and name HA
or resid 133 and name HA
or resid 140 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 176 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1104 and name HA
) 3.5 3.5 0.0 volume=1.528 peak=2351 ppm1=0.768 ppm2=4.011
assign ( resid 1107 and name HD#
)
( resid 2 and name HE2#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 90 and name HN
or resid 132 and name HD2#
or resid 134 and name HE2#
or resid 160 and name HN
or resid 162 and name HN
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
) 5.0 5.0 0.0 volume=0.250 peak=2348 ppm1=0.768 ppm2=7.523
assign ( resid 1107 and name HD#
)
( resid 74 and name HE2#
or resid 77 and name HN
or resid 100 and name HN
or resid 108 and name HN
or resid 142 and name HN
or resid 1102 and name HE2#
or resid 1106 and name HN
or resid 1108 and name HE2#
) 5.0 5.0 0.0 volume=0.307 peak=2347 ppm1=0.772 ppm2=7.603
assign ( resid 1107 and name HD#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 104 and name HN
or resid 110 and name HZ
or resid 122 and name HN
or resid 1085 and name HN
or resid 1093 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
or resid 1103 and name HE3
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=0.790 peak=2349 ppm1=0.764 ppm2=7.290
assign ( resid 1107 and name HG
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 3.5 3.5 0.0 volume=2.833 peak=2343 ppm1=1.743 ppm2=0.716
assign ( resid 1108 and name HB#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 165 and name HG
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 177 and name HG
or resid 183 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
) 5.0 5.0 0.0 volume=0.273 peak=2367 ppm1=2.258 ppm2=1.778
assign ( resid 1108 and name HB#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.204 peak=2369 ppm1=2.279 ppm2=0.732
assign ( resid 1108 and name HB#
)
( resid 1 and name HG#
or resid 1 and name HG#
or resid 23 and name HB#
or resid 39 and name HB#
or resid 51 and name HB#
or resid 81 and name HB#
or resid 85 and name HB
or resid 100 and name HG#
or resid 100 and name HG#
or resid 121 and name HB#
or resid 170 and name HB#
or resid 171 and name HG#
or resid 1086 and name HB#
or resid 1099 and name HG#
or resid 1102 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
) 3.5 3.5 0.0 volume=2.943 peak=2366 ppm1=2.264 ppm2=2.518
assign ( resid 1108 and name HG#
)
( resid 138 and name HN
or resid 161 and name HN
or resid 167 and name HN
or resid 171 and name HN
or resid 172 and name HN
or resid 184 and name HN
or resid 1081 and name HN
or resid 1084 and name HN
or resid 1099 and name HN
or resid 1104 and name HN
or resid 1109 and name HN
or resid 1112 and name HN
or resid 1118 and name HN
) 5.0 5.0 0.0 volume=0.302 peak=2376 ppm1=2.571 ppm2=8.087
assign ( resid 1109 and name HB
)
( resid 135 and name HN
or resid 138 and name HN
or resid 167 and name HN
or resid 171 and name HN
or resid 184 and name HN
or resid 1081 and name HN
or resid 1084 and name HN
or resid 1109 and name HN
or resid 1118 and name HN
) 3.5 3.5 0.0 volume=-1.322 peak=748 ppm1=4.400 ppm2=8.066
assign ( resid 1109 and name HB
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HB#
or resid 111 and name HG
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=-0.302 peak=1972 ppm1=4.400 ppm2=1.496
assign ( resid 1109 and name HG2#
)
( resid 1 and name HA
or resid 22 and name HA
or resid 80 and name HA
or resid 119 and name HA
or resid 148 and name HA
or resid 149 and name HA
or resid 153 and name HA
or resid 1085 and name HA
or resid 1108 and name HA
or resid 1109 and name HA
or resid 1109 and name HB
or resid 1113 and name HA
or resid 1114 and name HA
or resid 1117 and name HA
) 2.8 2.8 0.0 volume=11.755 peak=888 ppm1=1.320 ppm2=4.392
assign ( resid 1109 and name HG2#
)
( resid 17 and name HA
or resid 23 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 129 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 184 and name HA
or resid 1082 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.997 peak=891 ppm1=1.320 ppm2=4.211
assign ( resid 1109 and name HG2#
)
( resid 25 and name HN
or resid 31 and name HN
or resid 49 and name HN
or resid 95 and name HN
or resid 97 and name HN
or resid 117 and name HN
or resid 177 and name HN
or resid 178 and name HN
or resid 1108 and name HN
) 5.0 5.0 0.0 volume=0.251 peak=2385 ppm1=1.327 ppm2=7.765
assign ( resid 1109 and name HG2#
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 133 and name HA
or resid 137 and name HA
or resid 144 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=0.381 peak=2387 ppm1=1.322 ppm2=3.978
assign ( resid 1110 and name HB#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=-0.340 peak=2400 ppm1=3.944 ppm2=0.879
assign ( resid 1110 and name HB#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=-0.250 peak=2405 ppm1=3.982 ppm2=0.889
assign ( resid 1111 and name HB#
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=0.273 peak=2407 ppm1=2.913 ppm2=3.961
assign ( resid 1111 and name HB#
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 90 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=0.210 peak=2408 ppm1=2.834 ppm2=3.954
assign ( resid 1111 and name HB#
)
( resid 2 and name HA
or resid 33 and name HA
or resid 73 and name HA
or resid 84 and name HA
or resid 87 and name HA
or resid 88 and name HA
or resid 96 and name HA
or resid 103 and name HA
or resid 124 and name HA
or resid 130 and name HA
or resid 148 and name HA
or resid 164 and name HA#
or resid 167 and name HA
or resid 183 and name HA
or resid 1080 and name HA
or resid 1085 and name HA
or resid 1099 and name HA
or resid 1116 and name HA
or resid 1117 and name HA
) 5.0 5.0 0.0 volume=0.447 peak=735 ppm1=2.839 ppm2=4.334
assign ( resid 1111 and name HB#
)
( resid 2 and name HA
or resid 33 and name HA
or resid 73 and name HA
or resid 80 and name HA
or resid 84 and name HA
or resid 87 and name HA
or resid 88 and name HA
or resid 96 and name HA
or resid 103 and name HA
or resid 124 and name HA
or resid 130 and name HA
or resid 148 and name HA
or resid 164 and name HA#
or resid 167 and name HA
or resid 183 and name HA
or resid 1080 and name HA
or resid 1085 and name HA
or resid 1099 and name HA
or resid 1116 and name HA
or resid 1117 and name HA
) 5.0 5.0 0.0 volume=0.708 peak=743 ppm1=2.915 ppm2=4.337
assign ( resid 1112 and name HA
)
( resid 36 and name HN
or resid 124 and name HN
or resid 149 and name HN
or resid 183 and name HN
or resid 1086 and name HE1
or resid 1111 and name HN
or resid 1115 and name HN
) 5.0 5.0 0.0 volume=-0.358 peak=2409 ppm1=4.272 ppm2=8.429
assign ( resid 1112 and name HD1#
)
( resid 20 and name HG
or resid 49 and name HG#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 91 and name HB#
or resid 95 and name HG#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 123 and name HG#
or resid 123 and name HG#
or resid 150 and name HB#
or resid 162 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 5.0 5.0 0.0 volume=-0.254 peak=2424 ppm1=0.912 ppm2=2.254
assign ( resid 1112 and name HD1#
)
( resid 39 and name HB#
or resid 42 and name HB
or resid 85 and name HB
or resid 121 and name HB#
or resid 123 and name HB#
or resid 157 and name HB#
or resid 1099 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=-0.367 peak=2423 ppm1=0.912 ppm2=2.482
assign ( resid 1112 and name HD1#
)
( resid 25 and name HB
or resid 30 and name HB#
or resid 35 and name HA
or resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 90 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=-0.559 peak=833 ppm1=0.915 ppm2=3.944
assign ( resid 1112 and name HD1#
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 82 and name HB#
or resid 90 and name HB#
or resid 92 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 148 and name HB#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=-0.250 peak=2422 ppm1=0.920 ppm2=2.876
assign ( resid 1112 and name HG1#
)
( resid 1 and name HA
or resid 4 and name HA
or resid 22 and name HA
or resid 25 and name HA
or resid 27 and name HA
or resid 61 and name HA
or resid 65 and name HA
or resid 80 and name HA
or resid 89 and name HB#
or resid 89 and name HB#
or resid 107 and name HA
or resid 119 and name HA
or resid 123 and name HD#
or resid 148 and name HA
or resid 149 and name HA
or resid 153 and name HA
or resid 182 and name HA
or resid 1098 and name HA#
or resid 1109 and name HA
or resid 1114 and name HA
) 5.0 5.0 0.0 volume=0.211 peak=2419 ppm1=1.252 ppm2=4.432
assign ( resid 1112 and name HG2#
)
( resid 25 and name HB
or resid 30 and name HB#
or resid 35 and name HA
or resid 67 and name HA
or resid 90 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=0.308 peak=1970 ppm1=0.961 ppm2=3.941
assign ( resid 1112 and name HG2#
)
( resid 36 and name HN
or resid 124 and name HN
or resid 149 and name HN
or resid 183 and name HN
or resid 1086 and name HE1
or resid 1094 and name HN
or resid 1111 and name HN
or resid 1114 and name HN
or resid 1115 and name HN
or resid 1117 and name HN
) 5.0 5.0 0.0 volume=0.257 peak=2426 ppm1=0.953 ppm2=8.419
assign ( resid 1113 and name HG2#
)
( resid 36 and name HN
or resid 124 and name HN
or resid 183 and name HN
or resid 1086 and name HE1
or resid 1094 and name HN
or resid 1111 and name HN
or resid 1114 and name HN
or resid 1115 and name HN
or resid 1117 and name HN
) 5.0 5.0 0.0 volume=0.473 peak=2439 ppm1=1.254 ppm2=8.408
assign ( resid 1116 and name HA
)
( resid 36 and name HN
or resid 124 and name HN
or resid 149 and name HN
or resid 183 and name HN
or resid 1086 and name HE1
or resid 1094 and name HN
or resid 1111 and name HN
or resid 1114 and name HN
or resid 1115 and name HN
or resid 1117 and name HN
) 3.5 3.5 0.0 volume=-1.531 peak=2397 ppm1=4.374 ppm2=8.416
assign ( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
)
( resid 26 and name HB#
or resid 75 and name HA
or resid 122 and name HB#
or resid 132 and name HB#
or resid 1096 and name HB#
or resid 1103 and name HB#
) 5.0 5.0 0.0 volume=0.449 peak=3879 ppm1=0.995 ppm2=3.126
assign ( resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 123 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=1.078 peak=3574 ppm1=1.288 ppm2=2.090
assign ( resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
)
( resid 1 and name HG#
or resid 1 and name HG#
or resid 23 and name HB#
or resid 39 and name HB#
or resid 45 and name HG#
or resid 45 and name HG#
or resid 51 and name HB#
or resid 81 and name HB#
or resid 85 and name HB
or resid 100 and name HG#
or resid 100 and name HG#
or resid 106 and name HB#
or resid 121 and name HB#
or resid 139 and name HB#
or resid 170 and name HB#
or resid 171 and name HG#
or resid 1086 and name HB#
or resid 1102 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=1.039 peak=3576 ppm1=1.289 ppm2=2.534
assign ( resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 62 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 112 and name HG
or resid 117 and name HB
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 156 and name HB#
or resid 156 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 3.5 3.5 0.0 volume=1.898 peak=57 ppm1=0.692 ppm2=2.045
assign ( resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
)
( resid 7 and name HB
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 137 and name HB
or resid 145 and name HB#
or resid 156 and name HG#
or resid 163 and name HB#
or resid 166 and name HD#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HG
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=1.067 peak=3575 ppm1=1.290 ppm2=1.848
assign ( resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 97 and name HE1
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 2.8 2.8 0.0 volume=5.682 peak=2806 ppm1=1.296 ppm2=0.751
assign ( resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
)
( resid 4 and name HB
or resid 20 and name HB#
or resid 20 and name HB#
or resid 21 and name HB
or resid 66 and name HB#
or resid 94 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 128 and name HD#
or resid 128 and name HD#
or resid 128 and name HG#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 144 and name HD#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 152 and name HB
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HB#
or resid 1082 and name HB#
or resid 1095 and name HB#
or resid 1105 and name HG#
or resid 1105 and name HG#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=1.137 peak=3573 ppm1=1.287 ppm2=1.743
assign ( resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
)
( resid 4 and name HB
or resid 4 and name HG1#
or resid 10 and name HA#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 21 and name HB
or resid 66 and name HB#
or resid 94 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 128 and name HD#
or resid 128 and name HG#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 152 and name HB
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1077 and name HB#
or resid 1082 and name HB#
or resid 1095 and name HB#
or resid 1105 and name HG#
or resid 1105 and name HG#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 5.0 5.0 0.0 volume=1.103 peak=2757 ppm1=0.695 ppm2=1.735
assign ( resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 3.5 3.5 0.0 volume=2.222 peak=3120 ppm1=0.700 ppm2=1.301
assign ( resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
)
( resid 7 and name HB
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 137 and name HB
or resid 145 and name HB#
or resid 156 and name HG#
or resid 163 and name HB#
or resid 166 and name HD#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HG
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1118 and name HB#
) 3.5 3.5 0.0 volume=1.233 peak=2681 ppm1=0.695 ppm2=1.851
assign ( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 97 and name HE1
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 3.5 3.5 0.0 volume=1.732 peak=2835 ppm1=0.436 ppm2=0.751
assign ( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
)
( resid 2 and name HE2#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 90 and name HN
or resid 132 and name HD2#
or resid 132 and name HN
or resid 134 and name HE2#
or resid 160 and name HN
or resid 162 and name HE2#
or resid 162 and name HN
or resid 165 and name HN
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
) 5.0 5.0 0.0 volume=0.720 peak=3872 ppm1=0.446 ppm2=7.508
assign ( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 104 and name HN
or resid 110 and name HZ
or resid 122 and name HN
or resid 1085 and name HN
or resid 1093 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
or resid 1103 and name HN
) 3.5 3.5 0.0 volume=1.262 peak=3871 ppm1=0.446 ppm2=7.300
assign ( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 59 and name HB#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 63 and name HB#
or resid 94 and name HB#
or resid 107 and name HB#
or resid 129 and name HB#
or resid 129 and name HG
or resid 135 and name HB#
or resid 137 and name HB
or resid 144 and name HB#
or resid 147 and name HG#
or resid 150 and name HB#
or resid 182 and name HB#
or resid 183 and name HB#
or resid 1082 and name HB#
or resid 1099 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1106 and name HG
or resid 1112 and name HB
or resid 1114 and name HB#
) 3.5 3.5 0.0 volume=1.294 peak=3874 ppm1=0.441 ppm2=1.905
assign ( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
)
( resid 27 and name HD#
or resid 27 and name HD#
or resid 53 and name HG
or resid 55 and name HB#
or resid 55 and name HB#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 61 and name HB#
or resid 126 and name HG1#
or resid 131 and name HG#
or resid 144 and name HG#
or resid 145 and name HB#
or resid 177 and name HB#
or resid 183 and name HG#
or resid 183 and name HG#
or resid 1078 and name HB#
or resid 1085 and name HB
or resid 1106 and name HB#
) 5.0 5.0 0.0 volume=0.785 peak=3875 ppm1=0.434 ppm2=1.576
assign ( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HG1#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 3.5 3.5 0.0 volume=3.526 peak=3757 ppm1=0.434 ppm2=0.930
assign ( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 34 and name HD#
or resid 34 and name HD#
or resid 40 and name HB#
or resid 40 and name HB#
or resid 64 and name HB#
or resid 70 and name HA
or resid 98 and name HA
or resid 104 and name HB#
or resid 105 and name HB#
or resid 126 and name HA
or resid 152 and name HA
or resid 1083 and name HB#
or resid 1088 and name HA#
or resid 1094 and name HA#
or resid 1100 and name HD#
) 3.5 3.5 0.0 volume=2.879 peak=3876 ppm1=0.435 ppm2=3.569
assign ( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
)
( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 74 and name HE2#
or resid 153 and name HN
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1103 and name HD1
or resid 1103 and name HZ2
or resid 1108 and name HE2#
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=1.131 peak=2830 ppm1=0.430 ppm2=6.919
assign ( resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=1.017 peak=3542 ppm1=0.863 ppm2=3.959
assign ( resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
)
( resid 21 and name HA
or resid 24 and name HA
or resid 92 and name HB#
) 5.0 5.0 0.0 volume=0.481 peak=3543 ppm1=0.863 ppm2=3.400
assign ( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
)
( resid 68 and name HD#
or resid 68 and name HD#
or resid 78 and name HB#
or resid 78 and name HB#
or resid 97 and name HB#
or resid 104 and name HB#
or resid 105 and name HB#
or resid 107 and name HE#
or resid 107 and name HE#
or resid 110 and name HB#
or resid 128 and name HE#
or resid 128 and name HE#
or resid 131 and name HE#
or resid 131 and name HE#
or resid 133 and name HE#
or resid 133 and name HE#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 144 and name HE#
or resid 144 and name HE#
or resid 151 and name HA
or resid 168 and name HA
or resid 183 and name HE#
or resid 183 and name HE#
or resid 184 and name HE#
or resid 184 and name HE#
or resid 1086 and name HB#
or resid 1096 and name HB#
or resid 1100 and name HD#
or resid 1114 and name HE#
or resid 1114 and name HE#
or resid 1118 and name HE#
or resid 1118 and name HE#
) 5.0 5.0 0.0 volume=0.489 peak=3329 ppm1=1.061 ppm2=3.031
assign ( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
)
( resid 4 and name HB
or resid 4 and name HG1#
or resid 10 and name HA#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 21 and name HB
or resid 66 and name HB#
or resid 94 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 128 and name HD#
or resid 128 and name HG#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 152 and name HB
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1077 and name HB#
or resid 1082 and name HB#
or resid 1095 and name HB#
or resid 1105 and name HG#
or resid 1105 and name HG#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
) 3.5 3.5 0.0 volume=2.735 peak=3964 ppm1=1.056 ppm2=1.737
assign ( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
)
( resid 8 and name HB
or resid 19 and name HB#
or resid 38 and name HB#
or resid 38 and name HB#
or resid 49 and name HG#
or resid 57 and name HB#
or resid 62 and name HG#
or resid 62 and name HG#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 80 and name HB
or resid 93 and name HB
or resid 95 and name HG#
or resid 96 and name HE#
or resid 109 and name HB#
or resid 140 and name HG#
or resid 140 and name HG#
or resid 169 and name HB#
or resid 178 and name HG#
or resid 178 and name HG#
or resid 180 and name HB#
or resid 181 and name HG#
or resid 181 and name HG#
or resid 182 and name HB#
or resid 1092 and name HB
or resid 1101 and name HG#
or resid 1101 and name HG#
or resid 1117 and name HG#
or resid 1117 and name HG#
) 3.5 3.5 0.0 volume=1.994 peak=2916 ppm1=1.050 ppm2=2.356
assign ( resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 3.5 3.5 0.0 volume=1.431 peak=3311 ppm1=0.708 ppm2=1.266
assign ( resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 7 and name HB
or resid 29 and name HB#
or resid 44 and name HB
or resid 46 and name HB
or resid 66 and name HB#
or resid 68 and name HB#
or resid 145 and name HB#
or resid 149 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HB#
) 5.0 5.0 0.0 volume=0.929 peak=3313 ppm1=0.711 ppm2=1.815
assign ( resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
)
( resid 1 and name HG#
or resid 1 and name HG#
or resid 23 and name HB#
or resid 39 and name HB#
or resid 42 and name HB
or resid 51 and name HB#
or resid 81 and name HB#
or resid 85 and name HB
or resid 100 and name HG#
or resid 100 and name HG#
or resid 121 and name HB#
or resid 170 and name HB#
or resid 171 and name HG#
or resid 1086 and name HB#
or resid 1099 and name HG#
or resid 1102 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=0.495 peak=3309 ppm1=0.704 ppm2=2.513
assign ( resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 106 and name HB#
or resid 123 and name HB#
or resid 126 and name HB
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 3.5 3.5 0.0 volume=2.995 peak=3310 ppm1=0.707 ppm2=2.029
assign ( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
)
( resid 26 and name HA
or resid 37 and name HA
or resid 46 and name HA
or resid 56 and name HA
or resid 109 and name HA
or resid 138 and name HA
or resid 178 and name HA
or resid 181 and name HA
or resid 1088 and name HA#
) 5.0 5.0 0.0 volume=0.535 peak=3080 ppm1=1.058 ppm2=4.646
assign ( resid 127 and name HA
or resid 131 and name HA
or resid 147 and name HA
)
( resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 135 and name HB#
or resid 147 and name HG#
or resid 163 and name HB#
or resid 1075 and name HG1#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1107 and name HB#
) 3.5 3.5 0.0 volume=2.096 peak=3508 ppm1=4.197 ppm2=1.653
assign ( resid 21 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 171 and name HB#
or resid 171 and name HB#
or resid 177 and name HG
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
) 3.5 3.5 0.0 volume=-1.299 peak=3977 ppm1=1.142 ppm2=1.773
assign ( resid 21 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 18 and name HB#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 107 and name HB#
or resid 112 and name HG
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1095 and name HG#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=-0.762 peak=2947 ppm1=1.142 ppm2=2.116
assign ( resid 21 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
)
( resid 10 and name HA#
or resid 19 and name HA
or resid 20 and name HA
or resid 52 and name HB
or resid 63 and name HA
or resid 66 and name HA
or resid 71 and name HB#
or resid 83 and name HB#
or resid 83 and name HB#
or resid 116 and name HA
or resid 124 and name HB#
or resid 140 and name HA
or resid 141 and name HB
or resid 158 and name HB#
or resid 158 and name HB#
or resid 166 and name HA
or resid 171 and name HA
or resid 175 and name HA
or resid 1084 and name HA
or resid 1102 and name HA
) 5.0 5.0 0.0 volume=-0.720 peak=2941 ppm1=1.142 ppm2=4.083
assign ( resid 21 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
)
( resid 17 and name HA
or resid 23 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 129 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 184 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=-1.181 peak=2940 ppm1=1.155 ppm2=4.216
assign ( resid 21 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
)
( resid 20 and name HN
or resid 23 and name HN
or resid 26 and name HN
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 59 and name HN
or resid 85 and name HN
or resid 97 and name HZ2
or resid 103 and name HN
or resid 150 and name HN
or resid 1111 and name HD2#
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=-0.631 peak=2609 ppm1=1.146 ppm2=7.691
assign ( resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 63 and name HB#
or resid 70 and name HG
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 126 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 160 and name HB#
or resid 165 and name HB#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1112 and name HG1#
) 3.5 3.5 0.0 volume=-1.437 peak=2905 ppm1=0.775 ppm2=1.217
assign ( resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
)
( resid 9 and name HB
or resid 31 and name HB#
or resid 45 and name HB#
or resid 45 and name HB#
or resid 106 and name HB#
or resid 107 and name HB#
or resid 126 and name HB
or resid 131 and name HB#
or resid 143 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 179 and name HB#
or resid 180 and name HB#
or resid 181 and name HB#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1116 and name HB#
or resid 1117 and name HB#
) 3.5 3.5 0.0 volume=-1.638 peak=2939 ppm1=0.788 ppm2=1.997
assign ( resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
)
( resid 4 and name HG1#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 3.5 3.5 0.0 volume=-1.241 peak=2937 ppm1=0.767 ppm2=1.089
assign ( resid 98 and name HB
)
( resid 19 and name HN
or resid 28 and name HN
or resid 39 and name HN
or resid 83 and name HN
or resid 91 and name HN
or resid 92 and name HN
or resid 96 and name HN
or resid 129 and name HN
or resid 133 and name HN
or resid 134 and name HN
or resid 174 and name HN
or resid 1110 and name HN
) 3.5 3.5 0.0 volume=-1.543 peak=3018 ppm1=2.172 ppm2=8.187
assign ( resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
)
( resid 28 and name HN
or resid 39 and name HN
or resid 83 and name HN
or resid 91 and name HN
or resid 92 and name HN
or resid 96 and name HN
or resid 129 and name HN
or resid 131 and name HN
or resid 133 and name HN
or resid 134 and name HN
or resid 174 and name HN
) 5.0 5.0 0.0 volume=-1.170 peak=3012 ppm1=2.079 ppm2=8.171
assign ( resid 62 and name HG#
or resid 62 and name HG#
or resid 95 and name HG#
or resid 178 and name HG#
or resid 178 and name HG#
)
( resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=-0.450 peak=2856 ppm1=2.349 ppm2=0.788
assign ( resid 62 and name HG#
or resid 62 and name HG#
or resid 95 and name HG#
or resid 178 and name HG#
or resid 178 and name HG#
)
( resid 26 and name HA
or resid 37 and name HA
or resid 46 and name HA
or resid 56 and name HA
or resid 109 and name HA
or resid 138 and name HA
or resid 178 and name HA
or resid 181 and name HA
or resid 1088 and name HA#
) 5.0 5.0 0.0 volume=-0.983 peak=3384 ppm1=2.336 ppm2=4.642
assign ( resid 107 and name HE#
or resid 107 and name HE#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 184 and name HE#
or resid 184 and name HE#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=-0.734 peak=3494 ppm1=3.045 ppm2=0.874
assign ( resid 67 and name HB#
)
( resid 66 and name HD#
or resid 66 and name HD#
or resid 72 and name HB#
or resid 72 and name HB#
or resid 103 and name HB#
or resid 103 and name HB#
or resid 147 and name HD#
or resid 1103 and name HB#
or resid 1105 and name HD#
or resid 1105 and name HD#
) 5.0 5.0 0.0 volume=-1.131 peak=3398 ppm1=1.654 ppm2=3.272
assign ( resid 66 and name HD#
or resid 66 and name HD#
or resid 147 and name HD#
)
( resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 135 and name HB#
or resid 147 and name HG#
or resid 163 and name HB#
or resid 1075 and name HG1#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1107 and name HB#
) 3.5 3.5 0.0 volume=-5.282 peak=3356 ppm1=3.255 ppm2=1.656
assign ( resid 66 and name HD#
or resid 66 and name HD#
or resid 147 and name HD#
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 55 and name HG
or resid 63 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 137 and name HB
or resid 145 and name HB#
or resid 156 and name HG#
or resid 166 and name HD#
or resid 174 and name HG
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1114 and name HB#
or resid 1118 and name HB#
) 3.5 3.5 0.0 volume=-1.810 peak=3359 ppm1=3.255 ppm2=1.870
assign ( resid 179 and name HD#
or resid 180 and name HD#
)
( resid 8 and name HB
or resid 19 and name HB#
or resid 38 and name HB#
or resid 38 and name HB#
or resid 49 and name HG#
or resid 62 and name HG#
or resid 62 and name HG#
or resid 73 and name HB#
or resid 73 and name HB#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 80 and name HB
or resid 93 and name HB
or resid 95 and name HG#
or resid 96 and name HE#
or resid 109 and name HB#
or resid 127 and name HG#
or resid 140 and name HG#
or resid 178 and name HG#
or resid 178 and name HG#
or resid 180 and name HB#
or resid 181 and name HG#
or resid 181 and name HG#
or resid 182 and name HB#
or resid 1101 and name HG#
or resid 1101 and name HG#
or resid 1117 and name HG#
or resid 1117 and name HG#
) 3.5 3.5 0.0 volume=-1.692 peak=3373 ppm1=3.740 ppm2=2.373
assign ( resid 182 and name HD#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 33 and name HB
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 139 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1099 and name HB#
) 2.8 2.8 0.0 volume=-5.867 peak=3369 ppm1=3.740 ppm2=2.073
assign ( resid 182 and name HD#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 33 and name HB
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 139 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1099 and name HB#
) 3.5 3.5 0.0 volume=-4.358 peak=3370 ppm1=3.898 ppm2=2.073
assign ( resid 182 and name HD#
)
( resid 8 and name HB
or resid 19 and name HB#
or resid 38 and name HB#
or resid 38 and name HB#
or resid 49 and name HG#
or resid 62 and name HG#
or resid 62 and name HG#
or resid 73 and name HB#
or resid 73 and name HB#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 80 and name HB
or resid 93 and name HB
or resid 95 and name HG#
or resid 96 and name HE#
or resid 109 and name HB#
or resid 127 and name HG#
or resid 140 and name HG#
or resid 178 and name HG#
or resid 178 and name HG#
or resid 180 and name HB#
or resid 181 and name HG#
or resid 181 and name HG#
or resid 182 and name HB#
or resid 1101 and name HG#
or resid 1101 and name HG#
or resid 1117 and name HG#
or resid 1117 and name HG#
) 5.0 5.0 0.0 volume=-0.967 peak=3374 ppm1=3.898 ppm2=2.373
assign ( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 63 and name HB#
or resid 70 and name HG
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HB#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1112 and name HG1#
) 3.5 3.5 0.0 volume=2.672 peak=3873 ppm1=0.437 ppm2=1.184
assign ( resid 129 and name HA
or resid 145 and name HA
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 87 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
) 5.0 5.0 0.0 volume=1.005 peak=3135 ppm1=4.172 ppm2=2.080
assign ( resid 127 and name HA
or resid 131 and name HA
or resid 147 and name HA
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 106 and name HB#
or resid 123 and name HB#
or resid 126 and name HB
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 3.5 3.5 0.0 volume=2.512 peak=2585 ppm1=4.198 ppm2=2.029
assign ( resid 4 and name HD1#
)
( resid 4 and name HB
or resid 10 and name HA#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 21 and name HB
or resid 66 and name HB#
or resid 94 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 128 and name HD#
or resid 128 and name HD#
or resid 128 and name HG#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 144 and name HD#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 152 and name HB
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HB#
or resid 1077 and name HB#
or resid 1082 and name HB#
or resid 1095 and name HB#
or resid 1105 and name HG#
or resid 1105 and name HG#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
) 3.5 3.5 0.0 volume=1.741 peak=3968 ppm1=0.704 ppm2=1.741
assign ( resid 4 and name HG1#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 97 and name HE1
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=-0.981 peak=3972 ppm1=1.056 ppm2=0.733
assign ( resid 7 and name HG#
)
( resid 7 and name HB
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 145 and name HB#
or resid 156 and name HG#
or resid 163 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.856 peak=2080 ppm1=1.321 ppm2=1.830
assign ( resid 7 and name HG#
)
( resid 8 and name HN
or resid 15 and name HN
or resid 45 and name HN
or resid 48 and name HN
or resid 76 and name HN
or resid 140 and name HN
or resid 1082 and name HN
or resid 1088 and name HN
) 5.0 5.0 0.0 volume=0.439 peak=3461 ppm1=1.313 ppm2=8.623
assign ( resid 13 and name HB#
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 101 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.561 peak=3961 ppm1=1.343 ppm2=1.049
assign ( resid 13 and name HB#
)
( resid 10 and name HA#
or resid 19 and name HA
or resid 20 and name HA
or resid 52 and name HB
or resid 63 and name HA
or resid 66 and name HA
or resid 71 and name HB#
or resid 83 and name HB#
or resid 83 and name HB#
or resid 116 and name HA
or resid 124 and name HB#
or resid 140 and name HA
or resid 141 and name HB
or resid 158 and name HB#
or resid 158 and name HB#
or resid 166 and name HA
or resid 171 and name HA
or resid 175 and name HA
or resid 1084 and name HA
or resid 1102 and name HA
) 5.0 5.0 0.0 volume=0.439 peak=3960 ppm1=1.344 ppm2=4.085
assign ( resid 13 and name HB#
)
( resid 1078 and name HD#
) 5.0 5.0 0.0 volume=0.616 peak=3959 ppm1=1.339 ppm2=3.460
assign ( resid 19 and name HD#
)
( resid 24 and name HN
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 77 and name HN
or resid 85 and name HN
or resid 97 and name HZ2
or resid 103 and name HN
or resid 141 and name HN
or resid 1111 and name HD2#
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=-0.393 peak=3247 ppm1=0.853 ppm2=7.662
assign ( resid 19 and name HD#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 3.5 3.5 0.0 volume=-2.962 peak=3952 ppm1=0.853 ppm2=1.302
assign ( resid 19 and name HD#
)
( resid 20 and name HG
or resid 49 and name HB#
or resid 49 and name HG#
or resid 74 and name HG#
or resid 81 and name HB#
or resid 91 and name HB#
or resid 95 and name HG#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 123 and name HG#
or resid 123 and name HG#
or resid 150 and name HB#
or resid 162 and name HB#
or resid 1082 and name HG#
or resid 1090 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 5.0 5.0 0.0 volume=-0.415 peak=3949 ppm1=0.853 ppm2=2.244
assign ( resid 19 and name HD#
)
( resid 34 and name HB#
or resid 73 and name HB#
or resid 73 and name HB#
or resid 80 and name HB
or resid 91 and name HG#
or resid 91 and name HG#
or resid 123 and name HB#
or resid 127 and name HG#
or resid 134 and name HG#
or resid 134 and name HG#
or resid 140 and name HG#
or resid 143 and name HG#
or resid 179 and name HB#
or resid 1101 and name HG#
or resid 1117 and name HG#
or resid 1117 and name HG#
) 5.0 5.0 0.0 volume=-0.548 peak=3948 ppm1=0.840 ppm2=2.416
assign ( resid 19 and name HD#
)
( resid 23 and name HD#
or resid 23 and name HD#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 92 and name HD2#
or resid 154 and name HE#
or resid 154 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
) 3.5 3.5 0.0 volume=-1.221 peak=3076 ppm1=0.853 ppm2=6.786
assign ( resid 19 and name HG
)
( resid 23 and name HD#
or resid 23 and name HD#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 92 and name HD2#
or resid 154 and name HE#
or resid 154 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
) 5.0 5.0 0.0 volume=-0.570 peak=2925 ppm1=2.048 ppm2=6.783
assign ( resid 21 and name HD1#
)
( resid 20 and name HN
or resid 23 and name HN
or resid 25 and name HN
or resid 26 and name HN
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 59 and name HN
or resid 85 and name HN
or resid 97 and name HZ2
or resid 150 and name HN
or resid 178 and name HN
or resid 1111 and name HD2#
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=0.390 peak=3930 ppm1=0.053 ppm2=7.700
assign ( resid 21 and name HD1#
)
( resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 3.5 3.5 0.0 volume=1.266 peak=3937 ppm1=0.059 ppm2=1.261
assign ( resid 21 and name HG2#
)
( resid 10 and name HA#
or resid 19 and name HA
or resid 20 and name HA
or resid 52 and name HB
or resid 63 and name HA
or resid 66 and name HA
or resid 71 and name HB#
or resid 83 and name HB#
or resid 83 and name HB#
or resid 116 and name HA
or resid 124 and name HB#
or resid 140 and name HA
or resid 141 and name HB
or resid 158 and name HB#
or resid 158 and name HB#
or resid 166 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1084 and name HA
or resid 1102 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=0.696 peak=3940 ppm1=0.617 ppm2=4.075
assign ( resid 21 and name HG2#
)
( resid 20 and name HN
or resid 23 and name HN
or resid 25 and name HN
or resid 26 and name HN
or resid 59 and name HN
or resid 95 and name HN
or resid 97 and name HZ2
or resid 117 and name HN
or resid 150 and name HN
or resid 178 and name HN
or resid 1108 and name HN
) 5.0 5.0 0.0 volume=0.503 peak=3939 ppm1=0.615 ppm2=7.718
assign ( resid 23 and name HA
)
( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 26 and name HD2#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 74 and name HE2#
or resid 134 and name HE2#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1103 and name HD1
or resid 1103 and name HZ2
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=0.574 peak=3119 ppm1=4.234 ppm2=6.909
assign ( resid 24 and name HB
)
( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 26 and name HD2#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 74 and name HE2#
or resid 134 and name HE2#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1103 and name HD1
or resid 1103 and name HZ2
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=0.448 peak=3927 ppm1=3.864 ppm2=6.909
assign ( resid 24 and name HG2#
)
( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 26 and name HD2#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 74 and name HE2#
or resid 134 and name HE2#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1103 and name HD1
or resid 1103 and name HZ2
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=-0.660 peak=2923 ppm1=1.182 ppm2=6.912
assign ( resid 25 and name HB
)
( resid 10 and name HA#
or resid 19 and name HA
or resid 20 and name HA
or resid 52 and name HB
or resid 63 and name HA
or resid 66 and name HA
or resid 83 and name HB#
or resid 83 and name HB#
or resid 116 and name HA
or resid 124 and name HB#
or resid 140 and name HA
or resid 141 and name HB
or resid 166 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1084 and name HA
or resid 1102 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=0.639 peak=3915 ppm1=3.888 ppm2=4.071
assign ( resid 25 and name HG2#
)
( resid 26 and name HB#
or resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 82 and name HB#
or resid 92 and name HB#
or resid 110 and name HB#
or resid 121 and name HB#
or resid 148 and name HB#
or resid 153 and name HE#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.421 peak=3920 ppm1=0.131 ppm2=2.922
assign ( resid 25 and name HG2#
)
( resid 21 and name HG2#
or resid 21 and name HG2#
or resid 21 and name HG2#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 96 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
) 5.0 5.0 0.0 volume=0.802 peak=3922 ppm1=0.134 ppm2=0.630
assign ( resid 25 and name HG2#
)
( resid 10 and name HA#
or resid 19 and name HA
or resid 20 and name HA
or resid 52 and name HB
or resid 63 and name HA
or resid 66 and name HA
or resid 83 and name HB#
or resid 83 and name HB#
or resid 116 and name HA
or resid 124 and name HB#
or resid 140 and name HA
or resid 141 and name HB
or resid 166 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1084 and name HA
or resid 1102 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=1.125 peak=3919 ppm1=0.136 ppm2=4.071
assign ( resid 25 and name HG2#
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 63 and name HB#
or resid 70 and name HG
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 126 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 160 and name HB#
or resid 165 and name HB#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1112 and name HG1#
) 5.0 5.0 0.0 volume=0.776 peak=3921 ppm1=0.134 ppm2=1.218
assign ( resid 25 and name HG2#
)
( resid 2 and name HE2#
or resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 26 and name HD2#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 74 and name HE2#
or resid 134 and name HE2#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1103 and name HD1
or resid 1103 and name HZ2
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=0.883 peak=3916 ppm1=0.140 ppm2=6.899
assign ( resid 27 and name HA
)
( resid 27 and name HD#
or resid 27 and name HD#
or resid 53 and name HG
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 112 and name HB#
or resid 144 and name HG#
or resid 145 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 177 and name HB#
or resid 183 and name HG#
or resid 183 and name HG#
or resid 1078 and name HB#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HG1#
) 5.0 5.0 0.0 volume=-1.008 peak=3896 ppm1=4.475 ppm2=1.559
assign ( resid 27 and name HG#
)
( resid 27 and name HB#
or resid 27 and name HD#
or resid 27 and name HD#
or resid 53 and name HG
or resid 111 and name HB#
or resid 112 and name HB#
or resid 144 and name HG#
or resid 145 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 177 and name HB#
or resid 183 and name HG#
or resid 183 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HG1#
) 3.5 3.5 0.0 volume=-2.565 peak=3902 ppm1=1.224 ppm2=1.545
assign ( resid 31 and name HB#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=-0.539 peak=2783 ppm1=1.890 ppm2=0.878
assign ( resid 31 and name HG#
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 137 and name HG1#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 3.5 3.5 0.0 volume=-1.458 peak=2908 ppm1=2.166 ppm2=0.917
assign ( resid 33 and name HB
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 160 and name HG
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 3.5 3.5 0.0 volume=-1.512 peak=3884 ppm1=2.035 ppm2=0.960
assign ( resid 36 and name HG#
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.831 peak=3869 ppm1=0.618 ppm2=1.146
assign ( resid 40 and name HD#
)
( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1083 and name HD2
) 5.0 5.0 0.0 volume=0.525 peak=2998 ppm1=6.698 ppm2=7.030
assign ( resid 40 and name HD#
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.646 peak=3201 ppm1=6.706 ppm2=1.148
assign ( resid 41 and name HB#
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 55 and name HG
or resid 59 and name HB#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 63 and name HB#
or resid 120 and name HB#
or resid 129 and name HB#
or resid 129 and name HG
or resid 137 and name HB
or resid 147 and name HG#
or resid 156 and name HG#
or resid 166 and name HD#
or resid 183 and name HB#
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1082 and name HB#
or resid 1099 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HB#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.844 peak=2107 ppm1=1.335 ppm2=1.885
assign ( resid 41 and name HB#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 177 and name HG
or resid 183 and name HB#
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
) 5.0 5.0 0.0 volume=0.861 peak=2067 ppm1=1.334 ppm2=1.788
assign ( resid 41 and name HB#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 62 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 112 and name HG
or resid 117 and name HB
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 156 and name HB#
or resid 156 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=0.481 peak=3862 ppm1=1.340 ppm2=2.047
assign ( resid 42 and name HG#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1095 and name HG#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=0.494 peak=3857 ppm1=0.950 ppm2=2.101
assign ( resid 42 and name HG#
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HB#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=1.112 peak=3853 ppm1=0.954 ppm2=1.242
assign ( resid 42 and name HG#
)
( resid 6 and name HA
or resid 41 and name HA
) 5.0 5.0 0.0 volume=0.403 peak=3851 ppm1=0.959 ppm2=5.674
assign ( resid 42 and name HG#
)
( resid 27 and name HD#
or resid 27 and name HD#
or resid 55 and name HB#
or resid 55 and name HB#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 61 and name HB#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 126 and name HG1#
or resid 131 and name HG#
or resid 144 and name HG#
or resid 1075 and name HB
or resid 1075 and name HG1#
or resid 1078 and name HB#
or resid 1085 and name HB
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1106 and name HB#
) 5.0 5.0 0.0 volume=-0.605 peak=3808 ppm1=1.063 ppm2=1.602
assign ( resid 42 and name HG#
)
( resid 65 and name HB#
or resid 65 and name HB#
or resid 118 and name HB#
or resid 118 and name HB#
or resid 148 and name HB#
or resid 162 and name HB#
or resid 167 and name HB#
or resid 167 and name HB#
or resid 169 and name HB#
or resid 170 and name HB#
or resid 1081 and name HB#
) 5.0 5.0 0.0 volume=-0.438 peak=3807 ppm1=1.063 ppm2=2.715
assign ( resid 42 and name HG#
)
( resid 26 and name HB#
or resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 92 and name HB#
or resid 110 and name HB#
or resid 121 and name HB#
or resid 153 and name HE#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=-0.487 peak=3806 ppm1=1.063 ppm2=2.929
assign ( resid 42 and name HG#
)
( resid 24 and name HB
or resid 25 and name HB
or resid 30 and name HB#
or resid 54 and name HA#
or resid 54 and name HA#
or resid 71 and name HB#
or resid 74 and name HA
or resid 117 and name HA
or resid 139 and name HD#
or resid 141 and name HA
or resid 150 and name HA
or resid 164 and name HA#
or resid 165 and name HA
or resid 172 and name HA
or resid 174 and name HA
or resid 182 and name HD#
or resid 1073 and name HA#
or resid 1074 and name HB#
or resid 1074 and name HB#
or resid 1091 and name HA
or resid 1115 and name HB#
or resid 1115 and name HB#
) 5.0 5.0 0.0 volume=-0.599 peak=3804 ppm1=1.063 ppm2=3.872
assign ( resid 43 and name HG2#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 139 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1099 and name HB#
) 5.0 5.0 0.0 volume=0.849 peak=3850 ppm1=1.145 ppm2=2.075
assign ( resid 43 and name HG2#
)
( resid 1 and name HG#
or resid 1 and name HG#
or resid 23 and name HB#
or resid 45 and name HG#
or resid 45 and name HG#
or resid 81 and name HB#
or resid 100 and name HG#
or resid 100 and name HG#
or resid 106 and name HB#
or resid 139 and name HB#
or resid 143 and name HG#
or resid 170 and name HB#
or resid 1086 and name HB#
or resid 1099 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=0.404 peak=3848 ppm1=1.145 ppm2=2.561
assign ( resid 44 and name HB
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 101 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=-0.758 peak=3838 ppm1=1.851 ppm2=1.045
assign ( resid 44 and name HG#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 120 and name HG#
or resid 120 and name HG#
or resid 128 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
or resid 1114 and name HG#
or resid 1114 and name HG#
or resid 1118 and name HG#
or resid 1118 and name HG#
) 5.0 5.0 0.0 volume=0.534 peak=3844 ppm1=0.864 ppm2=1.432
assign ( resid 44 and name HG#
)
( resid 5 and name HA
or resid 7 and name HA
or resid 49 and name HA
or resid 50 and name HA
or resid 64 and name HA
or resid 105 and name HA
or resid 115 and name HA
or resid 122 and name HA
or resid 132 and name HA
or resid 1078 and name HA
) 5.0 5.0 0.0 volume=0.411 peak=3978 ppm1=0.856 ppm2=5.069
assign ( resid 44 and name HG#
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1112 and name HG1#
) 5.0 5.0 0.0 volume=0.890 peak=3842 ppm1=0.854 ppm2=1.176
assign ( resid 44 and name HG#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1095 and name HG#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=0.665 peak=3843 ppm1=0.856 ppm2=2.100
assign ( resid 44 and name HG#
)
( resid 5 and name HA
or resid 7 and name HA
or resid 49 and name HA
or resid 50 and name HA
or resid 64 and name HA
or resid 105 and name HA
or resid 115 and name HA
or resid 122 and name HA
or resid 132 and name HA
or resid 1078 and name HA
or resid 1083 and name HA
) 3.5 3.5 0.0 volume=1.316 peak=2730 ppm1=0.856 ppm2=5.062
assign ( resid 45 and name HE#
)
( resid 5 and name HA
or resid 7 and name HA
or resid 32 and name HA
or resid 50 and name HA
or resid 64 and name HA
or resid 89 and name HA
or resid 115 and name HA
or resid 122 and name HA
or resid 1078 and name HA
) 5.0 5.0 0.0 volume=0.644 peak=2869 ppm1=1.933 ppm2=5.084
assign ( resid 45 and name HE#
)
( resid 29 and name HA
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 147 and name HA
or resid 159 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.511 peak=2819 ppm1=1.938 ppm2=4.254
assign ( resid 46 and name HD1#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 21 and name HG2#
or resid 21 and name HG2#
or resid 21 and name HG2#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 96 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
) 3.5 3.5 0.0 volume=3.095 peak=3829 ppm1=0.106 ppm2=0.634
assign ( resid 46 and name HD1#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 3.5 3.5 0.0 volume=2.134 peak=3833 ppm1=0.103 ppm2=0.815
assign ( resid 46 and name HG2#
)
( resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 135 and name HB#
or resid 147 and name HG#
or resid 163 and name HB#
or resid 1075 and name HG1#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1107 and name HB#
) 5.0 5.0 0.0 volume=0.687 peak=3246 ppm1=0.596 ppm2=1.653
assign ( resid 49 and name HA
)
( resid 20 and name HG
or resid 49 and name HG#
or resid 74 and name HG#
or resid 91 and name HB#
or resid 95 and name HG#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 123 and name HG#
or resid 123 and name HG#
or resid 150 and name HB#
or resid 162 and name HB#
or resid 1082 and name HG#
or resid 1090 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 5.0 5.0 0.0 volume=-0.748 peak=2870 ppm1=5.038 ppm2=2.248
assign ( resid 51 and name HE#
)
( resid 7 and name HB
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 145 and name HB#
or resid 156 and name HG#
or resid 163 and name HB#
or resid 166 and name HD#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=-0.513 peak=3204 ppm1=6.729 ppm2=1.834
assign ( resid 51 and name HE#
)
( resid 20 and name HG
or resid 49 and name HB#
or resid 49 and name HG#
or resid 74 and name HG#
or resid 81 and name HB#
or resid 91 and name HB#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 123 and name HG#
or resid 123 and name HG#
or resid 162 and name HB#
or resid 1082 and name HG#
or resid 1090 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 5.0 5.0 0.0 volume=-0.653 peak=3203 ppm1=6.722 ppm2=2.240
assign ( resid 53 and name HD#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 165 and name HG
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 177 and name HG
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=-1.155 peak=3825 ppm1=0.945 ppm2=1.776
assign ( resid 53 and name HD#
)
( resid 34 and name HB#
or resid 39 and name HB#
or resid 42 and name HB
or resid 91 and name HG#
or resid 91 and name HG#
or resid 123 and name HB#
or resid 134 and name HG#
or resid 134 and name HG#
or resid 157 and name HB#
or resid 1099 and name HG#
or resid 1102 and name HG#
) 5.0 5.0 0.0 volume=-0.442 peak=3823 ppm1=0.943 ppm2=2.462
assign ( resid 53 and name HD#
)
( resid 53 and name HN
or resid 54 and name HN
) 5.0 5.0 0.0 volume=-0.889 peak=3820 ppm1=0.943 ppm2=9.724
assign ( resid 55 and name HD#
)
( resid 20 and name HG
or resid 49 and name HB#
or resid 49 and name HG#
or resid 74 and name HG#
or resid 81 and name HB#
or resid 91 and name HB#
or resid 95 and name HG#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 123 and name HG#
or resid 123 and name HG#
or resid 162 and name HB#
or resid 1082 and name HG#
or resid 1090 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 5.0 5.0 0.0 volume=-0.422 peak=3988 ppm1=1.088 ppm2=2.242
assign ( resid 55 and name HD#
)
( resid 28 and name HE#
or resid 28 and name HE#
or resid 28 and name HE#
or resid 28 and name HE#
or resid 40 and name HD#
or resid 40 and name HD#
or resid 51 and name HE#
or resid 51 and name HE#
or resid 94 and name HN
or resid 169 and name HZ
) 5.0 5.0 0.0 volume=-0.519 peak=3992 ppm1=0.985 ppm2=6.698
assign ( resid 56 and name HD#
)
( resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HN
or resid 64 and name HN
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 121 and name HN
) 5.0 5.0 0.0 volume=0.410 peak=3186 ppm1=7.677 ppm2=7.205
assign ( resid 58 and name HG2#
)
( resid 24 and name HB
or resid 25 and name HB
or resid 50 and name HD#
or resid 50 and name HD#
or resid 54 and name HA#
or resid 54 and name HA#
or resid 69 and name HD#
or resid 69 and name HD#
or resid 71 and name HB#
or resid 74 and name HA
or resid 86 and name HB#
or resid 93 and name HA
or resid 102 and name HA
or resid 139 and name HD#
or resid 141 and name HA
or resid 143 and name HA
or resid 150 and name HA
or resid 172 and name HA
or resid 174 and name HA
or resid 1073 and name HA#
or resid 1091 and name HA
) 5.0 5.0 0.0 volume=0.460 peak=3813 ppm1=1.591 ppm2=3.842
assign ( resid 59 and name HB#
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
) 5.0 5.0 0.0 volume=0.396 peak=3810 ppm1=1.928 ppm2=1.082
assign ( resid 59 and name HB#
)
( resid 64 and name HB#
or resid 84 and name HB
or resid 122 and name HB#
or resid 153 and name HE#
or resid 1089 and name HB#
or resid 1089 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.443 peak=3097 ppm1=1.922 ppm2=2.801
assign ( resid 59 and name HB#
)
( resid 55 and name HB#
or resid 55 and name HB#
or resid 61 and name HB#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 126 and name HG1#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 131 and name HG#
or resid 144 and name HG#
or resid 147 and name HG#
or resid 163 and name HB#
or resid 1075 and name HB
or resid 1075 and name HG1#
or resid 1078 and name HB#
or resid 1085 and name HB
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
) 5.0 5.0 0.0 volume=0.409 peak=3098 ppm1=1.930 ppm2=1.619
assign ( resid 59 and name HB#
)
( resid 27 and name HN
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 64 and name HD#
or resid 64 and name HD#
or resid 121 and name HN
or resid 162 and name HE2#
or resid 1089 and name HZ
) 5.0 5.0 0.0 volume=0.995 peak=3087 ppm1=1.921 ppm2=7.167
assign ( resid 59 and name HB#
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 105 and name HB#
or resid 120 and name HA
or resid 126 and name HA
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=0.683 peak=3096 ppm1=1.920 ppm2=3.622
assign ( resid 61 and name HD#
)
( resid 55 and name HB#
or resid 55 and name HB#
or resid 61 and name HB#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 131 and name HG#
or resid 144 and name HG#
or resid 147 and name HG#
or resid 163 and name HB#
or resid 1075 and name HB
or resid 1075 and name HG1#
or resid 1085 and name HB
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1107 and name HB#
) 3.5 3.5 0.0 volume=1.939 peak=2130 ppm1=1.054 ppm2=1.637
assign ( resid 61 and name HD#
)
( resid 33 and name HN
or resid 63 and name HN
or resid 78 and name HN
or resid 148 and name HN
or resid 183 and name HN
or resid 1075 and name HN
or resid 1116 and name HN
) 5.0 5.0 0.0 volume=-0.559 peak=3085 ppm1=1.103 ppm2=8.496
assign ( resid 61 and name HD#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 33 and name HB
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 139 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1099 and name HB#
) 3.5 3.5 0.0 volume=-2.596 peak=3089 ppm1=1.103 ppm2=2.073
assign ( resid 64 and name HD#
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 101 and name HG1#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.437 peak=3171 ppm1=7.149 ppm2=1.062
assign ( resid 64 and name HD#
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 45 and name HE#
or resid 45 and name HE#
or resid 45 and name HE#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 63 and name HB#
or resid 94 and name HB#
or resid 107 and name HB#
or resid 129 and name HB#
or resid 129 and name HG
or resid 135 and name HB#
or resid 137 and name HB
or resid 140 and name HB#
or resid 144 and name HB#
or resid 147 and name HG#
or resid 149 and name HG
or resid 150 and name HB#
or resid 182 and name HB#
or resid 183 and name HB#
or resid 1099 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HB
or resid 1114 and name HB#
) 5.0 5.0 0.0 volume=0.738 peak=3169 ppm1=7.149 ppm2=1.920
assign ( resid 64 and name HE#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 110 and name HZ
or resid 120 and name HN
or resid 122 and name HN
or resid 167 and name HD2#
or resid 1085 and name HN
or resid 1093 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
) 5.0 5.0 0.0 volume=-0.739 peak=3166 ppm1=6.524 ppm2=7.318
assign ( resid 64 and name HE#
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 59 and name HB#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 63 and name HB#
or resid 94 and name HB#
or resid 107 and name HB#
or resid 129 and name HB#
or resid 129 and name HG
or resid 135 and name HB#
or resid 137 and name HB
or resid 144 and name HB#
or resid 147 and name HG#
or resid 150 and name HB#
or resid 182 and name HB#
or resid 183 and name HB#
or resid 1082 and name HB#
or resid 1099 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1106 and name HG
or resid 1112 and name HB
or resid 1114 and name HB#
) 5.0 5.0 0.0 volume=-0.473 peak=3167 ppm1=6.524 ppm2=1.905
assign ( resid 67 and name HB#
)
( resid 37 and name HN
or resid 64 and name HN
or resid 67 and name HN
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 104 and name HN
or resid 1103 and name HE3
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=-0.551 peak=2837 ppm1=1.622 ppm2=7.237
assign ( resid 67 and name HD#
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=-0.791 peak=3793 ppm1=0.578 ppm2=1.174
assign ( resid 67 and name HD#
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
or resid 1103 and name HZ3
) 5.0 5.0 0.0 volume=-0.461 peak=3787 ppm1=0.591 ppm2=6.055
assign ( resid 67 and name HD#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 64 and name HN
or resid 67 and name HN
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 104 and name HN
or resid 1085 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1103 and name HE3
or resid 1103 and name HN
) 3.5 3.5 0.0 volume=-2.302 peak=2840 ppm1=0.581 ppm2=7.264
assign ( resid 67 and name HD#
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 21 and name HG1#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=-0.724 peak=3785 ppm1=0.578 ppm2=1.162
assign ( resid 67 and name HD#
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 40 and name HB#
or resid 40 and name HB#
or resid 64 and name HB#
or resid 70 and name HA
or resid 98 and name HA
or resid 104 and name HB#
or resid 105 and name HB#
or resid 126 and name HA
or resid 152 and name HA
or resid 1083 and name HB#
or resid 1088 and name HA#
or resid 1094 and name HA#
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=-0.471 peak=3782 ppm1=0.578 ppm2=3.572
assign ( resid 67 and name HD#
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 104 and name HN
or resid 110 and name HZ
or resid 122 and name HN
or resid 1085 and name HN
or resid 1093 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HZ
or resid 1103 and name HN
) 3.5 3.5 0.0 volume=-1.396 peak=2836 ppm1=0.578 ppm2=7.297
assign ( resid 67 and name HD#
)
( resid 34 and name HB#
or resid 49 and name HG#
or resid 73 and name HB#
or resid 73 and name HB#
or resid 80 and name HB
or resid 91 and name HG#
or resid 91 and name HG#
or resid 127 and name HG#
or resid 140 and name HG#
or resid 143 and name HG#
or resid 179 and name HB#
or resid 1101 and name HG#
or resid 1117 and name HG#
or resid 1117 and name HG#
) 5.0 5.0 0.0 volume=-0.448 peak=3781 ppm1=0.578 ppm2=2.402
assign ( resid 67 and name HD#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 120 and name HG#
or resid 120 and name HG#
or resid 128 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
or resid 1114 and name HG#
or resid 1114 and name HG#
or resid 1118 and name HG#
or resid 1118 and name HG#
) 3.5 3.5 0.0 volume=-1.563 peak=3794 ppm1=0.591 ppm2=1.431
assign ( resid 67 and name HD#
)
( resid 21 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HG
or resid 128 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 145 and name HG
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 174 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 3.5 3.5 0.0 volume=-1.867 peak=3784 ppm1=0.578 ppm2=1.471
assign ( resid 70 and name HD#
)
( resid 4 and name HG1#
or resid 10 and name HA#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 94 and name HB#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 133 and name HD#
or resid 135 and name HB#
or resid 144 and name HD#
or resid 147 and name HG#
or resid 152 and name HB
or resid 163 and name HD#
or resid 163 and name HD#
or resid 177 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 5.0 5.0 0.0 volume=-0.785 peak=3763 ppm1=0.329 ppm2=1.688
assign ( resid 70 and name HD#
)
( resid 37 and name HN
or resid 64 and name HN
or resid 67 and name HN
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 104 and name HN
or resid 1103 and name HE3
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=-0.551 peak=3758 ppm1=0.329 ppm2=7.254
assign ( resid 72 and name HE#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 5.0 5.0 0.0 volume=-0.482 peak=3202 ppm1=6.549 ppm2=1.302
assign ( resid 75 and name HG2#
)
( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 154 and name HD#
or resid 154 and name HD#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1083 and name HD2
) 5.0 5.0 0.0 volume=0.449 peak=3121 ppm1=0.043 ppm2=7.042
assign ( resid 77 and name HG#
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 63 and name HB#
or resid 70 and name HG
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1112 and name HG1#
) 5.0 5.0 0.0 volume=0.861 peak=3742 ppm1=0.777 ppm2=1.179
assign ( resid 77 and name HG#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 79 and name HG
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 120 and name HG#
or resid 120 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
or resid 1118 and name HG#
or resid 1118 and name HG#
) 3.5 3.5 0.0 volume=2.694 peak=3741 ppm1=0.783 ppm2=1.404
assign ( resid 77 and name HG#
)
( resid 93 and name HN
or resid 102 and name HN
or resid 128 and name HN
or resid 163 and name HN
or resid 175 and name HN
or resid 1090 and name HN
or resid 1107 and name HN
) 5.0 5.0 0.0 volume=0.440 peak=3737 ppm1=0.786 ppm2=7.933
assign ( resid 77 and name HG#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 120 and name HG#
or resid 120 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
or resid 1114 and name HG#
or resid 1114 and name HG#
or resid 1118 and name HG#
or resid 1118 and name HG#
) 3.5 3.5 0.0 volume=2.669 peak=3736 ppm1=0.979 ppm2=1.421
assign ( resid 78 and name HD#
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 63 and name HB#
or resid 79 and name HB#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.494 peak=3190 ppm1=7.018 ppm2=1.131
assign ( resid 79 and name HD#
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 3.5 3.5 0.0 volume=-2.608 peak=500 ppm1=0.315 ppm2=1.174
assign ( resid 79 and name HD#
)
( resid 46 and name HG1#
or resid 79 and name HG
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
) 3.5 3.5 0.0 volume=-2.078 peak=3724 ppm1=0.315 ppm2=1.388
assign ( resid 80 and name HB
)
( resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=-0.455 peak=2969 ppm1=2.402 ppm2=1.259
assign ( resid 80 and name HG#
)
( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 154 and name HD#
or resid 154 and name HD#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1083 and name HD2
) 5.0 5.0 0.0 volume=0.975 peak=3716 ppm1=0.736 ppm2=7.041
assign ( resid 80 and name HG#
)
( resid 26 and name HB#
or resid 27 and name HE#
or resid 27 and name HE#
or resid 110 and name HB#
or resid 121 and name HB#
or resid 153 and name HE#
or resid 163 and name HE#
or resid 163 and name HE#
) 5.0 5.0 0.0 volume=0.754 peak=3718 ppm1=0.737 ppm2=2.945
assign ( resid 82 and name HD#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=0.686 peak=4002 ppm1=7.255 ppm2=1.299
assign ( resid 84 and name HG#
)
( resid 4 and name HG1#
or resid 10 and name HA#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 94 and name HB#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 133 and name HD#
or resid 135 and name HB#
or resid 144 and name HD#
or resid 147 and name HG#
or resid 152 and name HB
or resid 163 and name HD#
or resid 163 and name HD#
or resid 177 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 5.0 5.0 0.0 volume=0.638 peak=3711 ppm1=0.933 ppm2=1.690
assign ( resid 84 and name HG#
)
( resid 24 and name HB
or resid 25 and name HB
or resid 30 and name HB#
or resid 35 and name HA
or resid 54 and name HA#
or resid 54 and name HA#
or resid 74 and name HA
or resid 117 and name HA
or resid 139 and name HD#
or resid 141 and name HA
or resid 164 and name HA#
or resid 165 and name HA
or resid 174 and name HA
or resid 182 and name HD#
or resid 1074 and name HB#
or resid 1074 and name HB#
or resid 1079 and name HB#
or resid 1091 and name HA
or resid 1115 and name HB#
or resid 1115 and name HB#
) 5.0 5.0 0.0 volume=0.740 peak=3710 ppm1=0.932 ppm2=3.886
assign ( resid 84 and name HG#
)
( resid 69 and name HD#
or resid 69 and name HD#
or resid 86 and name HB#
or resid 93 and name HA
or resid 102 and name HA
or resid 114 and name HA#
or resid 143 and name HA
or resid 146 and name HA
or resid 179 and name HD#
or resid 1073 and name HA#
or resid 1092 and name HA
or resid 1098 and name HA#
) 5.0 5.0 0.0 volume=0.377 peak=3706 ppm1=1.038 ppm2=3.789
assign ( resid 85 and name HG#
)
( resid 8 and name HA
or resid 45 and name HA
or resid 58 and name HA
or resid 86 and name HA
) 5.0 5.0 0.0 volume=0.724 peak=3124 ppm1=0.763 ppm2=5.198
assign ( resid 85 and name HG#
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 59 and name HB#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 63 and name HB#
or resid 107 and name HB#
or resid 129 and name HB#
or resid 129 and name HG
or resid 137 and name HB
or resid 144 and name HB#
or resid 147 and name HG#
or resid 150 and name HB#
or resid 156 and name HG#
or resid 166 and name HD#
or resid 183 and name HB#
or resid 1082 and name HB#
or resid 1099 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.501 peak=3257 ppm1=0.754 ppm2=1.895
assign ( resid 85 and name HG#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1095 and name HG#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=0.593 peak=3256 ppm1=0.761 ppm2=2.099
assign ( resid 85 and name HG#
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 160 and name HG
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 3.5 3.5 0.0 volume=1.978 peak=3155 ppm1=0.757 ppm2=0.963
assign ( resid 85 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 3.5 3.5 0.0 volume=1.309 peak=3254 ppm1=0.758 ppm2=1.299
assign ( resid 90 and name HD#
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=0.391 peak=3192 ppm1=6.126 ppm2=3.960
assign ( resid 93 and name HG#
)
( resid 37 and name HN
or resid 64 and name HN
or resid 67 and name HN
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 104 and name HN
or resid 1103 and name HE3
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=0.514 peak=2975 ppm1=1.309 ppm2=7.248
assign ( resid 101 and name HD1#
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 3.5 3.5 0.0 volume=1.233 peak=3687 ppm1=-0.128 ppm2=0.969
assign ( resid 101 and name HD1#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=0.725 peak=3688 ppm1=-0.129 ppm2=1.297
assign ( resid 101 and name HG2#
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 160 and name HG
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 5.0 5.0 0.0 volume=0.652 peak=3695 ppm1=0.225 ppm2=0.964
assign ( resid 101 and name HG2#
)
( resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 3.5 3.5 0.0 volume=1.349 peak=3690 ppm1=0.214 ppm2=0.786
assign ( resid 101 and name HG2#
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 63 and name HB#
or resid 70 and name HG
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 126 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 160 and name HB#
or resid 165 and name HB#
or resid 1112 and name HG1#
) 5.0 5.0 0.0 volume=0.681 peak=3693 ppm1=0.221 ppm2=1.225
assign ( resid 110 and name HD#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 7 and name HB
or resid 19 and name HB#
or resid 29 and name HB#
or resid 44 and name HB
or resid 46 and name HB
or resid 66 and name HB#
or resid 68 and name HB#
or resid 109 and name HB#
or resid 145 and name HB#
or resid 149 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HB#
) 5.0 5.0 0.0 volume=0.396 peak=3189 ppm1=7.048 ppm2=1.814
assign ( resid 110 and name HD#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 97 and name HE1
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.431 peak=2991 ppm1=7.065 ppm2=0.709
assign ( resid 110 and name HD#
)
( resid 23 and name HD#
or resid 23 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HZ
or resid 92 and name HD2#
or resid 154 and name HE#
or resid 154 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 1081 and name HZ
) 5.0 5.0 0.0 volume=0.538 peak=3197 ppm1=7.060 ppm2=6.824
assign ( resid 111 and name HD#
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 3.5 3.5 0.0 volume=-4.831 peak=3648 ppm1=0.683 ppm2=1.002
assign ( resid 111 and name HD#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 171 and name HB#
or resid 171 and name HB#
or resid 177 and name HG
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
) 3.5 3.5 0.0 volume=-1.233 peak=3649 ppm1=0.683 ppm2=1.773
assign ( resid 111 and name HD#
)
( resid 38 and name HN
or resid 93 and name HN
or resid 163 and name HN
or resid 175 and name HN
or resid 176 and name HN
or resid 1105 and name HN
) 5.0 5.0 0.0 volume=-0.541 peak=3645 ppm1=0.683 ppm2=7.897
assign ( resid 111 and name HD#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 171 and name HB#
or resid 171 and name HB#
or resid 177 and name HG
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
) 3.5 3.5 0.0 volume=-1.962 peak=3654 ppm1=0.630 ppm2=1.773
assign ( resid 111 and name HD#
)
( resid 83 and name HN
or resid 89 and name HN
or resid 112 and name HN
or resid 131 and name HN
or resid 156 and name HN
or resid 161 and name HN
or resid 167 and name HN
or resid 171 and name HN
or resid 172 and name HN
or resid 184 and name HN
or resid 1081 and name HN
or resid 1099 and name HN
or resid 1104 and name HN
or resid 1112 and name HN
or resid 1118 and name HN
) 3.5 3.5 0.0 volume=-1.387 peak=2935 ppm1=0.630 ppm2=8.111
assign ( resid 112 and name HD#
)
( resid 8 and name HB
or resid 19 and name HB#
or resid 38 and name HB#
or resid 38 and name HB#
or resid 49 and name HG#
or resid 62 and name HG#
or resid 62 and name HG#
or resid 73 and name HB#
or resid 73 and name HB#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 80 and name HB
or resid 93 and name HB
or resid 95 and name HG#
or resid 96 and name HE#
or resid 109 and name HB#
or resid 127 and name HG#
or resid 140 and name HG#
or resid 178 and name HG#
or resid 178 and name HG#
or resid 180 and name HB#
or resid 182 and name HB#
or resid 1101 and name HG#
or resid 1117 and name HG#
or resid 1117 and name HG#
) 5.0 5.0 0.0 volume=-0.609 peak=61 ppm1=1.249 ppm2=2.375
assign ( resid 112 and name HD#
)
( resid 24 and name HB
or resid 50 and name HD#
or resid 50 and name HD#
or resid 54 and name HA#
or resid 54 and name HA#
or resid 69 and name HD#
or resid 69 and name HD#
or resid 71 and name HB#
or resid 74 and name HA
or resid 86 and name HB#
or resid 93 and name HA
or resid 102 and name HA
or resid 141 and name HA
or resid 143 and name HA
or resid 150 and name HA
or resid 172 and name HA
or resid 1073 and name HA#
or resid 1091 and name HA
) 5.0 5.0 0.0 volume=-0.755 peak=3639 ppm1=1.260 ppm2=3.829
assign ( resid 112 and name HD#
)
( resid 51 and name HD#
or resid 51 and name HD#
or resid 154 and name HD#
or resid 154 and name HD#
or resid 1095 and name HN
) 5.0 5.0 0.0 volume=-0.678 peak=3634 ppm1=1.260 ppm2=7.083
assign ( resid 112 and name HD#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 96 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 3.5 3.5 0.0 volume=-1.392 peak=3632 ppm1=1.116 ppm2=0.703
assign ( resid 112 and name HD#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
) 3.5 3.5 0.0 volume=-1.569 peak=3630 ppm1=1.116 ppm2=0.831
assign ( resid 112 and name HD#
)
( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 26 and name HD2#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 74 and name HE2#
or resid 134 and name HE2#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1103 and name HD1
or resid 1103 and name HZ2
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=-0.499 peak=3628 ppm1=1.116 ppm2=6.912
assign ( resid 112 and name HD#
)
( resid 51 and name HD#
or resid 51 and name HD#
or resid 154 and name HD#
or resid 154 and name HD#
or resid 1095 and name HN
) 5.0 5.0 0.0 volume=-0.735 peak=3627 ppm1=1.116 ppm2=7.083
assign ( resid 113 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=0.742 peak=3617 ppm1=0.488 ppm2=1.292
assign ( resid 113 and name HG#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 96 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
) 3.5 3.5 0.0 volume=2.692 peak=3616 ppm1=0.494 ppm2=0.699
assign ( resid 113 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 3.5 3.5 0.0 volume=1.796 peak=2030 ppm1=0.494 ppm2=0.869
assign ( resid 113 and name HG#
)
( resid 32 and name HN
or resid 40 and name HN
or resid 80 and name HN
or resid 107 and name HN
or resid 114 and name HN
or resid 118 and name HN
or resid 143 and name HN
or resid 152 and name HN
or resid 157 and name HN
or resid 1086 and name HN
) 5.0 5.0 0.0 volume=0.776 peak=3216 ppm1=0.499 ppm2=8.850
assign ( resid 113 and name HG#
)
( resid 32 and name HN
or resid 40 and name HN
or resid 80 and name HN
or resid 107 and name HN
or resid 114 and name HN
or resid 118 and name HN
or resid 143 and name HN
or resid 152 and name HN
or resid 157 and name HN
or resid 1086 and name HN
) 5.0 5.0 0.0 volume=0.490 peak=3619 ppm1=0.569 ppm2=8.845
assign ( resid 113 and name HG#
)
( resid 4 and name HG1#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.601 peak=3624 ppm1=0.566 ppm2=1.097
assign ( resid 113 and name HG#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 120 and name HG#
or resid 120 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
or resid 1114 and name HG#
or resid 1114 and name HG#
or resid 1118 and name HG#
or resid 1118 and name HG#
) 5.0 5.0 0.0 volume=0.644 peak=3623 ppm1=0.562 ppm2=1.414
assign ( resid 117 and name HD1#
)
( resid 40 and name HN
or resid 52 and name HN
or resid 84 and name HN
or resid 107 and name HN
or resid 114 and name HN
or resid 118 and name HN
or resid 152 and name HN
or resid 157 and name HN
or resid 1086 and name HN
) 5.0 5.0 0.0 volume=0.581 peak=3231 ppm1=0.594 ppm2=8.824
assign ( resid 117 and name HD1#
)
( resid 7 and name HB
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 145 and name HB#
or resid 156 and name HG#
or resid 163 and name HB#
or resid 166 and name HD#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HG
or resid 183 and name HB#
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.764 peak=2017 ppm1=0.594 ppm2=1.846
assign ( resid 117 and name HD1#
)
( resid 4 and name HG1#
or resid 10 and name HA#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 94 and name HB#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 133 and name HD#
or resid 135 and name HB#
or resid 144 and name HD#
or resid 147 and name HG#
or resid 152 and name HB
or resid 163 and name HD#
or resid 163 and name HD#
or resid 177 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1107 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 3.5 3.5 0.0 volume=1.395 peak=3607 ppm1=0.594 ppm2=1.687
assign ( resid 117 and name HD1#
)
( resid 93 and name HN
or resid 163 and name HN
or resid 175 and name HN
or resid 176 and name HN
or resid 1105 and name HN
) 5.0 5.0 0.0 volume=0.419 peak=3602 ppm1=0.594 ppm2=7.899
assign ( resid 117 and name HG2#
)
( resid 7 and name HB
or resid 31 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 95 and name HB#
or resid 120 and name HB#
or resid 137 and name HB
or resid 145 and name HB#
or resid 156 and name HG#
or resid 163 and name HB#
or resid 166 and name HD#
or resid 174 and name HG
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.708 peak=3612 ppm1=0.854 ppm2=1.864
assign ( resid 119 and name HD#
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 84 and name HB
or resid 90 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 122 and name HB#
or resid 153 and name HE#
or resid 154 and name HB#
or resid 154 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1089 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.691 peak=3233 ppm1=0.827 ppm2=2.846
assign ( resid 119 and name HD#
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 55 and name HG
or resid 63 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 137 and name HB
or resid 145 and name HB#
or resid 147 and name HG#
or resid 156 and name HG#
or resid 166 and name HD#
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HB#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=-0.929 peak=3599 ppm1=0.978 ppm2=1.872
assign ( resid 124 and name HB#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 18 and name HB#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 107 and name HB#
or resid 112 and name HG
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1095 and name HG#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=0.581 peak=2778 ppm1=4.030 ppm2=2.115
assign ( resid 125 and name HB
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
) 5.0 5.0 0.0 volume=0.693 peak=3563 ppm1=3.939 ppm2=2.079
assign ( resid 126 and name HD1#
)
( resid 110 and name HZ
or resid 120 and name HN
or resid 122 and name HN
or resid 167 and name HD2#
or resid 1085 and name HN
or resid 1093 and name HN
or resid 1096 and name HZ
) 5.0 5.0 0.0 volume=0.413 peak=3549 ppm1=0.845 ppm2=7.330
assign ( resid 126 and name HD1#
)
( resid 13 and name HA
or resid 36 and name HA
or resid 75 and name HB
or resid 120 and name HA
or resid 126 and name HA
or resid 169 and name HA
or resid 179 and name HD#
) 3.5 3.5 0.0 volume=1.873 peak=3552 ppm1=0.853 ppm2=3.648
assign ( resid 126 and name HG2#
)
( resid 114 and name HA#
or resid 136 and name HD#
or resid 136 and name HD#
or resid 146 and name HA
or resid 179 and name HD#
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1092 and name HA
or resid 1098 and name HA#
) 5.0 5.0 0.0 volume=0.589 peak=3240 ppm1=0.994 ppm2=3.773
assign ( resid 126 and name HG2#
)
( resid 61 and name HB#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 144 and name HG#
or resid 147 and name HG#
or resid 163 and name HB#
or resid 1075 and name HB
or resid 1075 and name HG1#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1107 and name HB#
) 3.5 3.5 0.0 volume=2.186 peak=3545 ppm1=0.994 ppm2=1.640
assign ( resid 126 and name HG2#
)
( resid 3 and name HN
or resid 30 and name HN
or resid 101 and name HN
or resid 103 and name HE1
or resid 110 and name HN
or resid 126 and name HN
or resid 127 and name HN
or resid 151 and name HN
or resid 155 and name HN
or resid 158 and name HN
or resid 181 and name HN
) 3.5 3.5 0.0 volume=2.006 peak=2772 ppm1=0.991 ppm2=8.305
assign ( resid 126 and name HG2#
)
( resid 17 and name HA
or resid 23 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 184 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 3.5 3.5 0.0 volume=1.371 peak=3007 ppm1=0.996 ppm2=4.222
assign ( resid 129 and name HD#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 139 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1099 and name HB#
) 3.5 3.5 0.0 volume=2.028 peak=3544 ppm1=0.865 ppm2=2.075
assign ( resid 129 and name HD#
)
( resid 17 and name HB
or resid 31 and name HA
or resid 59 and name HA
or resid 85 and name HA
or resid 106 and name HA
or resid 118 and name HA
or resid 136 and name HA
or resid 161 and name HB
or resid 180 and name HA
or resid 1074 and name HA
or resid 1076 and name HA
or resid 1077 and name HA
or resid 1095 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=-0.709 peak=3530 ppm1=0.735 ppm2=4.514
assign ( resid 129 and name HD#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 3.5 3.5 0.0 volume=-1.519 peak=3535 ppm1=0.734 ppm2=1.304
assign ( resid 129 and name HD#
)
( resid 4 and name HB
or resid 4 and name HG1#
or resid 10 and name HA#
or resid 21 and name HB
or resid 94 and name HB#
or resid 128 and name HD#
or resid 128 and name HG#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 152 and name HB
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1077 and name HB#
or resid 1082 and name HB#
or resid 1095 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 5.0 5.0 0.0 volume=-1.120 peak=3536 ppm1=0.738 ppm2=1.722
assign ( resid 129 and name HD#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1095 and name HG#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=-0.907 peak=3538 ppm1=0.731 ppm2=2.096
assign ( resid 130 and name HA
)
( resid 39 and name HN
or resid 83 and name HN
or resid 91 and name HN
or resid 92 and name HN
or resid 96 and name HN
or resid 131 and name HN
or resid 133 and name HN
or resid 134 and name HN
or resid 174 and name HN
) 3.5 3.5 0.0 volume=-1.258 peak=3517 ppm1=4.344 ppm2=8.166
assign ( resid 130 and name HB#
)
( resid 9 and name HB
or resid 31 and name HB#
or resid 106 and name HB#
or resid 107 and name HB#
or resid 126 and name HB
or resid 131 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 179 and name HB#
or resid 180 and name HB#
or resid 181 and name HB#
or resid 1099 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1112 and name HB
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=0.906 peak=3523 ppm1=1.655 ppm2=1.987
assign ( resid 130 and name HB#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1095 and name HG#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=0.772 peak=3524 ppm1=1.652 ppm2=2.099
assign ( resid 132 and name HB#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 33 and name HB
or resid 39 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 139 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1101 and name HB#
) 5.0 5.0 0.0 volume=-0.445 peak=2749 ppm1=3.097 ppm2=2.069
assign ( resid 137 and name HD1#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 18 and name HB#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 107 and name HB#
or resid 112 and name HG
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 1087 and name HB
or resid 1095 and name HG#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=1.053 peak=3486 ppm1=0.536 ppm2=2.119
assign ( resid 137 and name HD1#
)
( resid 2 and name HE2#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HZ
or resid 154 and name HE#
or resid 154 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 1081 and name HZ
) 5.0 5.0 0.0 volume=0.630 peak=3477 ppm1=0.536 ppm2=6.839
assign ( resid 137 and name HD1#
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 133 and name HA
or resid 137 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1110 and name HB#
) 3.5 3.5 0.0 volume=1.938 peak=3480 ppm1=0.536 ppm2=3.988
assign ( resid 137 and name HG2#
)
( resid 24 and name HN
or resid 74 and name HE2#
or resid 77 and name HN
or resid 103 and name HN
or resid 141 and name HN
or resid 142 and name HN
or resid 1106 and name HN
or resid 1111 and name HD2#
) 5.0 5.0 0.0 volume=0.660 peak=3466 ppm1=0.320 ppm2=7.634
assign ( resid 137 and name HG2#
)
( resid 2 and name HE2#
or resid 26 and name HD2#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HZ
or resid 134 and name HE2#
or resid 1081 and name HZ
) 5.0 5.0 0.0 volume=0.410 peak=3470 ppm1=0.321 ppm2=6.849
assign ( resid 138 and name HG2#
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 133 and name HA
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
) 3.5 3.5 0.0 volume=1.552 peak=3462 ppm1=1.353 ppm2=3.971
assign ( resid 139 and name HA
)
( resid 34 and name HB#
or resid 42 and name HB
or resid 91 and name HG#
or resid 91 and name HG#
or resid 123 and name HB#
or resid 134 and name HG#
or resid 134 and name HG#
or resid 157 and name HB#
or resid 179 and name HB#
or resid 1099 and name HG#
or resid 1102 and name HG#
) 5.0 5.0 0.0 volume=0.396 peak=3456 ppm1=4.160 ppm2=2.449
assign ( resid 141 and name HG2#
)
( resid 2 and name HE2#
or resid 26 and name HD2#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 90 and name HZ
or resid 134 and name HE2#
or resid 1081 and name HZ
) 3.5 3.5 0.0 volume=1.899 peak=3441 ppm1=1.204 ppm2=6.852
assign ( resid 141 and name HG2#
)
( resid 24 and name HN
or resid 74 and name HE2#
or resid 77 and name HN
or resid 103 and name HN
or resid 141 and name HN
or resid 142 and name HN
or resid 1106 and name HN
or resid 1111 and name HD2#
) 3.5 3.5 0.0 volume=1.229 peak=2745 ppm1=1.202 ppm2=7.634
assign ( resid 143 and name HG#
)
( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 154 and name HD#
or resid 154 and name HD#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1083 and name HD2
) 5.0 5.0 0.0 volume=-0.404 peak=3025 ppm1=2.428 ppm2=7.040
assign ( resid 145 and name HD#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 7 and name HB
or resid 29 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 145 and name HB#
or resid 149 and name HB#
or resid 156 and name HG#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HB#
) 3.5 3.5 0.0 volume=1.340 peak=2011 ppm1=0.834 ppm2=1.819
assign ( resid 145 and name HD#
)
( resid 45 and name HE#
or resid 45 and name HE#
or resid 45 and name HE#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 63 and name HB#
or resid 94 and name HB#
or resid 107 and name HB#
or resid 129 and name HB#
or resid 129 and name HG
or resid 135 and name HB#
or resid 137 and name HB
or resid 140 and name HB#
or resid 144 and name HB#
or resid 147 and name HG#
or resid 149 and name HG
or resid 150 and name HB#
or resid 181 and name HB#
or resid 182 and name HB#
or resid 183 and name HB#
or resid 1099 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HB
or resid 1114 and name HB#
) 3.5 3.5 0.0 volume=1.588 peak=3424 ppm1=0.826 ppm2=1.933
assign ( resid 145 and name HD#
)
( resid 25 and name HB
or resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 90 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=0.500 peak=3419 ppm1=0.827 ppm2=3.953
assign ( resid 145 and name HD#
)
( resid 55 and name HB#
or resid 55 and name HB#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 58 and name HG2#
or resid 61 and name HB#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 126 and name HG1#
or resid 131 and name HG#
or resid 144 and name HG#
or resid 147 and name HG#
or resid 1075 and name HB
or resid 1075 and name HG1#
or resid 1078 and name HB#
or resid 1085 and name HB
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
) 3.5 3.5 0.0 volume=2.278 peak=3423 ppm1=0.827 ppm2=1.611
assign ( resid 145 and name HD#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 5.0 5.0 0.0 volume=-1.017 peak=3414 ppm1=0.158 ppm2=1.302
assign ( resid 145 and name HD#
)
( resid 23 and name HD#
or resid 23 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HZ
or resid 92 and name HD2#
or resid 154 and name HE#
or resid 154 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 1081 and name HZ
) 5.0 5.0 0.0 volume=-0.534 peak=3412 ppm1=0.171 ppm2=6.826
assign ( resid 146 and name HA
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 63 and name HB#
or resid 79 and name HB#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=-0.808 peak=3361 ppm1=3.780 ppm2=1.131
assign ( resid 146 and name HB#
)
( resid 71 and name HN
or resid 120 and name HN
or resid 144 and name HN
or resid 145 and name HN
or resid 167 and name HD2#
or resid 168 and name HN
or resid 1085 and name HN
or resid 1093 and name HN
) 5.0 5.0 0.0 volume=0.514 peak=3405 ppm1=1.508 ppm2=7.380
assign ( resid 146 and name HB#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.725 peak=3411 ppm1=1.505 ppm2=0.814
assign ( resid 146 and name HB#
)
( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 70 and name HN
or resid 72 and name HN
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 132 and name HD2#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1083 and name HD2
or resid 1102 and name HE2#
or resid 1111 and name HD2#
) 5.0 5.0 0.0 volume=0.446 peak=3406 ppm1=1.502 ppm2=6.996
assign ( resid 146 and name HB#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 97 and name HE1
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.729 peak=3410 ppm1=1.507 ppm2=0.720
assign ( resid 149 and name HD#
)
( resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 82 and name HB#
or resid 90 and name HB#
or resid 92 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 110 and name HB#
or resid 148 and name HB#
or resid 153 and name HE#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=1.018 peak=3364 ppm1=0.870 ppm2=2.904
assign ( resid 151 and name HB#
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 111 and name HB#
or resid 111 and name HG
or resid 112 and name HB#
or resid 128 and name HG#
or resid 135 and name HG#
or resid 145 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 183 and name HG#
or resid 183 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 3.5 3.5 0.0 volume=2.245 peak=3339 ppm1=1.137 ppm2=1.518
assign ( resid 151 and name HB#
)
( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 70 and name HN
or resid 72 and name HN
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 132 and name HD2#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1083 and name HD2
or resid 1102 and name HE2#
or resid 1111 and name HD2#
) 3.5 3.5 0.0 volume=1.448 peak=3336 ppm1=1.138 ppm2=7.007
assign ( resid 152 and name HB
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 3.5 3.5 0.0 volume=-1.229 peak=3328 ppm1=1.720 ppm2=1.002
assign ( resid 152 and name HG#
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 18 and name HB#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 107 and name HB#
or resid 112 and name HG
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 1087 and name HB
or resid 1095 and name HG#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=1.045 peak=3054 ppm1=0.962 ppm2=2.121
assign ( resid 152 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 3.5 3.5 0.0 volume=1.472 peak=3326 ppm1=0.960 ppm2=1.271
assign ( resid 152 and name HG#
)
( resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 82 and name HB#
or resid 90 and name HB#
or resid 92 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 148 and name HB#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.843 peak=3049 ppm1=0.961 ppm2=2.881
assign ( resid 153 and name HB#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 96 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
) 5.0 5.0 0.0 volume=-0.462 peak=3618 ppm1=2.100 ppm2=0.660
assign ( resid 153 and name HG#
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 82 and name HB#
or resid 90 and name HB#
or resid 92 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 148 and name HB#
or resid 154 and name HB#
or resid 154 and name HB#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.622 peak=3238 ppm1=1.249 ppm2=2.871
assign ( resid 153 and name HG#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 96 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
) 5.0 5.0 0.0 volume=1.047 peak=3039 ppm1=1.249 ppm2=0.696
assign ( resid 155 and name HG#
)
( resid 138 and name HN
or resid 161 and name HN
or resid 167 and name HN
or resid 171 and name HN
or resid 172 and name HN
or resid 184 and name HN
or resid 1081 and name HN
or resid 1084 and name HN
or resid 1104 and name HN
or resid 1109 and name HN
or resid 1112 and name HN
or resid 1118 and name HN
) 5.0 5.0 0.0 volume=1.150 peak=3306 ppm1=0.701 ppm2=8.079
assign ( resid 155 and name HG#
)
( resid 120 and name HN
or resid 122 and name HN
or resid 167 and name HD2#
or resid 1085 and name HN
or resid 1093 and name HN
) 5.0 5.0 0.0 volume=0.815 peak=3305 ppm1=0.710 ppm2=7.344
assign ( resid 159 and name HA
)
( resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=-0.577 peak=3294 ppm1=4.265 ppm2=1.259
assign ( resid 159 and name HB#
)
( resid 10 and name HA#
or resid 19 and name HA
or resid 20 and name HA
or resid 52 and name HB
or resid 63 and name HA
or resid 66 and name HA
or resid 71 and name HB#
or resid 83 and name HB#
or resid 83 and name HB#
or resid 116 and name HA
or resid 124 and name HB#
or resid 140 and name HA
or resid 141 and name HB
or resid 158 and name HB#
or resid 158 and name HB#
or resid 166 and name HA
or resid 171 and name HA
or resid 175 and name HA
or resid 1084 and name HA
or resid 1102 and name HA
) 5.0 5.0 0.0 volume=0.929 peak=3297 ppm1=1.777 ppm2=4.084
assign ( resid 160 and name HD#
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HB#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1112 and name HG1#
) 5.0 5.0 0.0 volume=0.789 peak=3131 ppm1=-0.018 ppm2=1.213
assign ( resid 160 and name HD#
)
( resid 25 and name HN
or resid 31 and name HN
or resid 49 and name HN
or resid 95 and name HN
or resid 97 and name HN
or resid 117 and name HN
or resid 177 and name HN
or resid 178 and name HN
or resid 1108 and name HN
) 5.0 5.0 0.0 volume=-0.429 peak=3292 ppm1=0.604 ppm2=7.768
assign ( resid 161 and name HG2#
)
( resid 21 and name HG2#
or resid 21 and name HG2#
or resid 21 and name HG2#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 96 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
) 3.5 3.5 0.0 volume=1.618 peak=3279 ppm1=1.178 ppm2=0.615
assign ( resid 162 and name HG#
)
( resid 75 and name HN
or resid 132 and name HN
or resid 160 and name HN
or resid 162 and name HE2#
or resid 162 and name HN
or resid 165 and name HN
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1105 and name HE
) 5.0 5.0 0.0 volume=-0.524 peak=3263 ppm1=2.196 ppm2=7.470
assign ( resid 165 and name HD#
)
( resid 10 and name HA#
or resid 19 and name HA
or resid 20 and name HA
or resid 63 and name HA
or resid 66 and name HA
or resid 83 and name HB#
or resid 83 and name HB#
or resid 116 and name HA
or resid 124 and name HB#
or resid 140 and name HA
or resid 141 and name HB
or resid 166 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1084 and name HA
or resid 1102 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=-0.715 peak=2899 ppm1=1.287 ppm2=4.069
assign ( resid 165 and name HD#
)
( resid 23 and name HD#
or resid 23 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HZ
or resid 92 and name HD2#
or resid 154 and name HE#
or resid 154 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 1081 and name HZ
) 5.0 5.0 0.0 volume=-0.768 peak=2732 ppm1=1.281 ppm2=6.815
assign ( resid 167 and name HA
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 96 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
) 5.0 5.0 0.0 volume=0.583 peak=2579 ppm1=4.334 ppm2=0.662
assign ( resid 167 and name HA
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.491 peak=47 ppm1=4.334 ppm2=1.001
assign ( resid 167 and name HB#
)
( resid 120 and name HN
or resid 144 and name HN
or resid 145 and name HN
or resid 167 and name HD2#
or resid 168 and name HN
or resid 1085 and name HN
or resid 1093 and name HN
) 5.0 5.0 0.0 volume=-0.623 peak=3195 ppm1=2.705 ppm2=7.358
assign ( resid 168 and name HG#
)
( resid 46 and name HG1#
or resid 79 and name HG
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 135 and name HG#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
) 5.0 5.0 0.0 volume=0.469 peak=3115 ppm1=0.053 ppm2=1.385
assign ( resid 172 and name HB#
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 160 and name HB#
or resid 165 and name HB#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1112 and name HG1#
) 5.0 5.0 0.0 volume=0.983 peak=3069 ppm1=1.383 ppm2=1.216
assign ( resid 172 and name HB#
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1100 and name HB#
) 3.5 3.5 0.0 volume=1.557 peak=3068 ppm1=1.383 ppm2=0.989
assign ( resid 173 and name HD1#
)
( resid 29 and name HA
or resid 35 and name HB
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 104 and name HA
or resid 159 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1093 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1099 and name HA
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
) 5.0 5.0 0.0 volume=0.512 peak=2873 ppm1=0.993 ppm2=4.267
assign ( resid 173 and name HD1#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 79 and name HG
or resid 120 and name HG#
or resid 120 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
or resid 1114 and name HG#
or resid 1118 and name HG#
or resid 1118 and name HG#
) 5.0 5.0 0.0 volume=0.527 peak=3282 ppm1=0.987 ppm2=1.405
assign ( resid 173 and name HD1#
)
( resid 7 and name HB
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 145 and name HB#
or resid 156 and name HG#
or resid 163 and name HB#
or resid 166 and name HD#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.649 peak=2894 ppm1=0.989 ppm2=1.842
assign ( resid 173 and name HG2#
)
( resid 7 and name HB
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 145 and name HB#
or resid 156 and name HG#
or resid 163 and name HB#
or resid 166 and name HD#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 184 and name HB#
or resid 185 and name H2#
or resid 185 and name H2#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.864 peak=2929 ppm1=0.685 ppm2=1.842
assign ( resid 175 and name HB#
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 3.5 3.5 0.0 volume=2.720 peak=2804 ppm1=1.433 ppm2=1.000
assign ( resid 175 and name HB#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 165 and name HG
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 177 and name HG
or resid 183 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
) 5.0 5.0 0.0 volume=0.670 peak=2642 ppm1=1.428 ppm2=1.780
assign ( resid 175 and name HB#
)
( resid 8 and name HB
or resid 19 and name HB#
or resid 38 and name HB#
or resid 38 and name HB#
or resid 57 and name HB#
or resid 62 and name HG#
or resid 62 and name HG#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 93 and name HB
or resid 95 and name HG#
or resid 96 and name HE#
or resid 109 and name HB#
or resid 140 and name HG#
or resid 150 and name HB#
or resid 169 and name HB#
or resid 178 and name HG#
or resid 178 and name HG#
or resid 180 and name HB#
or resid 181 and name HG#
or resid 181 and name HG#
or resid 182 and name HB#
or resid 1092 and name HB
or resid 1101 and name HG#
or resid 1116 and name HG#
or resid 1116 and name HG#
) 5.0 5.0 0.0 volume=0.657 peak=2668 ppm1=1.439 ppm2=2.336
assign ( resid 176 and name HA
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 97 and name HE1
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=-0.502 peak=2632 ppm1=4.042 ppm2=0.746
assign ( resid 176 and name HB#
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 97 and name HE1
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 3.5 3.5 0.0 volume=3.654 peak=2637 ppm1=1.405 ppm2=0.752
assign ( resid 179 and name HD#
)
( resid 8 and name HB
or resid 19 and name HB#
or resid 38 and name HB#
or resid 38 and name HB#
or resid 49 and name HG#
or resid 73 and name HB#
or resid 73 and name HB#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 80 and name HB
or resid 93 and name HB
or resid 95 and name HG#
or resid 96 and name HE#
or resid 109 and name HB#
or resid 127 and name HG#
or resid 140 and name HG#
or resid 143 and name HG#
or resid 178 and name HG#
or resid 178 and name HG#
or resid 180 and name HB#
or resid 182 and name HB#
or resid 1101 and name HG#
or resid 1117 and name HG#
or resid 1117 and name HG#
) 5.0 5.0 0.0 volume=-0.575 peak=609 ppm1=3.663 ppm2=2.380
assign ( resid 181 and name HA
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 106 and name HB#
or resid 123 and name HB#
or resid 126 and name HB
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 3.5 3.5 0.0 volume=-3.458 peak=2589 ppm1=4.646 ppm2=2.030
assign ( resid 89 and name HN
or resid 131 and name HN
)
( resid 2 and name HA
or resid 73 and name HA
or resid 80 and name HA
or resid 84 and name HA
or resid 87 and name HA
or resid 88 and name HA
or resid 96 and name HA
or resid 103 and name HA
or resid 124 and name HA
or resid 130 and name HA
or resid 148 and name HA
or resid 164 and name HA#
or resid 167 and name HA
or resid 183 and name HA
or resid 1080 and name HA
or resid 1085 and name HA
or resid 1099 and name HA
or resid 1116 and name HA
or resid 1117 and name HA
) 3.5 3.5 0.0 volume=1.259 peak=5561 ppm1=8.139 ppm2=4.345
assign ( resid 84 and name HN
or resid 111 and name HN
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 3.5 3.5 0.0 volume=1.521 peak=5736 ppm1=8.789 ppm2=1.025
assign ( resid 84 and name HN
or resid 111 and name HN
)
( resid 13 and name HB#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 27 and name HB#
or resid 79 and name HG
or resid 94 and name HG#
or resid 94 and name HG#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 150 and name HG#
or resid 150 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 5.0 5.0 0.0 volume=0.720 peak=5744 ppm1=8.784 ppm2=1.368
assign ( resid 40 and name HN
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.594 peak=5478 ppm1=8.884 ppm2=1.072
assign ( resid 40 and name HN
)
( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 154 and name HD#
or resid 154 and name HD#
) 5.0 5.0 0.0 volume=0.358 peak=6372 ppm1=8.877 ppm2=7.053
assign ( resid 40 and name HN
or resid 80 and name HN
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 160 and name HG
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 5.0 5.0 0.0 volume=0.521 peak=5569 ppm1=8.890 ppm2=0.964
assign ( resid 46 and name HN
or resid 55 and name HN
)
( resid 7 and name HB
or resid 31 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 137 and name HB
or resid 145 and name HB#
or resid 156 and name HG#
or resid 163 and name HB#
or resid 166 and name HD#
or resid 174 and name HG
or resid 184 and name HB#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.785 peak=5658 ppm1=9.318 ppm2=1.860
assign ( resid 46 and name HN
or resid 55 and name HN
)
( resid 28 and name HA
or resid 77 and name HA
or resid 79 and name HA
or resid 108 and name HA
or resid 111 and name HA
or resid 125 and name HA
or resid 138 and name HB
or resid 179 and name HA
or resid 1075 and name HA
or resid 1079 and name HA
or resid 1111 and name HA
) 5.0 5.0 0.0 volume=0.462 peak=5663 ppm1=9.321 ppm2=4.766
assign ( resid 5 and name HN
)
( resid 8 and name HN
or resid 15 and name HN
or resid 45 and name HN
or resid 76 and name HN
or resid 98 and name HN
or resid 140 and name HN
or resid 1082 and name HN
or resid 1088 and name HN
) 5.0 5.0 0.0 volume=-0.494 peak=948 ppm1=10.733 ppm2=8.647
assign ( resid 7 and name HN
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 21 and name HG1#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=-0.497 peak=6204 ppm1=8.004 ppm2=1.161
assign ( resid 9 and name HN
)
( resid 2 and name HG#
or resid 2 and name HG#
or resid 18 and name HB#
or resid 29 and name HB#
or resid 31 and name HG#
or resid 31 and name HG#
or resid 77 and name HB
or resid 91 and name HB#
or resid 98 and name HB
or resid 107 and name HB#
or resid 109 and name HG#
or resid 109 and name HG#
or resid 112 and name HB#
or resid 113 and name HB
or resid 127 and name HB#
or resid 127 and name HB#
or resid 133 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 162 and name HG#
or resid 1082 and name HG#
or resid 1095 and name HG#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=0.459 peak=5888 ppm1=9.007 ppm2=2.168
assign ( resid 9 and name HN
)
( resid 4 and name HG1#
or resid 10 and name HA#
or resid 21 and name HB
or resid 94 and name HB#
or resid 128 and name HD#
or resid 128 and name HG#
or resid 133 and name HD#
or resid 135 and name HB#
or resid 144 and name HD#
or resid 147 and name HG#
or resid 152 and name HB
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1077 and name HB#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 5.0 5.0 0.0 volume=0.411 peak=6413 ppm1=9.009 ppm2=1.705
assign ( resid 9 and name HN
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 63 and name HB#
or resid 70 and name HG
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HB#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1112 and name HG1#
) 5.0 5.0 0.0 volume=0.993 peak=5886 ppm1=9.012 ppm2=1.201
assign ( resid 10 and name HN
)
( resid 11 and name HA
or resid 57 and name HA
or resid 92 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
or resid 1075 and name HA
) 5.0 5.0 0.0 volume=-0.413 peak=5657 ppm1=6.928 ppm2=4.826
assign ( resid 10 and name HN
)
( resid 46 and name HG1#
or resid 79 and name HG
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 135 and name HG#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
) 5.0 5.0 0.0 volume=-0.400 peak=5674 ppm1=6.930 ppm2=1.385
assign ( resid 16 and name HN
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=0.541 peak=5660 ppm1=9.444 ppm2=0.890
assign ( resid 16 and name HN
)
( resid 27 and name HB#
or resid 79 and name HG
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 135 and name HG#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
) 5.0 5.0 0.0 volume=0.441 peak=5667 ppm1=9.438 ppm2=1.380
assign ( resid 17 and name HN
)
( resid 55 and name HB#
or resid 55 and name HB#
or resid 61 and name HB#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 126 and name HG1#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 131 and name HG#
or resid 144 and name HG#
or resid 147 and name HG#
or resid 163 and name HB#
or resid 1075 and name HB
or resid 1075 and name HG1#
or resid 1078 and name HB#
or resid 1085 and name HB
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1107 and name HB#
) 5.0 5.0 0.0 volume=0.373 peak=6195 ppm1=9.341 ppm2=1.621
assign ( resid 17 and name HN
)
( resid 45 and name HG#
or resid 45 and name HG#
or resid 139 and name HB#
or resid 143 and name HG#
or resid 1099 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=0.610 peak=6196 ppm1=9.332 ppm2=2.594
assign ( resid 17 and name HN
)
( resid 6 and name HN
or resid 56 and name HN
or resid 116 and name HN
) 5.0 5.0 0.0 volume=0.476 peak=6199 ppm1=9.332 ppm2=9.519
assign ( resid 18 and name HN
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 177 and name HG
or resid 183 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
) 5.0 5.0 0.0 volume=0.429 peak=6141 ppm1=9.978 ppm2=1.790
assign ( resid 18 and name HN
)
( resid 1 and name HG#
or resid 1 and name HG#
or resid 23 and name HB#
or resid 45 and name HG#
or resid 45 and name HG#
or resid 81 and name HB#
or resid 100 and name HG#
or resid 100 and name HG#
or resid 106 and name HB#
or resid 139 and name HB#
or resid 143 and name HG#
or resid 170 and name HB#
or resid 1099 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=0.826 peak=6143 ppm1=9.978 ppm2=2.567
assign ( resid 18 and name HN
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 84 and name HB
or resid 122 and name HB#
or resid 153 and name HE#
or resid 154 and name HB#
or resid 154 and name HB#
or resid 1089 and name HB#
or resid 1089 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.535 peak=6144 ppm1=9.987 ppm2=2.824
assign ( resid 18 and name HN
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 105 and name HB#
or resid 120 and name HA
or resid 126 and name HA
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=0.647 peak=6145 ppm1=9.978 ppm2=3.620
assign ( resid 19 and name HN
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 105 and name HB#
or resid 120 and name HA
or resid 126 and name HA
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=0.375 peak=5567 ppm1=8.231 ppm2=3.623
assign ( resid 19 and name HN
)
( resid 29 and name HA
or resid 33 and name HA
or resid 35 and name HB
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 103 and name HA
or resid 104 and name HA
or resid 159 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1085 and name HA
or resid 1093 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1099 and name HA
or resid 1100 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
) 5.0 5.0 0.0 volume=0.434 peak=6138 ppm1=8.228 ppm2=4.276
assign ( resid 20 and name HN
)
( resid 20 and name HG
or resid 49 and name HB#
or resid 49 and name HG#
or resid 74 and name HG#
or resid 81 and name HB#
or resid 91 and name HB#
or resid 95 and name HG#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 123 and name HG#
or resid 123 and name HG#
or resid 162 and name HB#
or resid 1082 and name HG#
or resid 1090 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 3.5 3.5 0.0 volume=1.436 peak=6152 ppm1=7.699 ppm2=2.242
assign ( resid 21 and name HN
)
( resid 3 and name HB
or resid 22 and name HB#
or resid 22 and name HB#
or resid 30 and name HA
or resid 95 and name HA
or resid 108 and name HB
or resid 129 and name HA
or resid 131 and name HA
or resid 139 and name HA
or resid 145 and name HA
or resid 155 and name HA
or resid 1082 and name HA
or resid 1102 and name HA
or resid 1105 and name HA
) 5.0 5.0 0.0 volume=0.404 peak=5455 ppm1=9.305 ppm2=4.150
assign ( resid 22 and name HN
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 105 and name HB#
or resid 126 and name HA
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=0.371 peak=6156 ppm1=8.967 ppm2=3.603
assign ( resid 25 and name HN
)
( resid 10 and name HA#
or resid 19 and name HA
or resid 20 and name HA
or resid 52 and name HB
or resid 63 and name HA
or resid 66 and name HA
or resid 83 and name HB#
or resid 83 and name HB#
or resid 116 and name HA
or resid 124 and name HB#
or resid 140 and name HA
or resid 141 and name HB
or resid 158 and name HB#
or resid 158 and name HB#
or resid 166 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1084 and name HA
or resid 1102 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=-0.532 peak=6171 ppm1=7.740 ppm2=4.074
assign ( resid 26 and name HN
)
( resid 10 and name HA#
or resid 19 and name HA
or resid 20 and name HA
or resid 52 and name HB
or resid 63 and name HA
or resid 66 and name HA
or resid 71 and name HB#
or resid 83 and name HB#
or resid 83 and name HB#
or resid 116 and name HA
or resid 124 and name HB#
or resid 140 and name HA
or resid 141 and name HB
or resid 158 and name HB#
or resid 158 and name HB#
or resid 166 and name HA
or resid 171 and name HA
or resid 175 and name HA
or resid 1084 and name HA
or resid 1102 and name HA
) 5.0 5.0 0.0 volume=0.514 peak=6176 ppm1=7.698 ppm2=4.087
assign ( resid 26 and name HN
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HB#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1112 and name HG1#
) 5.0 5.0 0.0 volume=0.445 peak=6173 ppm1=7.697 ppm2=1.204
assign ( resid 27 and name HN
)
( resid 10 and name HA#
or resid 19 and name HA
or resid 20 and name HA
or resid 52 and name HB
or resid 63 and name HA
or resid 66 and name HA
or resid 71 and name HB#
or resid 83 and name HB#
or resid 83 and name HB#
or resid 116 and name HA
or resid 124 and name HB#
or resid 140 and name HA
or resid 141 and name HB
or resid 158 and name HB#
or resid 158 and name HB#
or resid 166 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1084 and name HA
or resid 1102 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=0.863 peak=6185 ppm1=7.163 ppm2=4.076
assign ( resid 27 and name HN
)
( resid 21 and name HG2#
or resid 21 and name HG2#
or resid 21 and name HG2#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 96 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
) 5.0 5.0 0.0 volume=0.443 peak=6181 ppm1=7.167 ppm2=0.631
assign ( resid 30 and name HN
)
( resid 17 and name HB
or resid 31 and name HA
or resid 59 and name HA
or resid 85 and name HA
or resid 106 and name HA
or resid 118 and name HA
or resid 180 and name HA
or resid 1074 and name HA
or resid 1076 and name HA
or resid 1095 and name HA
or resid 1103 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=0.424 peak=6292 ppm1=8.287 ppm2=4.531
assign ( resid 30 and name HN
)
( resid 138 and name HN
or resid 161 and name HN
or resid 167 and name HN
or resid 171 and name HN
or resid 172 and name HN
or resid 184 and name HN
or resid 1081 and name HN
or resid 1084 and name HN
or resid 1104 and name HN
or resid 1109 and name HN
or resid 1112 and name HN
or resid 1118 and name HN
) 5.0 5.0 0.0 volume=0.487 peak=6294 ppm1=8.283 ppm2=8.079
assign ( resid 31 and name HN
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 160 and name HG
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 5.0 5.0 0.0 volume=0.665 peak=6303 ppm1=7.782 ppm2=0.956
assign ( resid 31 and name HN
)
( resid 51 and name HB#
or resid 68 and name HD#
or resid 68 and name HD#
or resid 78 and name HB#
or resid 78 and name HB#
or resid 97 and name HB#
or resid 104 and name HB#
or resid 105 and name HB#
or resid 107 and name HE#
or resid 107 and name HE#
or resid 110 and name HB#
or resid 128 and name HE#
or resid 128 and name HE#
or resid 131 and name HE#
or resid 131 and name HE#
or resid 133 and name HE#
or resid 133 and name HE#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 144 and name HE#
or resid 144 and name HE#
or resid 151 and name HA
or resid 168 and name HA
or resid 184 and name HE#
or resid 184 and name HE#
or resid 1086 and name HB#
or resid 1096 and name HB#
or resid 1100 and name HD#
or resid 1114 and name HE#
or resid 1114 and name HE#
or resid 1118 and name HE#
or resid 1118 and name HE#
) 5.0 5.0 0.0 volume=0.392 peak=6297 ppm1=7.773 ppm2=3.026
assign ( resid 31 and name HN
)
( resid 29 and name HA
or resid 33 and name HA
or resid 35 and name HB
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 103 and name HA
or resid 104 and name HA
or resid 159 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1085 and name HA
or resid 1093 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1099 and name HA
or resid 1100 and name HA
or resid 1112 and name HA
) 5.0 5.0 0.0 volume=1.170 peak=6300 ppm1=7.782 ppm2=4.279
assign ( resid 32 and name HN
)
( resid 29 and name HA
or resid 35 and name HB
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 104 and name HA
or resid 159 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1085 and name HA
or resid 1093 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1099 and name HA
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
) 5.0 5.0 0.0 volume=0.374 peak=6308 ppm1=8.873 ppm2=4.269
assign ( resid 35 and name HN
)
( resid 25 and name HN
or resid 31 and name HN
or resid 49 and name HN
or resid 95 and name HN
or resid 97 and name HN
or resid 117 and name HN
or resid 177 and name HN
or resid 178 and name HN
or resid 1108 and name HN
) 5.0 5.0 0.0 volume=0.401 peak=6338 ppm1=10.453 ppm2=7.764
assign ( resid 35 and name HN
)
( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 154 and name HD#
or resid 154 and name HD#
) 5.0 5.0 0.0 volume=0.539 peak=6337 ppm1=10.450 ppm2=7.051
assign ( resid 37 and name HN
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.677 peak=6345 ppm1=7.237 ppm2=1.031
assign ( resid 38 and name HN
)
( resid 26 and name HB#
or resid 27 and name HE#
or resid 27 and name HE#
or resid 110 and name HB#
or resid 121 and name HB#
or resid 153 and name HE#
or resid 163 and name HE#
or resid 163 and name HE#
) 5.0 5.0 0.0 volume=0.388 peak=6235 ppm1=7.839 ppm2=2.944
assign ( resid 39 and name HN
)
( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1083 and name HD2
) 5.0 5.0 0.0 volume=0.373 peak=6241 ppm1=8.210 ppm2=7.031
assign ( resid 39 and name HD2#
)
( resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 68 and name HN
or resid 100 and name HN
or resid 108 and name HN
or resid 1102 and name HE2#
or resid 1106 and name HN
or resid 1108 and name HE2#
) 5.0 5.0 0.0 volume=-0.396 peak=938 ppm1=5.770 ppm2=7.567
assign ( resid 39 and name HD2#
)
( resid 32 and name HN
or resid 40 and name HN
or resid 80 and name HN
or resid 107 and name HN
or resid 114 and name HN
or resid 118 and name HN
or resid 143 and name HN
or resid 152 and name HN
or resid 157 and name HN
or resid 1076 and name HN
or resid 1086 and name HN
) 5.0 5.0 0.0 volume=-0.515 peak=6418 ppm1=5.782 ppm2=8.861
assign ( resid 39 and name HD2#
)
( resid 32 and name HN
or resid 40 and name HN
or resid 80 and name HN
or resid 107 and name HN
or resid 114 and name HN
or resid 118 and name HN
or resid 143 and name HN
or resid 152 and name HN
or resid 157 and name HN
or resid 1076 and name HN
or resid 1086 and name HN
) 5.0 5.0 0.0 volume=-0.399 peak=6419 ppm1=5.940 ppm2=8.863
assign ( resid 41 and name HN
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.429 peak=6225 ppm1=9.033 ppm2=1.086
assign ( resid 43 and name HN
)
( resid 1 and name HG#
or resid 1 and name HG#
or resid 23 and name HB#
or resid 39 and name HB#
or resid 45 and name HG#
or resid 45 and name HG#
or resid 51 and name HB#
or resid 81 and name HB#
or resid 85 and name HB
or resid 100 and name HG#
or resid 100 and name HG#
or resid 106 and name HB#
or resid 121 and name HB#
or resid 170 and name HB#
or resid 171 and name HG#
or resid 1086 and name HB#
or resid 1102 and name HG#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=0.733 peak=6220 ppm1=9.187 ppm2=2.528
assign ( resid 43 and name HN
)
( resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 82 and name HB#
or resid 90 and name HB#
or resid 92 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 110 and name HB#
or resid 148 and name HB#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.524 peak=6222 ppm1=9.185 ppm2=2.895
assign ( resid 45 and name HN
)
( resid 4 and name HG1#
or resid 10 and name HA#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 94 and name HB#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 133 and name HD#
or resid 135 and name HB#
or resid 144 and name HD#
or resid 147 and name HG#
or resid 152 and name HB
or resid 163 and name HD#
or resid 163 and name HD#
or resid 177 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 5.0 5.0 0.0 volume=0.646 peak=6250 ppm1=8.652 ppm2=1.690
assign ( resid 45 and name HN
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 55 and name HG
or resid 63 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 137 and name HB
or resid 145 and name HB#
or resid 156 and name HG#
or resid 166 and name HD#
or resid 174 and name HG
or resid 184 and name HB#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.566 peak=6251 ppm1=8.652 ppm2=1.869
assign ( resid 45 and name HN
)
( resid 17 and name HB
or resid 31 and name HA
or resid 58 and name HB
or resid 59 and name HA
or resid 85 and name HA
or resid 106 and name HA
or resid 118 and name HA
or resid 1074 and name HA
or resid 1076 and name HA
or resid 1095 and name HA
or resid 1103 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=0.538 peak=6255 ppm1=8.652 ppm2=4.543
assign ( resid 48 and name HN
)
( resid 26 and name HA
or resid 37 and name HA
or resid 46 and name HA
or resid 56 and name HA
or resid 109 and name HA
or resid 138 and name HA
or resid 178 and name HA
or resid 181 and name HA
or resid 1088 and name HA#
) 5.0 5.0 0.0 volume=-0.388 peak=6030 ppm1=8.602 ppm2=4.645
assign ( resid 49 and name HN
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 133 and name HA
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=0.457 peak=6029 ppm1=7.783 ppm2=3.967
assign ( resid 49 and name HN
)
( resid 20 and name HG
or resid 49 and name HG#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 91 and name HB#
or resid 95 and name HG#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 123 and name HG#
or resid 123 and name HG#
or resid 150 and name HB#
or resid 162 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 3.5 3.5 0.0 volume=2.061 peak=5570 ppm1=7.784 ppm2=2.253
assign ( resid 51 and name HN
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 59 and name HB#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 63 and name HB#
or resid 107 and name HB#
or resid 129 and name HB#
or resid 129 and name HG
or resid 137 and name HB
or resid 144 and name HB#
or resid 147 and name HG#
or resid 150 and name HB#
or resid 156 and name HG#
or resid 166 and name HD#
or resid 183 and name HB#
or resid 1082 and name HB#
or resid 1099 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.411 peak=6131 ppm1=9.444 ppm2=1.895
assign ( resid 53 and name HN
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1100 and name HB#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 5.0 5.0 0.0 volume=-0.616 peak=1618 ppm1=9.725 ppm2=0.985
assign ( resid 55 and name HN
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HB#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1112 and name HG1#
) 5.0 5.0 0.0 volume=0.438 peak=5668 ppm1=9.319 ppm2=1.215
assign ( resid 55 and name HN
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.505 peak=5662 ppm1=9.320 ppm2=1.028
assign ( resid 56 and name HN
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=0.437 peak=6257 ppm1=9.535 ppm2=0.905
assign ( resid 57 and name HN
)
( resid 27 and name HN
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 64 and name HD#
or resid 64 and name HD#
or resid 162 and name HE2#
or resid 1086 and name HD2
or resid 1089 and name HZ
or resid 1095 and name HN
) 5.0 5.0 0.0 volume=0.346 peak=5821 ppm1=8.903 ppm2=7.137
assign ( resid 57 and name HN
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.448 peak=6261 ppm1=8.890 ppm2=1.101
assign ( resid 58 and name HN
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 101 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.570 peak=6266 ppm1=6.923 ppm2=1.044
assign ( resid 58 and name HN
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.643 peak=6267 ppm1=6.918 ppm2=1.172
assign ( resid 61 and name HN
)
( resid 4 and name HG1#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.749 peak=6319 ppm1=8.548 ppm2=1.090
assign ( resid 63 and name HN
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1095 and name HG#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 3.5 3.5 0.0 volume=1.436 peak=5379 ppm1=8.481 ppm2=2.093
assign ( resid 63 and name HN
)
( resid 17 and name HB
or resid 27 and name HA
or resid 31 and name HA
or resid 59 and name HA
or resid 61 and name HA
or resid 85 and name HA
or resid 107 and name HA
or resid 118 and name HA
or resid 123 and name HD#
or resid 136 and name HA
or resid 161 and name HB
or resid 180 and name HA
or resid 1077 and name HA
or resid 1095 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=0.568 peak=5392 ppm1=8.483 ppm2=4.497
assign ( resid 64 and name HN
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 18 and name HB#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1095 and name HG#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=0.362 peak=6113 ppm1=7.234 ppm2=2.107
assign ( resid 70 and name HN
)
( resid 7 and name HB
or resid 31 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 95 and name HB#
or resid 120 and name HB#
or resid 137 and name HB
or resid 145 and name HB#
or resid 156 and name HG#
or resid 163 and name HB#
or resid 166 and name HD#
or resid 174 and name HG
or resid 184 and name HB#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.350 peak=6108 ppm1=6.958 ppm2=1.865
assign ( resid 72 and name HN
)
( resid 69 and name HD#
or resid 69 and name HD#
or resid 86 and name HB#
or resid 93 and name HA
or resid 102 and name HA
or resid 114 and name HA#
or resid 143 and name HA
or resid 146 and name HA
or resid 179 and name HD#
or resid 1073 and name HA#
or resid 1092 and name HA
or resid 1098 and name HA#
) 5.0 5.0 0.0 volume=0.816 peak=5612 ppm1=6.991 ppm2=3.789
assign ( resid 72 and name HN
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 105 and name HB#
or resid 126 and name HA
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=0.636 peak=5611 ppm1=6.998 ppm2=3.604
assign ( resid 74 and name HE2#
)
( resid 8 and name HB
or resid 19 and name HB#
or resid 38 and name HB#
or resid 38 and name HB#
or resid 49 and name HG#
or resid 57 and name HB#
or resid 62 and name HG#
or resid 62 and name HG#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 80 and name HB
or resid 93 and name HB
or resid 95 and name HG#
or resid 96 and name HE#
or resid 109 and name HB#
or resid 140 and name HG#
or resid 140 and name HG#
or resid 169 and name HB#
or resid 178 and name HG#
or resid 178 and name HG#
or resid 180 and name HB#
or resid 181 and name HG#
or resid 181 and name HG#
or resid 182 and name HB#
or resid 1092 and name HB
or resid 1101 and name HG#
or resid 1101 and name HG#
) 5.0 5.0 0.0 volume=1.001 peak=5418 ppm1=7.629 ppm2=2.351
assign ( resid 75 and name HN
)
( resid 103 and name HD2
) 5.0 5.0 0.0 volume=0.883 peak=6326 ppm1=7.456 ppm2=5.987
assign ( resid 75 and name HN
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
) 5.0 5.0 0.0 volume=0.407 peak=6323 ppm1=7.453 ppm2=0.844
assign ( resid 78 and name HN
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.391 peak=5952 ppm1=8.465 ppm2=0.726
assign ( resid 79 and name HN
)
( resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.398 peak=5337 ppm1=9.154 ppm2=0.781
assign ( resid 83 and name HN
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 40 and name HB#
or resid 40 and name HB#
or resid 64 and name HB#
or resid 70 and name HA
or resid 98 and name HA
or resid 104 and name HB#
or resid 105 and name HB#
or resid 126 and name HA
or resid 152 and name HA
or resid 1088 and name HA#
or resid 1094 and name HA#
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=0.411 peak=6417 ppm1=8.168 ppm2=3.574
assign ( resid 84 and name HN
)
( resid 28 and name HA
or resid 77 and name HA
or resid 79 and name HA
or resid 108 and name HA
or resid 111 and name HA
or resid 125 and name HA
or resid 138 and name HB
or resid 1079 and name HA
or resid 1111 and name HA
) 5.0 5.0 0.0 volume=0.578 peak=5365 ppm1=8.784 ppm2=4.759
assign ( resid 86 and name HN
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.365 peak=6024 ppm1=7.859 ppm2=1.000
assign ( resid 86 and name HN
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 105 and name HB#
or resid 120 and name HA
or resid 126 and name HA
or resid 1100 and name HD#
) 5.0 5.0 0.0 volume=0.498 peak=5879 ppm1=7.859 ppm2=3.619
assign ( resid 86 and name HN
)
( resid 24 and name HN
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 74 and name HE2#
or resid 77 and name HN
or resid 85 and name HN
or resid 103 and name HN
or resid 141 and name HN
or resid 142 and name HN
or resid 1111 and name HD2#
or resid 1117 and name HE2#
) 3.5 3.5 0.0 volume=1.521 peak=5874 ppm1=7.859 ppm2=7.646
assign ( resid 89 and name HN
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 82 and name HB#
or resid 84 and name HB
or resid 90 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 122 and name HB#
or resid 148 and name HB#
or resid 154 and name HB#
or resid 154 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1089 and name HB#
) 5.0 5.0 0.0 volume=0.400 peak=6123 ppm1=8.131 ppm2=2.865
assign ( resid 89 and name HN
)
( resid 17 and name HB
or resid 31 and name HA
or resid 58 and name HB
or resid 59 and name HA
or resid 85 and name HA
or resid 106 and name HA
or resid 118 and name HA
or resid 1074 and name HA
or resid 1076 and name HA
or resid 1095 and name HA
or resid 1103 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=0.489 peak=6121 ppm1=8.126 ppm2=4.544
assign ( resid 89 and name HN
)
( resid 40 and name HE#
or resid 40 and name HE#
) 5.0 5.0 0.0 volume=0.484 peak=6122 ppm1=8.123 ppm2=6.160
assign ( resid 96 and name HN
)
( resid 23 and name HN
or resid 25 and name HN
or resid 31 and name HN
or resid 49 and name HN
or resid 59 and name HN
or resid 95 and name HN
or resid 97 and name HN
or resid 117 and name HN
or resid 177 and name HN
or resid 178 and name HN
or resid 1108 and name HN
) 3.5 3.5 0.0 volume=1.471 peak=5396 ppm1=8.176 ppm2=7.752
assign ( resid 97 and name HE1
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 82 and name HB#
or resid 84 and name HB
or resid 90 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 148 and name HB#
or resid 154 and name HB#
or resid 154 and name HB#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=-0.626 peak=726 ppm1=11.703 ppm2=2.869
assign ( resid 97 and name HE1
)
( resid 4 and name HG1#
or resid 10 and name HA#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 94 and name HB#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 133 and name HD#
or resid 135 and name HB#
or resid 144 and name HD#
or resid 147 and name HG#
or resid 152 and name HB
or resid 163 and name HD#
or resid 163 and name HD#
or resid 177 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1107 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 5.0 5.0 0.0 volume=-0.418 peak=868 ppm1=11.710 ppm2=1.684
assign ( resid 97 and name HE1
)
( resid 24 and name HA
or resid 90 and name HB#
or resid 92 and name HB#
or resid 114 and name HA#
or resid 147 and name HD#
or resid 160 and name HA
or resid 173 and name HA
or resid 1078 and name HD#
) 5.0 5.0 0.0 volume=-0.461 peak=733 ppm1=11.699 ppm2=3.360
assign ( resid 98 and name HN
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 3.5 3.5 0.0 volume=1.457 peak=5372 ppm1=8.682 ppm2=0.733
assign ( resid 101 and name HN
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.403 peak=6014 ppm1=8.301 ppm2=0.722
assign ( resid 104 and name HN
)
( resid 38 and name HN
or resid 86 and name HN
or resid 147 and name HN
or resid 177 and name HN
) 5.0 5.0 0.0 volume=0.490 peak=6012 ppm1=7.280 ppm2=7.830
assign ( resid 111 and name HN
)
( resid 26 and name HB#
or resid 68 and name HD#
or resid 68 and name HD#
or resid 78 and name HB#
or resid 78 and name HB#
or resid 97 and name HB#
or resid 104 and name HB#
or resid 105 and name HB#
or resid 107 and name HE#
or resid 107 and name HE#
or resid 110 and name HB#
or resid 128 and name HE#
or resid 128 and name HE#
or resid 131 and name HE#
or resid 131 and name HE#
or resid 133 and name HE#
or resid 133 and name HE#
or resid 135 and name HE#
or resid 135 and name HE#
or resid 144 and name HE#
or resid 144 and name HE#
or resid 151 and name HA
or resid 168 and name HA
or resid 183 and name HE#
or resid 183 and name HE#
or resid 184 and name HE#
or resid 184 and name HE#
or resid 1086 and name HB#
or resid 1096 and name HB#
or resid 1100 and name HD#
or resid 1114 and name HE#
or resid 1114 and name HE#
or resid 1118 and name HE#
or resid 1118 and name HE#
) 5.0 5.0 0.0 volume=0.531 peak=5746 ppm1=8.786 ppm2=3.033
assign ( resid 111 and name HN
)
( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 154 and name HD#
or resid 154 and name HD#
) 5.0 5.0 0.0 volume=0.576 peak=5745 ppm1=8.779 ppm2=7.054
assign ( resid 111 and name HN
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 3.5 3.5 0.0 volume=1.219 peak=5738 ppm1=8.784 ppm2=0.712
assign ( resid 112 and name HN
)
( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 70 and name HN
or resid 72 and name HN
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 132 and name HD2#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1081 and name HE#
or resid 1083 and name HD2
or resid 1102 and name HE2#
or resid 1111 and name HD2#
) 5.0 5.0 0.0 volume=0.560 peak=5781 ppm1=8.132 ppm2=7.003
assign ( resid 119 and name HN
)
( resid 25 and name HB
or resid 30 and name HB#
or resid 35 and name HA
or resid 117 and name HA
or resid 125 and name HB
or resid 141 and name HA
or resid 142 and name HA
or resid 164 and name HA#
or resid 165 and name HA
or resid 174 and name HA
or resid 180 and name HD#
or resid 182 and name HD#
or resid 1073 and name HA#
or resid 1074 and name HB#
or resid 1074 and name HB#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1115 and name HB#
or resid 1115 and name HB#
) 5.0 5.0 0.0 volume=0.481 peak=5619 ppm1=7.984 ppm2=3.917
assign ( resid 119 and name HN
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 55 and name HG
or resid 63 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 137 and name HB
or resid 145 and name HB#
or resid 156 and name HG#
or resid 166 and name HD#
or resid 174 and name HG
or resid 184 and name HB#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.916 peak=5617 ppm1=7.991 ppm2=1.869
assign ( resid 120 and name HN
)
( resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.647 peak=5939 ppm1=7.351 ppm2=0.788
assign ( resid 121 and name HN
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
) 5.0 5.0 0.0 volume=0.471 peak=5435 ppm1=7.192 ppm2=0.843
assign ( resid 121 and name HN
)
( resid 120 and name HN
or resid 122 and name HN
or resid 144 and name HN
or resid 145 and name HN
or resid 167 and name HD2#
or resid 168 and name HN
or resid 1085 and name HN
or resid 1093 and name HN
) 3.5 3.5 0.0 volume=2.342 peak=6385 ppm1=7.188 ppm2=7.351
assign ( resid 122 and name HN
)
( resid 1 and name HA
or resid 4 and name HA
or resid 22 and name HA
or resid 25 and name HA
or resid 27 and name HA
or resid 61 and name HA
or resid 65 and name HA
or resid 89 and name HB#
or resid 89 and name HB#
or resid 107 and name HA
or resid 119 and name HA
or resid 123 and name HD#
or resid 148 and name HA
or resid 149 and name HA
or resid 153 and name HA
or resid 182 and name HA
or resid 1098 and name HA#
or resid 1114 and name HA
) 5.0 5.0 0.0 volume=0.911 peak=5795 ppm1=7.324 ppm2=4.439
assign ( resid 125 and name HN
)
( resid 11 and name HN
or resid 103 and name HE1
or resid 127 and name HN
or resid 155 and name HN
or resid 181 and name HN
or resid 1087 and name HN
or resid 1094 and name HN
or resid 1114 and name HN
) 5.0 5.0 0.0 volume=0.931 peak=6386 ppm1=8.000 ppm2=8.351
assign ( resid 126 and name HN
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 53 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=1.076 peak=5543 ppm1=8.307 ppm2=1.276
assign ( resid 128 and name HN
)
( resid 4 and name HB
or resid 4 and name HG1#
or resid 10 and name HA#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 21 and name HB
or resid 66 and name HB#
or resid 94 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 128 and name HD#
or resid 128 and name HG#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 152 and name HB
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1077 and name HB#
or resid 1082 and name HB#
or resid 1095 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 5.0 5.0 0.0 volume=1.175 peak=5552 ppm1=7.983 ppm2=1.730
assign ( resid 130 and name HN
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 62 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 112 and name HG
or resid 117 and name HB
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 156 and name HB#
or resid 156 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=1.066 peak=5766 ppm1=8.578 ppm2=2.045
assign ( resid 131 and name HN
)
( resid 4 and name HG1#
or resid 10 and name HA#
or resid 66 and name HG#
or resid 66 and name HG#
or resid 94 and name HB#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 133 and name HD#
or resid 135 and name HB#
or resid 144 and name HD#
or resid 147 and name HG#
or resid 152 and name HB
or resid 163 and name HD#
or resid 163 and name HD#
or resid 177 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1077 and name HB#
or resid 1095 and name HB#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1099 and name HE#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 3.5 3.5 0.0 volume=2.246 peak=5558 ppm1=8.147 ppm2=1.691
assign ( resid 132 and name HN
)
( resid 83 and name HN
or resid 89 and name HN
or resid 91 and name HN
or resid 92 and name HN
or resid 96 and name HN
or resid 131 and name HN
or resid 133 and name HN
or resid 134 and name HN
or resid 156 and name HN
or resid 174 and name HN
) 3.5 3.5 0.0 volume=2.897 peak=6388 ppm1=7.491 ppm2=8.159
assign ( resid 132 and name HN
)
( resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 21 and name HB
or resid 66 and name HB#
or resid 94 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 152 and name HB
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HB#
or resid 1082 and name HB#
or resid 1095 and name HB#
or resid 1105 and name HG#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.618 peak=5909 ppm1=7.494 ppm2=1.754
assign ( resid 134 and name HN
)
( resid 3 and name HB
or resid 22 and name HB#
or resid 22 and name HB#
or resid 30 and name HA
or resid 95 and name HA
or resid 108 and name HB
or resid 129 and name HA
or resid 131 and name HA
or resid 139 and name HA
or resid 145 and name HA
or resid 155 and name HA
or resid 1082 and name HA
or resid 1102 and name HA
or resid 1105 and name HA
) 5.0 5.0 0.0 volume=0.615 peak=6001 ppm1=8.190 ppm2=4.156
assign ( resid 134 and name HE2#
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 45 and name HE#
or resid 45 and name HE#
or resid 45 and name HE#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 59 and name HB#
or resid 63 and name HB#
or resid 94 and name HB#
or resid 107 and name HB#
or resid 129 and name HB#
or resid 129 and name HG
or resid 135 and name HB#
or resid 137 and name HB
or resid 140 and name HB#
or resid 144 and name HB#
or resid 147 and name HG#
or resid 149 and name HG
or resid 150 and name HB#
or resid 182 and name HB#
or resid 183 and name HB#
or resid 1099 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HB
or resid 1114 and name HB#
) 5.0 5.0 0.0 volume=0.408 peak=6415 ppm1=7.532 ppm2=1.920
assign ( resid 135 and name HN
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.344 peak=6414 ppm1=8.049 ppm2=0.749
assign ( resid 142 and name HN
)
( resid 2 and name HE2#
or resid 26 and name HD2#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 74 and name HE2#
or resid 90 and name HZ
or resid 134 and name HE2#
or resid 1081 and name HZ
or resid 1103 and name HZ2
) 5.0 5.0 0.0 volume=0.407 peak=5999 ppm1=7.625 ppm2=6.856
assign ( resid 143 and name HN
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 63 and name HA
or resid 124 and name HB#
or resid 128 and name HA
or resid 140 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 166 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=0.942 peak=5354 ppm1=8.867 ppm2=4.038
assign ( resid 145 and name HN
)
( resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=0.407 peak=5997 ppm1=7.379 ppm2=1.247
assign ( resid 145 and name HN
)
( resid 2 and name HE2#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HE#
or resid 90 and name HZ
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 169 and name HE#
or resid 1081 and name HZ
) 5.0 5.0 0.0 volume=0.458 peak=5601 ppm1=7.386 ppm2=6.844
assign ( resid 147 and name HN
)
( resid 120 and name HN
or resid 144 and name HN
or resid 145 and name HN
or resid 167 and name HD2#
or resid 168 and name HN
or resid 1085 and name HN
or resid 1093 and name HN
) 5.0 5.0 0.0 volume=0.502 peak=5918 ppm1=7.811 ppm2=7.361
assign ( resid 147 and name HN
)
( resid 61 and name HN
or resid 105 and name HN
or resid 146 and name HN
or resid 148 and name HN
or resid 173 and name HN
or resid 183 and name HN
or resid 1091 and name HN
or resid 1116 and name HN
) 3.5 3.5 0.0 volume=1.528 peak=5917 ppm1=7.809 ppm2=8.526
assign ( resid 148 and name HN
)
( resid 2 and name HG#
or resid 2 and name HG#
or resid 20 and name HG
or resid 49 and name HB#
or resid 74 and name HG#
or resid 81 and name HB#
or resid 91 and name HB#
or resid 98 and name HB
or resid 123 and name HG#
or resid 123 and name HG#
or resid 162 and name HB#
or resid 162 and name HG#
or resid 1082 and name HG#
or resid 1090 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 5.0 5.0 0.0 volume=1.037 peak=5440 ppm1=8.547 ppm2=2.229
assign ( resid 149 and name HN
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
) 3.5 3.5 0.0 volume=1.227 peak=5823 ppm1=8.452 ppm2=0.828
assign ( resid 152 and name HN
)
( resid 3 and name HN
or resid 30 and name HN
or resid 42 and name HN
or resid 101 and name HN
or resid 110 and name HN
or resid 126 and name HN
or resid 151 and name HN
or resid 158 and name HN
or resid 1092 and name HN
or resid 1113 and name HN
) 5.0 5.0 0.0 volume=0.437 peak=5748 ppm1=8.852 ppm2=8.275
assign ( resid 152 and name HN
)
( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 153 and name HN
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1103 and name HD1
or resid 1108 and name HE2#
or resid 1117 and name HE2#
) 5.0 5.0 0.0 volume=0.810 peak=5742 ppm1=8.850 ppm2=6.931
assign ( resid 152 and name HN
)
( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 96 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 1078 and name HG#
) 5.0 5.0 0.0 volume=0.448 peak=5747 ppm1=8.847 ppm2=0.695
assign ( resid 152 and name HN
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HB#
or resid 111 and name HG
or resid 112 and name HB#
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 145 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=0.395 peak=5749 ppm1=8.852 ppm2=1.509
assign ( resid 153 and name HN
)
( resid 6 and name HB#
or resid 6 and name HB#
or resid 23 and name HB#
or resid 26 and name HB#
or resid 32 and name HB#
or resid 32 and name HB#
or resid 68 and name HD#
or resid 68 and name HD#
or resid 104 and name HB#
or resid 107 and name HE#
or resid 107 and name HE#
or resid 110 and name HB#
or resid 128 and name HE#
or resid 128 and name HE#
or resid 131 and name HE#
or resid 131 and name HE#
or resid 132 and name HB#
or resid 133 and name HE#
or resid 133 and name HE#
or resid 144 and name HE#
or resid 144 and name HE#
or resid 150 and name HE#
or resid 150 and name HE#
or resid 151 and name HA
or resid 183 and name HE#
or resid 183 and name HE#
or resid 184 and name HE#
or resid 184 and name HE#
or resid 1086 and name HB#
or resid 1100 and name HD#
or resid 1114 and name HE#
or resid 1114 and name HE#
or resid 1118 and name HE#
or resid 1118 and name HE#
) 5.0 5.0 0.0 volume=0.542 peak=5988 ppm1=6.961 ppm2=3.051
assign ( resid 156 and name HN
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
) 5.0 5.0 0.0 volume=0.536 peak=5987 ppm1=8.131 ppm2=0.892
assign ( resid 157 and name HN
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=0.924 peak=5329 ppm1=8.853 ppm2=1.289
assign ( resid 157 and name HN
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 165 and name HG
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 177 and name HG
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
) 5.0 5.0 0.0 volume=0.441 peak=5326 ppm1=8.848 ppm2=1.777
assign ( resid 158 and name HN
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HB#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=0.438 peak=5362 ppm1=8.310 ppm2=1.244
assign ( resid 158 and name HN
)
( resid 25 and name HB
or resid 30 and name HB#
or resid 35 and name HA
or resid 117 and name HA
or resid 125 and name HB
or resid 139 and name HD#
or resid 141 and name HA
or resid 142 and name HA
or resid 164 and name HA#
or resid 165 and name HA
or resid 174 and name HA
or resid 180 and name HD#
or resid 182 and name HD#
or resid 1073 and name HA#
or resid 1074 and name HB#
or resid 1074 and name HB#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1115 and name HB#
or resid 1115 and name HB#
) 5.0 5.0 0.0 volume=0.487 peak=5359 ppm1=8.302 ppm2=3.908
assign ( resid 159 and name HN
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 52 and name HG2#
or resid 53 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1112 and name HG1#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
or resid 1113 and name HG2#
) 5.0 5.0 0.0 volume=-0.363 peak=6410 ppm1=9.427 ppm2=1.267
assign ( resid 160 and name HN
)
( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
) 5.0 5.0 0.0 volume=0.625 peak=5983 ppm1=7.512 ppm2=0.574
assign ( resid 161 and name HN
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 63 and name HB#
or resid 70 and name HG
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HB#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1112 and name HG1#
) 3.5 3.5 0.0 volume=-1.271 peak=5734 ppm1=8.106 ppm2=1.200
assign ( resid 161 and name HN
)
( resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 56 and name HE#
or resid 75 and name HN
or resid 132 and name HD2#
or resid 132 and name HN
or resid 160 and name HN
or resid 162 and name HE2#
or resid 162 and name HN
or resid 165 and name HN
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1096 and name HD#
or resid 1105 and name HE
) 5.0 5.0 0.0 volume=-0.956 peak=5732 ppm1=8.104 ppm2=7.478
assign ( resid 162 and name HE2#
)
( resid 9 and name HB
or resid 31 and name HB#
or resid 106 and name HB#
or resid 107 and name HB#
or resid 126 and name HB
or resid 131 and name HB#
or resid 140 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 179 and name HB#
or resid 180 and name HB#
or resid 181 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1112 and name HB
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=0.349 peak=6421 ppm1=7.485 ppm2=1.985
assign ( resid 162 and name HE2#
)
( resid 9 and name HB
or resid 31 and name HB#
or resid 45 and name HB#
or resid 45 and name HB#
or resid 106 and name HB#
or resid 107 and name HB#
or resid 126 and name HB
or resid 131 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 179 and name HB#
or resid 180 and name HB#
or resid 181 and name HB#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1112 and name HB
or resid 1116 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=0.374 peak=6400 ppm1=7.167 ppm2=1.995
assign ( resid 162 and name HE2#
)
( resid 9 and name HA
or resid 26 and name HA
or resid 37 and name HA
or resid 46 and name HA
or resid 56 and name HA
or resid 82 and name HA
or resid 109 and name HA
or resid 138 and name HA
or resid 178 and name HA
or resid 181 and name HA
or resid 1088 and name HA#
or resid 1090 and name HA
) 5.0 5.0 0.0 volume=0.526 peak=6396 ppm1=7.496 ppm2=4.622
assign ( resid 162 and name HE2#
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 21 and name HG1#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.411 peak=6399 ppm1=7.166 ppm2=1.171
assign ( resid 162 and name HE2#
)
( resid 9 and name HA
or resid 26 and name HA
or resid 37 and name HA
or resid 46 and name HA
or resid 56 and name HA
or resid 82 and name HA
or resid 109 and name HA
or resid 138 and name HA
or resid 178 and name HA
or resid 181 and name HA
or resid 1088 and name HA#
) 5.0 5.0 0.0 volume=0.554 peak=6398 ppm1=7.158 ppm2=4.632
assign ( resid 163 and name HN
)
( resid 4 and name HA
or resid 25 and name HA
or resid 27 and name HA
or resid 61 and name HA
or resid 65 and name HA
or resid 89 and name HB#
or resid 89 and name HB#
or resid 107 and name HA
or resid 123 and name HD#
or resid 136 and name HA
or resid 161 and name HB
or resid 182 and name HA
or resid 1077 and name HA
or resid 1098 and name HA#
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=0.366 peak=5702 ppm1=7.943 ppm2=4.465
assign ( resid 163 and name HN
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 94 and name HG#
or resid 94 and name HG#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 137 and name HG1#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 5.0 5.0 0.0 volume=0.998 peak=5701 ppm1=7.934 ppm2=1.321
assign ( resid 163 and name HN
)
( resid 40 and name HA
or resid 55 and name HA
or resid 156 and name HA
or resid 1086 and name HA
or resid 1096 and name HA
) 5.0 5.0 0.0 volume=0.583 peak=5699 ppm1=7.938 ppm2=5.482
assign ( resid 165 and name HN
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 70 and name HG
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=1.166 peak=5790 ppm1=7.482 ppm2=1.175
assign ( resid 166 and name HN
)
( resid 65 and name HB#
or resid 65 and name HB#
or resid 118 and name HB#
or resid 118 and name HB#
or resid 148 and name HB#
or resid 162 and name HB#
or resid 167 and name HB#
or resid 167 and name HB#
or resid 169 and name HB#
or resid 170 and name HB#
or resid 1081 and name HB#
) 5.0 5.0 0.0 volume=0.424 peak=6212 ppm1=8.740 ppm2=2.719
assign ( resid 167 and name HD2#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 117 and name HB
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 166 and name HB#
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=0.550 peak=6406 ppm1=7.354 ppm2=2.040
assign ( resid 169 and name HN
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 7 and name HB
or resid 19 and name HB#
or resid 29 and name HB#
or resid 44 and name HB
or resid 46 and name HB
or resid 66 and name HB#
or resid 68 and name HB#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 144 and name HD#
or resid 145 and name HB#
or resid 149 and name HB#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
) 5.0 5.0 0.0 volume=0.396 peak=6063 ppm1=6.622 ppm2=1.808
assign ( resid 170 and name HN
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 63 and name HA
or resid 66 and name HA
or resid 124 and name HB#
or resid 128 and name HA
or resid 140 and name HA
or resid 141 and name HB
or resid 144 and name HA
or resid 162 and name HA
or resid 166 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=0.385 peak=6061 ppm1=9.033 ppm2=4.047
assign ( resid 170 and name HN
)
( resid 31 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 55 and name HG
or resid 63 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 137 and name HB
or resid 145 and name HB#
or resid 147 and name HG#
or resid 156 and name HG#
or resid 166 and name HD#
or resid 184 and name HB#
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HG#
or resid 1106 and name HG
or resid 1114 and name HB#
or resid 1114 and name HB#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.492 peak=5628 ppm1=9.036 ppm2=1.871
assign ( resid 170 and name HN
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.718 peak=6058 ppm1=9.035 ppm2=1.023
assign ( resid 170 and name HN
)
( resid 169 and name HD#
or resid 169 and name HD#
or resid 169 and name HD#
or resid 169 and name HD#
or resid 169 and name HN
) 5.0 5.0 0.0 volume=1.013 peak=5388 ppm1=9.026 ppm2=6.633
assign ( resid 171 and name HN
)
( resid 46 and name HG1#
or resid 79 and name HG
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 172 and name HB#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1078 and name HG#
) 5.0 5.0 0.0 volume=0.461 peak=6052 ppm1=8.085 ppm2=1.389
assign ( resid 172 and name HN
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.430 peak=5971 ppm1=8.110 ppm2=1.008
assign ( resid 173 and name HN
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 44 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 117 and name HG2#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 126 and name HD1#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
) 5.0 5.0 0.0 volume=0.929 peak=1778 ppm1=8.556 ppm2=0.833
assign ( resid 173 and name HN
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 7 and name HB
or resid 29 and name HB#
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 145 and name HB#
or resid 149 and name HB#
or resid 156 and name HG#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HB#
) 5.0 5.0 0.0 volume=0.453 peak=6046 ppm1=8.572 ppm2=1.822
assign ( resid 175 and name HN
)
( resid 20 and name HN
or resid 23 and name HN
or resid 25 and name HN
or resid 26 and name HN
or resid 59 and name HN
or resid 95 and name HN
or resid 97 and name HZ2
or resid 117 and name HN
or resid 150 and name HN
or resid 177 and name HN
or resid 178 and name HN
or resid 1108 and name HN
) 5.0 5.0 0.0 volume=0.619 peak=5504 ppm1=7.917 ppm2=7.724
assign ( resid 175 and name HN
)
( resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1075 and name HD1#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.918 peak=5968 ppm1=7.922 ppm2=0.785
assign ( resid 175 and name HN
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 5.0 5.0 0.0 volume=0.489 peak=5969 ppm1=7.918 ppm2=0.969
assign ( resid 176 and name HN
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 177 and name HG
or resid 183 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
) 5.0 5.0 0.0 volume=0.455 peak=5966 ppm1=7.905 ppm2=1.785
assign ( resid 176 and name HN
)
( resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 19 and name HD#
or resid 46 and name HG1#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 149 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 174 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 1078 and name HG#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1085 and name HD1#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
or resid 1107 and name HD#
) 5.0 5.0 0.0 volume=0.888 peak=5967 ppm1=7.896 ppm2=0.757
assign ( resid 176 and name HN
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 5.0 5.0 0.0 volume=0.531 peak=5965 ppm1=7.906 ppm2=0.972
assign ( resid 178 and name HN
)
( resid 48 and name HA#
or resid 114 and name HA#
or resid 136 and name HD#
or resid 136 and name HD#
or resid 146 and name HA
or resid 179 and name HD#
or resid 180 and name HD#
or resid 182 and name HD#
or resid 1079 and name HB#
or resid 1092 and name HA
or resid 1098 and name HA#
) 5.0 5.0 0.0 volume=0.544 peak=5963 ppm1=7.739 ppm2=3.733
assign ( resid 1108 and name HE2#
)
( resid 31 and name HB#
or resid 45 and name HE#
or resid 45 and name HE#
or resid 45 and name HE#
or resid 106 and name HB#
or resid 107 and name HB#
or resid 126 and name HB
or resid 140 and name HB#
or resid 147 and name HB#
or resid 149 and name HG
or resid 155 and name HB
or resid 180 and name HB#
or resid 181 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HB
or resid 1116 and name HB#
) 6.0 6.0 0.0 volume=0.142 peak=1291 ppm1=7.583 ppm2=1.972
assign ( resid 1108 and name HE2#
)
( resid 3 and name HB
or resid 22 and name HB#
or resid 22 and name HB#
or resid 30 and name HA
or resid 48 and name HA#
or resid 86 and name HB#
or resid 95 and name HA
or resid 127 and name HA
or resid 129 and name HA
or resid 131 and name HA
or resid 139 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 155 and name HA
or resid 184 and name HA
or resid 1082 and name HA
or resid 1105 and name HA
) 5.0 5.0 0.0 volume=0.232 peak=1290 ppm1=7.581 ppm2=4.172
assign ( resid 1077 and name HN
)
( resid 45 and name HA
or resid 58 and name HA
or resid 83 and name HA
or resid 86 and name HA
) 5.0 5.0 0.0 volume=0.224 peak=322 ppm1=8.251 ppm2=5.237
assign ( resid 1076 and name HN
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 68 and name HB#
or resid 106 and name HB#
or resid 123 and name HB#
or resid 126 and name HB
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 6.0 6.0 0.0 volume=0.160 peak=181 ppm1=8.946 ppm2=2.025
assign ( resid 1077 and name HN
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 94 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HG
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HG
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
) 5.0 5.0 0.0 volume=0.730 peak=589 ppm1=8.249 ppm2=1.768
assign ( resid 1082 and name HN
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 79 and name HG
or resid 94 and name HG#
or resid 94 and name HG#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 137 and name HG1#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 1100 and name HG#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
or resid 1109 and name HG2#
) 6.0 6.0 0.0 volume=0.194 peak=158 ppm1=8.688 ppm2=1.342
assign ( resid 1084 and name HN
)
( resid 4 and name HN
or resid 9 and name HN
or resid 22 and name HN
or resid 41 and name HN
or resid 82 and name HN
or resid 88 and name HN
or resid 170 and name HN
or resid 1083 and name HN
or resid 1101 and name HN
) 5.0 5.0 0.0 volume=0.208 peak=1273 ppm1=8.081 ppm2=9.013
assign ( resid 1085 and name HN
)
( resid 4 and name HG1#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.389 peak=620 ppm1=7.397 ppm2=1.094
assign ( resid 1085 and name HN
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 133 and name HA
or resid 137 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1110 and name HB#
) 5.0 5.0 0.0 volume=0.366 peak=627 ppm1=7.399 ppm2=3.988
assign ( resid 1085 and name HN
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 111 and name HB#
or resid 111 and name HG
or resid 112 and name HB#
or resid 128 and name HG#
or resid 145 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 183 and name HG#
or resid 183 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=0.315 peak=622 ppm1=7.394 ppm2=1.519
assign ( resid 1085 and name HN
)
( resid 27 and name HN
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 64 and name HD#
or resid 64 and name HD#
or resid 121 and name HN
or resid 162 and name HE2#
or resid 1089 and name HZ
) 5.0 5.0 0.0 volume=0.218 peak=76 ppm1=7.391 ppm2=7.162
assign ( resid 1086 and name HN
)
( resid 11 and name HN
or resid 103 and name HE1
or resid 127 and name HN
or resid 155 and name HN
or resid 181 and name HN
or resid 1087 and name HN
) 6.0 6.0 0.0 volume=0.166 peak=173 ppm1=8.878 ppm2=8.345
assign ( resid 1087 and name HN
)
( resid 27 and name HN
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 64 and name HD#
or resid 64 and name HD#
or resid 121 and name HN
or resid 162 and name HE2#
or resid 1089 and name HZ
) 5.0 5.0 0.0 volume=0.255 peak=122 ppm1=8.395 ppm2=7.166
assign ( resid 1089 and name HN
)
( resid 40 and name HA
or resid 156 and name HA
or resid 1086 and name HA
or resid 1096 and name HA
) 6.0 6.0 0.0 volume=0.150 peak=256 ppm1=8.617 ppm2=5.489
assign ( resid 1090 and name HN
)
( resid 48 and name HN
or resid 105 and name HN
or resid 130 and name HN
or resid 173 and name HN
or resid 183 and name HN
or resid 1089 and name HN
or resid 1091 and name HN
) 5.0 5.0 0.0 volume=0.320 peak=117 ppm1=7.993 ppm2=8.583
assign ( resid 1091 and name HN
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 63 and name HB#
or resid 79 and name HB#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 6.0 6.0 0.0 volume=0.196 peak=136 ppm1=8.584 ppm2=1.131
assign ( resid 1091 and name HN
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.348 peak=132 ppm1=8.584 ppm2=1.024
assign ( resid 1093 and name HN
)
( resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 82 and name HB#
or resid 90 and name HB#
or resid 92 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 110 and name HB#
or resid 121 and name HB#
or resid 148 and name HB#
or resid 153 and name HE#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 6.0 6.0 0.0 volume=-0.180 peak=490 ppm1=7.373 ppm2=2.909
assign ( resid 1093 and name HN
)
( resid 29 and name HA
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 147 and name HA
or resid 159 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=-0.828 peak=493 ppm1=7.380 ppm2=4.254
assign ( resid 1093 and name HN
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 124 and name HB#
or resid 128 and name HA
or resid 133 and name HA
or resid 140 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 176 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1104 and name HA
) 6.0 6.0 0.0 volume=-0.190 peak=492 ppm1=7.379 ppm2=4.017
assign ( resid 1094 and name HN
)
( resid 3 and name HN
or resid 30 and name HN
or resid 42 and name HN
or resid 101 and name HN
or resid 110 and name HN
or resid 126 and name HN
or resid 151 and name HN
or resid 158 and name HN
or resid 1092 and name HN
or resid 1113 and name HN
) 5.0 5.0 0.0 volume=0.387 peak=485 ppm1=8.417 ppm2=8.272
assign ( resid 1094 and name HN
)
( resid 10 and name HN
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 72 and name HN
or resid 153 and name HN
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1089 and name HE#
or resid 1108 and name HE2#
or resid 1111 and name HD2#
) 6.0 6.0 0.0 volume=0.164 peak=479 ppm1=8.417 ppm2=6.948
assign ( resid 1094 and name HN
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 137 and name HG1#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 6.0 6.0 0.0 volume=0.196 peak=472 ppm1=8.414 ppm2=0.920
assign ( resid 1094 and name HN
)
( resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 82 and name HB#
or resid 90 and name HB#
or resid 92 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 110 and name HB#
or resid 121 and name HB#
or resid 148 and name HB#
or resid 153 and name HE#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 6.0 6.0 0.0 volume=0.178 peak=475 ppm1=8.425 ppm2=2.910
assign ( resid 1094 and name HN
)
( resid 29 and name HA
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 147 and name HA
or resid 159 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1099 and name HA
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.559 peak=502 ppm1=8.420 ppm2=4.257
assign ( resid 1094 and name HN
)
( resid 2 and name HG#
or resid 2 and name HG#
or resid 20 and name HG
or resid 49 and name HB#
or resid 74 and name HG#
or resid 81 and name HB#
or resid 91 and name HB#
or resid 98 and name HB
or resid 123 and name HG#
or resid 123 and name HG#
or resid 162 and name HB#
or resid 162 and name HG#
or resid 1082 and name HG#
or resid 1090 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 5.0 5.0 0.0 volume=0.227 peak=474 ppm1=8.424 ppm2=2.231
assign ( resid 1095 and name HN
)
( resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 82 and name HB#
or resid 90 and name HB#
or resid 92 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 110 and name HB#
or resid 121 and name HB#
or resid 148 and name HB#
or resid 153 and name HE#
or resid 157 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1090 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.467 peak=385 ppm1=7.135 ppm2=2.907
assign ( resid 1095 and name HN
)
( resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 63 and name HB#
or resid 79 and name HB#
or resid 101 and name HG1#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.206 peak=383 ppm1=7.132 ppm2=1.142
assign ( resid 1095 and name HN
)
( resid 2 and name HG#
or resid 2 and name HG#
or resid 20 and name HG
or resid 49 and name HB#
or resid 81 and name HB#
or resid 98 and name HB
or resid 109 and name HG#
or resid 109 and name HG#
or resid 112 and name HB#
or resid 113 and name HB
or resid 143 and name HB#
or resid 162 and name HB#
or resid 162 and name HG#
or resid 1082 and name HG#
or resid 1090 and name HB#
or resid 1095 and name HG#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 5.0 5.0 0.0 volume=1.068 peak=381 ppm1=7.132 ppm2=2.202
assign ( resid 1095 and name HN
)
( resid 17 and name HA
or resid 23 and name HA
or resid 29 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 62 and name HA
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 159 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.414 peak=389 ppm1=7.137 ppm2=4.239
assign ( resid 1096 and name HN
)
( resid 93 and name HN
or resid 102 and name HN
or resid 119 and name HN
or resid 128 and name HN
or resid 163 and name HN
or resid 1090 and name HN
or resid 1107 and name HN
) 6.0 6.0 0.0 volume=0.152 peak=271 ppm1=8.797 ppm2=7.954
assign ( resid 1096 and name HN
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 63 and name HB#
or resid 79 and name HB#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1093 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 6.0 6.0 0.0 volume=0.186 peak=31 ppm1=8.802 ppm2=1.131
assign ( resid 1096 and name HN
)
( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1087 and name HB
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
) 5.0 5.0 0.0 volume=0.734 peak=260 ppm1=8.799 ppm2=2.081
assign ( resid 1099 and name HN
)
( resid 72 and name HA
or resid 185 and name H3'
or resid 1097 and name HA
) 5.0 5.0 0.0 volume=0.573 peak=319 ppm1=8.140 ppm2=4.700
assign ( resid 1099 and name HN
)
( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 63 and name HB#
or resid 79 and name HB#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1077 and name HD#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1084 and name HG2#
or resid 1085 and name HG1#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
or resid 1097 and name HG2#
) 5.0 5.0 0.0 volume=0.387 peak=305 ppm1=8.142 ppm2=1.129
assign ( resid 1099 and name HN
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HB#
or resid 111 and name HG
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 6.0 6.0 0.0 volume=0.160 peak=306 ppm1=8.140 ppm2=1.496
assign ( resid 1099 and name HN
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.323 peak=304 ppm1=8.142 ppm2=1.025
assign ( resid 1101 and name HN
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 106 and name HB#
or resid 123 and name HB#
or resid 126 and name HB
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 3.5 3.5 0.0 volume=1.345 peak=73 ppm1=9.068 ppm2=2.031
assign ( resid 1102 and name HN
)
( resid 83 and name HN
or resid 89 and name HN
or resid 112 and name HN
or resid 131 and name HN
or resid 156 and name HN
or resid 161 and name HN
or resid 171 and name HN
or resid 172 and name HN
or resid 184 and name HN
or resid 1081 and name HN
or resid 1099 and name HN
or resid 1104 and name HN
or resid 1112 and name HN
or resid 1118 and name HN
) 6.0 6.0 0.0 volume=0.163 peak=419 ppm1=9.138 ppm2=8.116
assign ( resid 1102 and name HN
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 31 and name HB#
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 68 and name HB#
or resid 106 and name HB#
or resid 126 and name HB
or resid 131 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=0.785 peak=409 ppm1=9.137 ppm2=2.019
assign ( resid 1102 and name HN
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HB#
or resid 111 and name HG
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 6.0 6.0 0.0 volume=0.152 peak=408 ppm1=9.137 ppm2=1.495
assign ( resid 1102 and name HE2#
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 137 and name HG1#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 5.0 5.0 0.0 volume=0.218 peak=1286 ppm1=6.982 ppm2=0.917
assign ( resid 1102 and name HE2#
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 5.0 5.0 0.0 volume=0.215 peak=1289 ppm1=7.592 ppm2=0.915
assign ( resid 1103 and name HN
)
( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HD#
or resid 101 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1075 and name HG2#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1087 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1100 and name HB#
) 5.0 5.0 0.0 volume=0.219 peak=361 ppm1=7.296 ppm2=1.024
assign ( resid 1103 and name HN
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HB#
or resid 111 and name HG
or resid 112 and name HB#
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 5.0 5.0 0.0 volume=0.261 peak=362 ppm1=7.298 ppm2=1.498
assign ( resid 1103 and name HN
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 9 and name HB
or resid 19 and name HG
or resid 31 and name HB#
or resid 33 and name HB
or resid 45 and name HB#
or resid 45 and name HB#
or resid 68 and name HB#
or resid 106 and name HB#
or resid 123 and name HB#
or resid 126 and name HB
or resid 131 and name HB#
or resid 131 and name HB#
or resid 139 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 155 and name HB
or resid 156 and name HB#
or resid 156 and name HB#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 179 and name HB#
or resid 1082 and name HG#
or resid 1095 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1101 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=0.331 peak=363 ppm1=7.298 ppm2=2.024
assign ( resid 1103 and name HE1
)
( resid 18 and name HB#
or resid 29 and name HB#
or resid 31 and name HG#
or resid 31 and name HG#
or resid 37 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 77 and name HB
or resid 87 and name HB#
or resid 87 and name HB#
or resid 91 and name HB#
or resid 95 and name HB#
or resid 107 and name HB#
or resid 109 and name HG#
or resid 109 and name HG#
or resid 112 and name HG
or resid 113 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 133 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 143 and name HB#
or resid 153 and name HB#
or resid 179 and name HG#
or resid 179 and name HG#
or resid 1087 and name HB
or resid 1095 and name HG#
or resid 1101 and name HB#
or resid 1102 and name HB#
or resid 1102 and name HB#
or resid 1116 and name HB#
or resid 1117 and name HB#
) 5.0 5.0 0.0 volume=0.331 peak=66 ppm1=9.781 ppm2=2.137
assign ( resid 1103 and name HE1
)
( resid 9 and name HA
or resid 58 and name HB
or resid 82 and name HA
or resid 106 and name HA
or resid 1074 and name HA
or resid 1076 and name HA
or resid 1090 and name HA
or resid 1103 and name HA
or resid 1110 and name HA
or resid 1115 and name HA
) 5.0 5.0 0.0 volume=0.280 peak=67 ppm1=9.780 ppm2=4.574
assign ( resid 1103 and name HE1
)
( resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HG1#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 6.0 6.0 0.0 volume=0.179 peak=65 ppm1=9.779 ppm2=0.932
assign ( resid 1103 and name HE1
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 64 and name HN
or resid 67 and name HN
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 104 and name HN
or resid 1085 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1103 and name HE3
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=0.204 peak=70 ppm1=9.778 ppm2=7.272
assign ( resid 1103 and name HE1
)
( resid 70 and name HB#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 137 and name HG2#
or resid 137 and name HG2#
or resid 137 and name HG2#
) 5.0 5.0 0.0 volume=0.239 peak=63 ppm1=9.776 ppm2=0.343
assign ( resid 1103 and name HE1
)
( resid 2 and name HE2#
or resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 26 and name HD2#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 58 and name HN
or resid 74 and name HE2#
or resid 134 and name HE2#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1081 and name HD#
or resid 1103 and name HD1
or resid 1103 and name HZ2
or resid 1117 and name HE2#
) 2.8 2.8 0.0 volume=4.897 peak=69 ppm1=9.779 ppm2=6.889
assign ( resid 1104 and name HN
)
( resid 31 and name HB#
or resid 45 and name HE#
or resid 45 and name HE#
or resid 45 and name HE#
or resid 94 and name HB#
or resid 106 and name HB#
or resid 107 and name HB#
or resid 126 and name HB
or resid 135 and name HB#
or resid 140 and name HB#
or resid 149 and name HG
or resid 180 and name HB#
or resid 181 and name HB#
or resid 182 and name HB#
or resid 1099 and name HB#
or resid 1100 and name HB#
or resid 1105 and name HB#
or resid 1105 and name HB#
or resid 1106 and name HB#
or resid 1112 and name HB
or resid 1116 and name HB#
) 5.0 5.0 0.0 volume=0.933 peak=235 ppm1=8.143 ppm2=1.966
assign ( resid 1104 and name HN
)
( resid 19 and name HA
or resid 30 and name HB#
or resid 88 and name HB#
or resid 88 and name HB#
or resid 91 and name HA
or resid 124 and name HB#
or resid 128 and name HA
or resid 133 and name HA
or resid 140 and name HA
or resid 144 and name HA
or resid 162 and name HA
or resid 171 and name HA
or resid 176 and name HA
or resid 1076 and name HB#
or resid 1076 and name HB#
or resid 1084 and name HA
or resid 1094 and name HA#
or resid 1101 and name HA
or resid 1104 and name HA
) 5.0 5.0 0.0 volume=0.797 peak=242 ppm1=8.141 ppm2=4.023
assign ( resid 1105 and name HN
)
( resid 32 and name HD#
or resid 32 and name HD#
or resid 64 and name HN
or resid 67 and name HN
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 104 and name HN
or resid 1085 and name HN
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1096 and name HE#
or resid 1103 and name HE3
or resid 1103 and name HN
) 5.0 5.0 0.0 volume=0.216 peak=93 ppm1=7.902 ppm2=7.268
assign ( resid 1106 and name HN
)
( resid 4 and name HB
or resid 4 and name HG1#
or resid 10 and name HA#
or resid 21 and name HB
or resid 94 and name HB#
or resid 128 and name HD#
or resid 128 and name HG#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 152 and name HB
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1077 and name HB#
or resid 1082 and name HB#
or resid 1095 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 5.0 5.0 0.0 volume=0.288 peak=349 ppm1=7.629 ppm2=1.722
assign ( resid 1106 and name HN
)
( resid 17 and name HA
or resid 23 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 129 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 184 and name HA
or resid 1082 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.974 peak=509 ppm1=7.631 ppm2=4.214
assign ( resid 1107 and name HN
)
( resid 20 and name HG
or resid 49 and name HG#
or resid 74 and name HB#
or resid 74 and name HG#
or resid 91 and name HB#
or resid 95 and name HG#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 123 and name HG#
or resid 123 and name HG#
or resid 150 and name HB#
or resid 162 and name HB#
or resid 1095 and name HG#
or resid 1108 and name HB#
or resid 1108 and name HB#
) 6.0 6.0 0.0 volume=0.152 peak=342 ppm1=8.007 ppm2=2.254
assign ( resid 1107 and name HN
)
( resid 17 and name HA
or resid 23 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 129 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 184 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=1.143 peak=567 ppm1=8.007 ppm2=4.216
assign ( resid 1107 and name HN
)
( resid 4 and name HB
or resid 4 and name HG1#
or resid 10 and name HA#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 21 and name HB
or resid 66 and name HB#
or resid 94 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 128 and name HD#
or resid 128 and name HG#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 152 and name HB
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1077 and name HB#
or resid 1082 and name HB#
or resid 1095 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 3.5 3.5 0.0 volume=1.277 peak=336 ppm1=8.006 ppm2=1.729
assign ( resid 1107 and name HN
)
( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 137 and name HG1#
or resid 160 and name HG
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 1075 and name HG1#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1085 and name HG2#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1092 and name HG#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1106 and name HD#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HD1#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
or resid 1112 and name HG2#
) 5.0 5.0 0.0 volume=0.285 peak=334 ppm1=8.007 ppm2=0.922
assign ( resid 1108 and name HN
)
( resid 4 and name HB
or resid 4 and name HG1#
or resid 10 and name HA#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 21 and name HB
or resid 66 and name HB#
or resid 94 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 128 and name HD#
or resid 128 and name HG#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 152 and name HB
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 184 and name HD#
or resid 184 and name HD#
or resid 1077 and name HB#
or resid 1077 and name HB#
or resid 1082 and name HB#
or resid 1095 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HG
or resid 1114 and name HD#
or resid 1114 and name HD#
or resid 1118 and name HB#
or resid 1118 and name HD#
or resid 1118 and name HD#
) 5.0 5.0 0.0 volume=0.477 peak=323 ppm1=7.768 ppm2=1.730
assign ( resid 1108 and name HN
)
( resid 68 and name HN
or resid 100 and name HN
or resid 108 and name HN
or resid 1102 and name HE2#
or resid 1106 and name HN
or resid 1108 and name HE2#
) 5.0 5.0 0.0 volume=0.254 peak=332 ppm1=7.769 ppm2=7.585
assign ( resid 1108 and name HN
)
( resid 65 and name HN
or resid 125 and name HN
or resid 128 and name HN
or resid 135 and name HN
or resid 167 and name HD2#
or resid 184 and name HN
or resid 1084 and name HN
or resid 1107 and name HN
or resid 1109 and name HN
or resid 1118 and name HN
) 5.0 5.0 0.0 volume=0.780 peak=333 ppm1=7.769 ppm2=8.030
assign ( resid 1108 and name HN
)
( resid 1 and name HG#
or resid 1 and name HG#
or resid 23 and name HB#
or resid 45 and name HG#
or resid 45 and name HG#
or resid 51 and name HB#
or resid 81 and name HB#
or resid 85 and name HB
or resid 100 and name HG#
or resid 100 and name HG#
or resid 106 and name HB#
or resid 121 and name HB#
or resid 139 and name HB#
or resid 170 and name HB#
or resid 171 and name HG#
or resid 1086 and name HB#
or resid 1102 and name HG#
or resid 1108 and name HG#
or resid 1108 and name HG#
) 5.0 5.0 0.0 volume=0.534 peak=329 ppm1=7.770 ppm2=2.540
assign ( resid 1108 and name HE2#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 165 and name HG
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 177 and name HG
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
or resid 1077 and name HG
or resid 1078 and name HB#
or resid 1082 and name HB#
or resid 1105 and name HG#
or resid 1107 and name HB#
or resid 1114 and name HD#
or resid 1114 and name HD#
) 6.0 6.0 0.0 volume=0.151 peak=611 ppm1=7.582 ppm2=1.777
assign ( resid 1108 and name HE2#
)
( resid 21 and name HG1#
or resid 27 and name HB#
or resid 107 and name HG#
or resid 107 and name HG#
or resid 111 and name HB#
or resid 111 and name HG
or resid 128 and name HG#
or resid 135 and name HG#
or resid 144 and name HG#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 146 and name HB#
or resid 153 and name HD#
or resid 153 and name HD#
or resid 184 and name HG#
or resid 184 and name HG#
or resid 1085 and name HG1#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1091 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1104 and name HB#
or resid 1112 and name HG1#
or resid 1114 and name HG#
or resid 1114 and name HG#
) 6.0 6.0 0.0 volume=0.185 peak=592 ppm1=7.582 ppm2=1.496
assign ( resid 1109 and name HN
)
( resid 17 and name HA
or resid 23 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 184 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.417 peak=464 ppm1=8.089 ppm2=4.225
assign ( resid 1109 and name HN
)
( resid 1 and name HA
or resid 22 and name HA
or resid 80 and name HA
or resid 119 and name HA
or resid 148 and name HA
or resid 149 and name HA
or resid 153 and name HA
or resid 1085 and name HA
or resid 1108 and name HA
or resid 1109 and name HA
or resid 1109 and name HB
or resid 1113 and name HA
or resid 1114 and name HA
or resid 1117 and name HA
) 3.5 3.5 0.0 volume=2.529 peak=585 ppm1=8.089 ppm2=4.393
assign ( resid 1110 and name HN
)
( resid 17 and name HA
or resid 23 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 184 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1100 and name HA
or resid 1105 and name HA
or resid 1106 and name HA
or resid 1107 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 5.0 5.0 0.0 volume=0.229 peak=281 ppm1=8.240 ppm2=4.225
assign ( resid 1110 and name HN
)
( resid 79 and name HA
or resid 92 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
or resid 1075 and name HA
or resid 1079 and name HA
or resid 1111 and name HA
) 5.0 5.0 0.0 volume=0.751 peak=286 ppm1=8.240 ppm2=4.807
assign ( resid 1110 and name HN
)
( resid 1 and name HA
or resid 22 and name HA
or resid 80 and name HA
or resid 148 and name HA
or resid 149 and name HA
or resid 153 and name HA
or resid 1085 and name HA
or resid 1108 and name HA
or resid 1109 and name HA
or resid 1109 and name HB
or resid 1113 and name HA
or resid 1114 and name HA
or resid 1116 and name HA
or resid 1117 and name HA
) 3.5 3.5 0.0 volume=1.809 peak=282 ppm1=8.240 ppm2=4.388
assign ( resid 1110 and name HN
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 3.5 3.5 0.0 volume=1.510 peak=280 ppm1=8.240 ppm2=3.963
assign ( resid 1111 and name HN
)
( resid 22 and name HA
or resid 80 and name HA
or resid 148 and name HA
or resid 149 and name HA
or resid 153 and name HA
or resid 1085 and name HA
or resid 1108 and name HA
or resid 1109 and name HA
or resid 1109 and name HB
or resid 1113 and name HA
or resid 1114 and name HA
or resid 1116 and name HA
or resid 1117 and name HA
) 6.0 6.0 0.0 volume=0.167 peak=215 ppm1=8.463 ppm2=4.384
assign ( resid 1111 and name HD2#
)
( resid 22 and name HA
or resid 80 and name HA
or resid 148 and name HA
or resid 149 and name HA
or resid 153 and name HA
or resid 1085 and name HA
or resid 1108 and name HA
or resid 1109 and name HA
or resid 1109 and name HB
or resid 1113 and name HA
or resid 1114 and name HA
or resid 1116 and name HA
or resid 1117 and name HA
) 6.0 6.0 0.0 volume=0.156 peak=602 ppm1=7.666 ppm2=4.382
assign ( resid 1111 and name HD2#
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 84 and name HB
or resid 122 and name HB#
or resid 153 and name HE#
or resid 154 and name HB#
or resid 154 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1089 and name HB#
or resid 1089 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.250 peak=607 ppm1=6.974 ppm2=2.837
assign ( resid 1111 and name HD2#
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 84 and name HB
or resid 90 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 122 and name HB#
or resid 153 and name HE#
or resid 154 and name HB#
or resid 154 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1089 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.593 peak=603 ppm1=7.661 ppm2=2.847
assign ( resid 1112 and name HN
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 125 and name HB
or resid 137 and name HA
or resid 142 and name HA
or resid 180 and name HD#
or resid 1073 and name HA#
or resid 1079 and name HB#
or resid 1084 and name HB
or resid 1110 and name HB#
or resid 1110 and name HB#
) 6.0 6.0 0.0 volume=0.156 peak=231 ppm1=8.141 ppm2=3.958
assign ( resid 1112 and name HN
)
( resid 11 and name HB#
or resid 11 and name HB#
or resid 84 and name HB
or resid 90 and name HB#
or resid 94 and name HE#
or resid 94 and name HE#
or resid 122 and name HB#
or resid 153 and name HE#
or resid 154 and name HB#
or resid 154 and name HB#
or resid 1080 and name HB#
or resid 1080 and name HB#
or resid 1081 and name HB#
or resid 1083 and name HB#
or resid 1089 and name HB#
or resid 1111 and name HB#
) 5.0 5.0 0.0 volume=0.241 peak=229 ppm1=8.141 ppm2=2.851
assign ( resid 1113 and name HN
)
( resid 29 and name HA
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 147 and name HA
or resid 159 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
or resid 177 and name HA
or resid 1093 and name HB
or resid 1097 and name HB
or resid 1099 and name HA
or resid 1100 and name HA
or resid 1106 and name HA
or resid 1112 and name HA
or resid 1113 and name HB
or resid 1118 and name HA
) 3.5 3.5 0.0 volume=1.959 peak=298 ppm1=8.288 ppm2=4.258
assign ( resid 1113 and name HN
)
( resid 79 and name HA
or resid 92 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
or resid 1075 and name HA
or resid 1079 and name HA
or resid 1111 and name HA
) 5.0 5.0 0.0 volume=0.482 peak=299 ppm1=8.288 ppm2=4.809
assign ( resid 1114 and name HN
)
( resid 80 and name HA
or resid 130 and name HA
or resid 148 and name HA
or resid 153 and name HA
or resid 183 and name HA
or resid 1085 and name HA
or resid 1108 and name HA
or resid 1109 and name HA
or resid 1109 and name HB
or resid 1113 and name HA
or resid 1116 and name HA
or resid 1117 and name HA
) 3.5 3.5 0.0 volume=1.690 peak=201 ppm1=8.416 ppm2=4.375
assign ( resid 1115 and name HN
)
( resid 79 and name HA
or resid 92 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
or resid 1075 and name HA
or resid 1079 and name HA
or resid 1111 and name HA
) 5.0 5.0 0.0 volume=0.721 peak=275 ppm1=8.431 ppm2=4.810
assign ( resid 1117 and name HN
)
( resid 2 and name HA
or resid 80 and name HA
or resid 84 and name HA
or resid 96 and name HA
or resid 130 and name HA
or resid 148 and name HA
or resid 167 and name HA
or resid 183 and name HA
or resid 1080 and name HA
or resid 1085 and name HA
or resid 1108 and name HA
or resid 1109 and name HA
or resid 1109 and name HB
or resid 1113 and name HA
or resid 1116 and name HA
or resid 1117 and name HA
) 5.0 5.0 0.0 volume=0.659 peak=208 ppm1=8.418 ppm2=4.359
assign ( resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 5.0 5.0 0.0 volume=0.277 peak=2033 ppm1=-0.029 ppm2=6.034
assign ( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
)
( resid 64 and name HE#
or resid 64 and name HE#
or resid 72 and name HE#
or resid 72 and name HE#
) 5.0 5.0 0.0 volume=0.973 peak=5260 ppm1=0.443 ppm2=6.519
assign ( resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
)
( resid 28 and name HZ
or resid 39 and name HD2#
) 5.0 5.0 0.0 volume=0.294 peak=5246 ppm1=0.491 ppm2=5.912
assign ( resid 21 and name HG2#
or resid 21 and name HG2#
or resid 21 and name HG2#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
)
( resid 64 and name HE#
or resid 64 and name HE#
or resid 72 and name HE#
or resid 72 and name HE#
) 5.0 5.0 0.0 volume=0.791 peak=5261 ppm1=0.582 ppm2=6.519
assign ( resid 21 and name HG2#
or resid 21 and name HG2#
or resid 21 and name HG2#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
)
( resid 28 and name HZ
or resid 39 and name HD2#
) 5.0 5.0 0.0 volume=0.464 peak=5245 ppm1=0.597 ppm2=5.913
assign ( resid 21 and name HG2#
or resid 21 and name HG2#
or resid 21 and name HG2#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 96 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
)
( resid 64 and name HE#
or resid 64 and name HE#
or resid 72 and name HE#
or resid 72 and name HE#
) 3.5 3.5 0.0 volume=1.459 peak=5259 ppm1=0.615 ppm2=6.521
assign ( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 4 and name HG2#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 80 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 129 and name HD#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
)
( resid 5 and name HN
or resid 185 and name H1
) 5.0 5.0 0.0 volume=0.393 peak=2049 ppm1=0.719 ppm2=10.726
assign ( resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 77 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 96 and name HB#
or resid 96 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 119 and name HD#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 126 and name HG2#
or resid 137 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 173 and name HD1#
or resid 173 and name HD1#
or resid 173 and name HD1#
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 5.0 5.0 0.0 volume=0.646 peak=5242 ppm1=0.978 ppm2=6.034
assign ( resid 4 and name HG1#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 33 and name HG#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 35 and name HG2#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 42 and name HG#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 53 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 101 and name HG1#
or resid 152 and name HG#
or resid 152 and name HG#
or resid 152 and name HG#
)
( resid 5 and name HN
or resid 185 and name H1
) 5.0 5.0 0.0 volume=0.393 peak=2048 ppm1=1.038 ppm2=10.729
assign ( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 94 and name HG#
or resid 94 and name HG#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 137 and name HG1#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 5.0 5.0 0.0 volume=0.584 peak=5243 ppm1=1.336 ppm2=6.035
assign ( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 94 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HG
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
)
( resid 5 and name HN
or resid 185 and name H1
) 5.0 5.0 0.0 volume=0.336 peak=2074 ppm1=1.767 ppm2=10.734
assign ( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 150 and name HD#
or resid 150 and name HD#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 163 and name HD#
or resid 163 and name HD#
or resid 165 and name HG
or resid 177 and name HG
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
)
( resid 28 and name HZ
or resid 39 and name HD2#
) 5.0 5.0 0.0 volume=0.504 peak=5233 ppm1=1.770 ppm2=5.914
assign ( resid 97 and name HE1
)
( resid 23 and name HD#
or resid 23 and name HD#
or resid 72 and name HD#
or resid 72 and name HD#
or resid 97 and name HD1
or resid 169 and name HZ
) 5.0 5.0 0.0 volume=1.152 peak=5252 ppm1=11.691 ppm2=6.762
assign ( resid 97 and name HE1
)
( resid 20 and name HN
or resid 23 and name HN
or resid 26 and name HN
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 59 and name HN
or resid 85 and name HN
or resid 97 and name HZ2
or resid 103 and name HN
or resid 150 and name HN
) 5.0 5.0 0.0 volume=0.655 peak=5251 ppm1=11.694 ppm2=7.697
assign ( resid 21 and name HA
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 5.0 5.0 0.0 volume=0.634 peak=5241 ppm1=3.451 ppm2=6.035
assign ( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 105 and name HB#
or resid 126 and name HA
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 5.0 5.0 0.0 volume=0.971 peak=5240 ppm1=3.609 ppm2=6.034
assign ( resid 10 and name HA#
or resid 19 and name HA
or resid 20 and name HA
or resid 63 and name HA
or resid 66 and name HA
or resid 83 and name HB#
or resid 83 and name HB#
or resid 116 and name HA
or resid 124 and name HB#
or resid 140 and name HA
or resid 141 and name HB
or resid 166 and name HA
or resid 171 and name HA
or resid 176 and name HA
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 3.5 3.5 0.0 volume=3.369 peak=5238 ppm1=4.069 ppm2=6.035
assign ( resid 29 and name HA
or resid 33 and name HA
or resid 35 and name HB
or resid 44 and name HA
or resid 62 and name HA
or resid 73 and name HA
or resid 102 and name HB
or resid 103 and name HA
or resid 104 and name HA
or resid 124 and name HA
or resid 159 and name HA
or resid 170 and name HA
or resid 177 and name HA
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 3.5 3.5 0.0 volume=2.171 peak=5239 ppm1=4.285 ppm2=6.035
assign ( resid 17 and name HB
or resid 27 and name HA
or resid 31 and name HA
or resid 59 and name HA
or resid 61 and name HA
or resid 85 and name HA
or resid 107 and name HA
or resid 118 and name HA
or resid 123 and name HD#
or resid 136 and name HA
or resid 161 and name HB
or resid 180 and name HA
)
( resid 40 and name HA
or resid 156 and name HA
) 3.5 3.5 0.0 volume=1.432 peak=5250 ppm1=4.496 ppm2=5.488
assign ( resid 72 and name HA
or resid 79 and name HA
or resid 111 and name HA
or resid 185 and name H3'
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 3.5 3.5 0.0 volume=5.251 peak=5236 ppm1=4.720 ppm2=6.035
assign ( resid 11 and name HA
or resid 57 and name HA
or resid 92 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 5.0 5.0 0.0 volume=0.970 peak=5237 ppm1=4.831 ppm2=6.036
assign ( resid 5 and name HA
or resid 7 and name HA
or resid 32 and name HA
or resid 64 and name HA
or resid 89 and name HA
or resid 115 and name HA
or resid 122 and name HA
)
( resid 64 and name HE#
or resid 64 and name HE#
or resid 72 and name HE#
or resid 72 and name HE#
) 5.0 5.0 0.0 volume=0.873 peak=5258 ppm1=5.091 ppm2=6.523
assign ( resid 39 and name HD2#
or resid 78 and name HA
or resid 81 and name HA
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 5.0 5.0 0.0 volume=1.129 peak=2032 ppm1=5.799 ppm2=6.035
assign ( resid 51 and name HE#
or resid 51 and name HE#
or resid 72 and name HD#
or resid 72 and name HD#
or resid 97 and name HD1
or resid 169 and name HZ
)
( resid 97 and name HE1
) 5.0 5.0 0.0 volume=0.536 peak=1401 ppm1=6.754 ppm2=11.699
assign ( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 74 and name HE2#
or resid 153 and name HN
)
( resid 64 and name HE#
or resid 64 and name HE#
or resid 72 and name HE#
or resid 72 and name HE#
) 5.0 5.0 0.0 volume=0.713 peak=5256 ppm1=6.920 ppm2=6.522
assign ( resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 153 and name HN
)
( resid 5 and name HN
or resid 185 and name H1
) 5.0 5.0 0.0 volume=0.252 peak=1349 ppm1=6.930 ppm2=10.730
assign ( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 72 and name HN
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 132 and name HD2#
)
( resid 169 and name HN
) 5.0 5.0 0.0 volume=1.157 peak=5257 ppm1=7.012 ppm2=6.576
assign ( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 72 and name HN
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 5.0 5.0 0.0 volume=0.478 peak=5216 ppm1=7.024 ppm2=6.030
assign ( resid 32 and name HE#
or resid 32 and name HE#
or resid 37 and name HZ
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 78 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HD#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 110 and name HE#
or resid 154 and name HD#
or resid 154 and name HD#
)
( resid 78 and name HA
or resid 81 and name HA
) 5.0 5.0 0.0 volume=0.481 peak=5235 ppm1=7.034 ppm2=5.810
assign ( resid 71 and name HN
or resid 144 and name HN
or resid 145 and name HN
or resid 168 and name HN
)
( resid 64 and name HE#
or resid 64 and name HE#
or resid 72 and name HE#
or resid 72 and name HE#
) 5.0 5.0 0.0 volume=0.743 peak=5255 ppm1=7.395 ppm2=6.525
assign ( resid 20 and name HN
or resid 23 and name HN
or resid 26 and name HN
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 56 and name HD#
or resid 59 and name HN
or resid 85 and name HN
or resid 97 and name HZ2
or resid 103 and name HN
or resid 150 and name HN
)
( resid 97 and name HE1
) 5.0 5.0 0.0 volume=0.484 peak=1483 ppm1=7.695 ppm2=11.695
assign ( resid 38 and name HN
or resid 86 and name HN
or resid 147 and name HN
or resid 177 and name HN
)
( resid 103 and name HD2
) 5.0 5.0 0.0 volume=0.938 peak=5218 ppm1=7.826 ppm2=5.981
assign ( resid 65 and name HN
or resid 135 and name HN
or resid 167 and name HN
or resid 184 and name HN
)
( resid 103 and name HD2
) 5.0 5.0 0.0 volume=0.972 peak=5249 ppm1=8.041 ppm2=5.980
assign ( resid 84 and name HN
or resid 111 and name HN
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 5.0 5.0 0.0 volume=0.470 peak=5215 ppm1=8.764 ppm2=6.029
assign ( resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
)
( resid 28 and name HZ
) 5.0 5.0 0.0 volume=0.935 peak=5234 ppm1=-0.023 ppm2=5.912
assign ( resid 72 and name HA
or resid 79 and name HA
or resid 111 and name HA
or resid 185 and name H3'
)
( resid 28 and name HZ
) 5.0 5.0 0.0 volume=1.238 peak=5232 ppm1=4.720 ppm2=5.910
assign ( resid 89 and name HN
or resid 112 and name HN
or resid 138 and name HN
or resid 156 and name HN
or resid 161 and name HN
or resid 167 and name HN
or resid 171 and name HN
or resid 172 and name HN
or resid 184 and name HN
)
( resid 28 and name HZ
) 5.0 5.0 0.0 volume=0.415 peak=5230 ppm1=8.093 ppm2=5.909
assign ( resid 21 and name HD1#
or resid 21 and name HD1#
or resid 21 and name HD1#
or resid 46 and name HD1#
or resid 46 and name HD1#
or resid 46 and name HD1#
or resid 75 and name HG2#
or resid 75 and name HG2#
or resid 75 and name HG2#
or resid 168 and name HG#
or resid 168 and name HG#
or resid 168 and name HG#
)
( resid 40 and name HE#
) 5.0 5.0 0.0 volume=1.033 peak=5213 ppm1=0.056 ppm2=6.141
assign ( resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 21 and name HG1#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 43 and name HG2#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 55 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 61 and name HD#
or resid 79 and name HB#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 84 and name HG#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 129 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 151 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
)
( resid 40 and name HE#
) 3.5 3.5 0.0 volume=2.241 peak=5222 ppm1=1.109 ppm2=6.142
assign ( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 63 and name HB#
or resid 70 and name HG
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HB#
)
( resid 40 and name HE#
) 5.0 5.0 0.0 volume=1.000 peak=5223 ppm1=1.200 ppm2=6.145
assign ( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 53 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 96 and name HB#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 112 and name HD#
or resid 117 and name HG1#
or resid 117 and name HG1#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
)
( resid 40 and name HE#
) 5.0 5.0 0.0 volume=0.533 peak=5224 ppm1=1.272 ppm2=6.144
assign ( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
)
( resid 40 and name HE#
) 5.0 5.0 0.0 volume=0.615 peak=5228 ppm1=2.093 ppm2=6.140
assign ( resid 20 and name HG
or resid 49 and name HB#
or resid 49 and name HG#
or resid 74 and name HG#
or resid 81 and name HB#
or resid 91 and name HB#
or resid 95 and name HG#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 123 and name HG#
or resid 123 and name HG#
or resid 162 and name HB#
)
( resid 40 and name HE#
) 5.0 5.0 0.0 volume=0.727 peak=5226 ppm1=2.243 ppm2=6.141
assign ( resid 8 and name HB
or resid 57 and name HB#
or resid 62 and name HG#
or resid 62 and name HG#
or resid 74 and name HB#
or resid 96 and name HE#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 109 and name HB#
or resid 127 and name HG#
or resid 140 and name HG#
or resid 150 and name HB#
or resid 156 and name HG#
or resid 169 and name HB#
or resid 178 and name HG#
or resid 178 and name HG#
or resid 181 and name HG#
or resid 181 and name HG#
or resid 182 and name HB#
)
( resid 40 and name HE#
) 5.0 5.0 0.0 volume=0.964 peak=5225 ppm1=2.317 ppm2=6.143
assign ( resid 26 and name HB#
or resid 27 and name HE#
or resid 27 and name HE#
or resid 28 and name HB#
or resid 28 and name HB#
or resid 92 and name HB#
or resid 110 and name HB#
or resid 121 and name HB#
or resid 153 and name HE#
or resid 163 and name HE#
or resid 163 and name HE#
)
( resid 40 and name HE#
) 5.0 5.0 0.0 volume=0.622 peak=5227 ppm1=2.939 ppm2=6.145
assign ( resid 11 and name HA
or resid 57 and name HA
or resid 92 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
)
( resid 40 and name HE#
) 5.0 5.0 0.0 volume=0.702 peak=5220 ppm1=4.835 ppm2=6.144
assign ( resid 34 and name HA
or resid 38 and name HA
or resid 39 and name HA
or resid 51 and name HA
or resid 52 and name HA
or resid 76 and name HA
or resid 113 and name HA
)
( resid 40 and name HE#
) 5.0 5.0 0.0 volume=0.377 peak=5221 ppm1=4.973 ppm2=6.144
assign ( resid 2 and name HE2#
or resid 10 and name HN
or resid 23 and name HE#
or resid 23 and name HE#
or resid 26 and name HD2#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 28 and name HD#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 37 and name HE#
or resid 58 and name HN
or resid 70 and name HN
or resid 74 and name HE2#
or resid 134 and name HE2#
)
( resid 40 and name HE#
) 5.0 5.0 0.0 volume=0.618 peak=5229 ppm1=6.904 ppm2=6.139
assign ( resid 25 and name HG2#
or resid 25 and name HG2#
or resid 25 and name HG2#
or resid 46 and name HD1#
or resid 46 and name HD1#
or resid 46 and name HD1#
or resid 145 and name HD#
or resid 145 and name HD#
or resid 145 and name HD#
)
( resid 90 and name HD#
) 5.0 5.0 0.0 volume=0.591 peak=5203 ppm1=0.160 ppm2=6.076
assign ( resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 137 and name HG2#
or resid 137 and name HG2#
or resid 137 and name HG2#
)
( resid 90 and name HD#
) 5.0 5.0 0.0 volume=0.625 peak=5202 ppm1=0.308 ppm2=6.077
assign ( resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 137 and name HD1#
or resid 137 and name HD1#
or resid 137 and name HD1#
)
( resid 90 and name HD#
) 5.0 5.0 0.0 volume=1.303 peak=5204 ppm1=0.532 ppm2=6.073
assign ( resid 4 and name HD1#
or resid 4 and name HD1#
or resid 4 and name HD1#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 85 and name HG#
or resid 96 and name HD#
or resid 96 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 98 and name HG#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 111 and name HD#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 115 and name HG2#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 142 and name HB#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 155 and name HG#
or resid 173 and name HG2#
or resid 173 and name HG2#
or resid 173 and name HG2#
)
( resid 90 and name HD#
) 5.0 5.0 0.0 volume=0.538 peak=5205 ppm1=0.679 ppm2=6.074
assign ( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 63 and name HB#
or resid 70 and name HG
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 153 and name HG#
or resid 153 and name HG#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HB#
)
( resid 90 and name HD#
) 5.0 5.0 0.0 volume=0.617 peak=5208 ppm1=1.202 ppm2=6.074
assign ( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 17 and name HG2#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 94 and name HG#
or resid 94 and name HG#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 102 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 126 and name HG1#
or resid 137 and name HG1#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
)
( resid 90 and name HD#
) 5.0 5.0 0.0 volume=0.709 peak=5206 ppm1=1.306 ppm2=6.075
assign ( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 133 and name HA
or resid 137 and name HA
or resid 144 and name HA
or resid 162 and name HA
)
( resid 90 and name HD#
) 3.5 3.5 0.0 volume=1.868 peak=5210 ppm1=3.987 ppm2=6.075
assign ( resid 2 and name HA
or resid 33 and name HA
or resid 35 and name HB
or resid 73 and name HA
or resid 84 and name HA
or resid 87 and name HA
or resid 88 and name HA
or resid 96 and name HA
or resid 103 and name HA
or resid 104 and name HA
or resid 124 and name HA
or resid 130 and name HA
or resid 164 and name HA#
or resid 167 and name HA
or resid 177 and name HA
or resid 183 and name HA
)
( resid 90 and name HD#
) 5.0 5.0 0.0 volume=0.613 peak=5211 ppm1=4.313 ppm2=6.076
assign ( resid 37 and name HN
or resid 64 and name HN
or resid 67 and name HN
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 104 and name HN
)
( resid 90 and name HD#
) 5.0 5.0 0.0 volume=0.859 peak=5199 ppm1=7.232 ppm2=6.079
assign ( resid 28 and name HN
or resid 39 and name HN
or resid 83 and name HN
or resid 91 and name HN
or resid 92 and name HN
or resid 96 and name HN
or resid 129 and name HN
or resid 133 and name HN
or resid 134 and name HN
or resid 174 and name HN
)
( resid 90 and name HD#
) 5.0 5.0 0.0 volume=0.462 peak=5201 ppm1=8.183 ppm2=6.075
assign ( resid 29 and name HA
or resid 33 and name HA
or resid 35 and name HB
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 103 and name HA
or resid 104 and name HA
or resid 159 and name HA
or resid 170 and name HA
or resid 177 and name HA
)
( resid 103 and name HD2
) 5.0 5.0 0.0 volume=0.753 peak=5244 ppm1=4.279 ppm2=5.981
assign ( resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 37 and name HB#
or resid 39 and name HB#
or resid 53 and name HB#
or resid 61 and name HG
or resid 62 and name HB#
or resid 62 and name HB#
or resid 87 and name HB#
or resid 87 and name HB#
or resid 95 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 119 and name HB#
or resid 119 and name HB#
or resid 127 and name HB#
or resid 127 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 136 and name HB#
or resid 136 and name HB#
or resid 140 and name HB#
or resid 153 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 173 and name HB
or resid 179 and name HG#
or resid 179 and name HG#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 182 and name HG#
or resid 182 and name HG#
)
( resid 185 and name H1
) 5.0 5.0 0.0 volume=0.499 peak=2056 ppm1=2.098 ppm2=10.732
assign ( resid 49 and name HG#
or resid 74 and name HB#
or resid 95 and name HG#
or resid 96 and name HE#
or resid 100 and name HB#
or resid 100 and name HB#
or resid 127 and name HG#
or resid 150 and name HB#
or resid 156 and name HG#
)
( resid 185 and name H1
) 5.0 5.0 0.0 volume=0.304 peak=2071 ppm1=2.292 ppm2=10.733
assign ( resid 3 and name HB
or resid 22 and name HB#
or resid 22 and name HB#
or resid 30 and name HA
or resid 95 and name HA
or resid 108 and name HB
or resid 129 and name HA
or resid 131 and name HA
or resid 139 and name HA
or resid 145 and name HA
or resid 155 and name HA
or resid 184 and name HA
)
( resid 185 and name H1
) 5.0 5.0 0.0 volume=0.267 peak=2099 ppm1=4.160 ppm2=10.734
assign ( resid 32 and name HN
or resid 40 and name HN
or resid 52 and name HN
or resid 80 and name HN
or resid 107 and name HN
or resid 114 and name HN
or resid 118 and name HN
or resid 143 and name HN
or resid 152 and name HN
or resid 157 and name HN
)
( resid 185 and name H1
) 5.0 5.0 0.0 volume=0.248 peak=2041 ppm1=8.839 ppm2=10.735
assign ( resid 185 and name H8
)
( resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 90 and name HD#
or resid 110 and name HA
or resid 185 and name H1'
) 3.5 3.5 0.0 volume=1.980 peak=5217 ppm1=8.091 ppm2=6.035
assign ( resid 1075 and name HD1#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 120 and name HG#
or resid 120 and name HG#
or resid 128 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 150 and name HG#
or resid 150 and name HG#
or resid 163 and name HG#
or resid 163 and name HG#
or resid 173 and name HG1#
or resid 173 and name HG1#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
) 5.0 5.0 0.0 volume=-0.573 peak=664 ppm1=0.842 ppm2=1.425
assign ( resid 1075 and name HD1#
)
( resid 7 and name HB
or resid 36 and name HB
or resid 44 and name HB
or resid 46 and name HB
or resid 55 and name HG
or resid 66 and name HB#
or resid 68 and name HB#
or resid 95 and name HB#
or resid 120 and name HB#
or resid 145 and name HB#
or resid 156 and name HG#
or resid 163 and name HB#
or resid 166 and name HD#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 174 and name HG
or resid 177 and name HG
or resid 183 and name HB#
or resid 184 and name HB#
) 3.5 3.5 0.0 volume=-1.876 peak=665 ppm1=0.841 ppm2=1.835
assign ( resid 1075 and name HD1#
)
( resid 1 and name HB#
or resid 1 and name HB#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 1 and name HE#
or resid 19 and name HG
or resid 33 and name HB
or resid 39 and name HB#
or resid 45 and name HB#
or resid 45 and name HB#
or resid 61 and name HB#
or resid 62 and name HB#
or resid 68 and name HB#
or resid 96 and name HE#
or resid 107 and name HB#
or resid 112 and name HG
or resid 117 and name HB
or resid 123 and name HB#
or resid 128 and name HB#
or resid 128 and name HB#
or resid 131 and name HB#
or resid 133 and name HB#
or resid 134 and name HB#
or resid 134 and name HB#
or resid 139 and name HB#
or resid 140 and name HB#
or resid 143 and name HB#
or resid 144 and name HB#
or resid 147 and name HB#
or resid 147 and name HB#
or resid 165 and name HB#
or resid 166 and name HB#
or resid 168 and name HB
or resid 171 and name HG#
or resid 173 and name HB
or resid 178 and name HB#
or resid 178 and name HB#
or resid 180 and name HG#
or resid 180 and name HG#
or resid 181 and name HB#
or resid 182 and name HG#
or resid 182 and name HG#
) 5.0 5.0 0.0 volume=-0.763 peak=666 ppm1=0.843 ppm2=2.063
assign ( resid 1075 and name HD1#
)
( resid 1 and name HG#
or resid 1 and name HG#
or resid 23 and name HB#
or resid 45 and name HG#
or resid 45 and name HG#
or resid 51 and name HB#
or resid 81 and name HB#
or resid 100 and name HG#
or resid 100 and name HG#
or resid 106 and name HB#
or resid 121 and name HB#
or resid 139 and name HB#
or resid 170 and name HB#
or resid 171 and name HG#
) 5.0 5.0 0.0 volume=-0.430 peak=685 ppm1=0.841 ppm2=2.548
assign ( resid 1075 and name HD1#
)
( resid 24 and name HB
or resid 25 and name HB
or resid 30 and name HB#
or resid 35 and name HA
or resid 117 and name HA
or resid 125 and name HB
or resid 139 and name HD#
or resid 141 and name HA
or resid 164 and name HA#
or resid 165 and name HA
or resid 174 and name HA
or resid 180 and name HD#
or resid 182 and name HD#
) 5.0 5.0 0.0 volume=-0.517 peak=1550 ppm1=0.841 ppm2=3.891
assign ( resid 1075 and name HD1#
)
( resid 29 and name HA
or resid 33 and name HA
or resid 35 and name HB
or resid 44 and name HA
or resid 62 and name HA
or resid 102 and name HB
or resid 103 and name HA
or resid 104 and name HA
or resid 124 and name HA
or resid 159 and name HA
or resid 170 and name HA
or resid 177 and name HA
) 3.5 3.5 0.0 volume=-1.915 peak=1562 ppm1=0.842 ppm2=4.283
assign ( resid 1081 and name HD#
)
( resid 25 and name HG2#
or resid 25 and name HG2#
or resid 25 and name HG2#
or resid 46 and name HD1#
or resid 46 and name HD1#
or resid 46 and name HD1#
) 5.0 5.0 0.0 volume=-0.610 peak=2474 ppm1=6.900 ppm2=0.115
assign ( resid 1081 and name HD#
)
( resid 3 and name HG2#
or resid 3 and name HG2#
or resid 3 and name HG2#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 8 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 9 and name HG#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 20 and name HD#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 24 and name HG2#
or resid 27 and name HG#
or resid 27 and name HG#
or resid 63 and name HB#
or resid 70 and name HG
or resid 101 and name HG1#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 141 and name HG2#
or resid 160 and name HB#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 161 and name HG2#
or resid 165 and name HB#
or resid 165 and name HD#
or resid 165 and name HD#
or resid 165 and name HD#
) 5.0 5.0 0.0 volume=-0.457 peak=2476 ppm1=6.898 ppm2=1.183
assign ( resid 1081 and name HE#
)
( resid 25 and name HG2#
or resid 25 and name HG2#
or resid 25 and name HG2#
or resid 46 and name HD1#
or resid 46 and name HD1#
or resid 46 and name HD1#
) 5.0 5.0 0.0 volume=-0.462 peak=2473 ppm1=7.008 ppm2=0.108
assign ( resid 1082 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 94 and name HG#
or resid 94 and name HG#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 137 and name HG1#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
) 5.0 5.0 0.0 volume=0.564 peak=551 ppm1=2.056 ppm2=1.329
assign ( resid 1082 and name HG#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 94 and name HG#
or resid 94 and name HG#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 137 and name HG1#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
) 5.0 5.0 0.0 volume=0.643 peak=549 ppm1=2.215 ppm2=1.329
assign ( resid 1084 and name HG2#
)
( resid 7 and name HG#
or resid 7 and name HG#
or resid 7 and name HG#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 13 and name HB#
or resid 27 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 41 and name HB#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 93 and name HG#
or resid 94 and name HG#
or resid 94 and name HG#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 108 and name HG2#
or resid 111 and name HB#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 125 and name HG2#
or resid 137 and name HG1#
or resid 138 and name HG2#
or resid 138 and name HG2#
or resid 138 and name HG2#
) 3.5 3.5 0.0 volume=2.850 peak=552 ppm1=1.092 ppm2=1.331
assign ( resid 1085 and name HD1#
)
( resid 79 and name HA
or resid 92 and name HA
or resid 108 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
) 3.5 3.5 0.0 volume=-1.650 peak=2489 ppm1=0.744 ppm2=4.799
assign ( resid 1086 and name HD2
)
( resid 79 and name HA
or resid 92 and name HA
or resid 108 and name HA
or resid 121 and name HA
or resid 134 and name HA
or resid 135 and name HA
or resid 179 and name HA
) 3.5 3.5 0.0 volume=-2.865 peak=1570 ppm1=7.126 ppm2=4.799
assign ( resid 1087 and name HG#
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 105 and name HB#
or resid 120 and name HA
or resid 126 and name HA
) 5.0 5.0 0.0 volume=0.411 peak=754 ppm1=1.147 ppm2=3.619
assign ( resid 1087 and name HG#
)
( resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
) 3.5 3.5 0.0 volume=1.974 peak=1002 ppm1=1.151 ppm2=0.572
assign ( resid 1087 and name HG#
)
( resid 35 and name HN
or resid 36 and name HG#
or resid 36 and name HG#
or resid 36 and name HG#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 101 and name HB
) 5.0 5.0 0.0 volume=0.607 peak=886 ppm1=1.021 ppm2=0.429
assign ( resid 1087 and name HG#
)
( resid 12 and name HA#
or resid 12 and name HA#
or resid 13 and name HA
or resid 34 and name HD#
or resid 34 and name HD#
or resid 36 and name HA
or resid 75 and name HB
or resid 98 and name HA
or resid 105 and name HB#
or resid 126 and name HA
) 5.0 5.0 0.0 volume=0.402 peak=881 ppm1=1.025 ppm2=3.613
assign ( resid 1096 and name HE#
)
( resid 64 and name HE#
or resid 64 and name HE#
or resid 72 and name HE#
or resid 72 and name HE#
) 5.0 5.0 0.0 volume=-0.525 peak=2483 ppm1=7.299 ppm2=6.528
assign ( resid 1099 and name HE#
)
( resid 70 and name HB#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 92 and name HD2#
or resid 137 and name HG2#
or resid 137 and name HG2#
or resid 137 and name HG2#
) 3.5 3.5 0.0 volume=1.429 peak=1606 ppm1=1.645 ppm2=0.327
assign ( resid 1099 and name HE#
)
( resid 35 and name HN
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 101 and name HB
) 3.5 3.5 0.0 volume=1.717 peak=1124 ppm1=1.644 ppm2=0.399
assign ( resid 1099 and name HE#
)
( resid 43 and name HB
or resid 47 and name HA#
or resid 47 and name HA#
or resid 67 and name HA
or resid 88 and name HB#
or resid 88 and name HB#
or resid 90 and name HA
or resid 91 and name HA
or resid 94 and name HA
or resid 123 and name HD#
or resid 133 and name HA
or resid 137 and name HA
or resid 144 and name HA
) 5.0 5.0 0.0 volume=0.723 peak=746 ppm1=1.643 ppm2=3.976
assign ( resid 1099 and name HE#
)
( resid 27 and name HN
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 37 and name HD#
or resid 64 and name HD#
or resid 64 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 82 and name HD#
or resid 121 and name HN
) 5.0 5.0 0.0 volume=0.903 peak=701 ppm1=1.650 ppm2=7.189
assign ( resid 1103 and name HZ2
)
( resid 17 and name HA
or resid 23 and name HA
or resid 44 and name HA
or resid 48 and name HA#
or resid 62 and name HA
or resid 71 and name HA
or resid 86 and name HB#
or resid 100 and name HA
or resid 102 and name HB
or resid 123 and name HA
or resid 127 and name HA
or resid 145 and name HA
or resid 147 and name HA
or resid 161 and name HA
or resid 163 and name HA
or resid 170 and name HA
) 5.0 5.0 0.0 volume=-0.556 peak=977 ppm1=6.887 ppm2=4.230
assign ( resid 1107 and name HD#
)
( resid 46 and name HG1#
or resid 67 and name HB#
or resid 67 and name HG
or resid 120 and name HG#
or resid 120 and name HG#
or resid 128 and name HG#
or resid 133 and name HG#
or resid 133 and name HG#
or resid 135 and name HG#
or resid 145 and name HG
or resid 163 and name HG#
or resid 163 and name HG#
or resid 174 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 175 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 176 and name HB#
or resid 184 and name HG#
or resid 184 and name HG#
) 5.0 5.0 0.0 volume=0.930 peak=1417 ppm1=0.739 ppm2=1.441
assign ( resid 1107 and name HD#
)
( resid 66 and name HG#
or resid 66 and name HG#
or resid 67 and name HB#
or resid 94 and name HD#
or resid 94 and name HD#
or resid 119 and name HG
or resid 120 and name HB#
or resid 128 and name HG#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 130 and name HB#
or resid 135 and name HB#
or resid 147 and name HG#
or resid 163 and name HB#
) 3.5 3.5 0.0 volume=1.959 peak=1473 ppm1=0.741 ppm2=1.650
assign ( resid 1107 and name HD#
)
( resid 2 and name HB#
or resid 2 and name HB#
or resid 4 and name HB
or resid 19 and name HB#
or resid 20 and name HB#
or resid 20 and name HB#
or resid 29 and name HB#
or resid 66 and name HB#
or resid 107 and name HD#
or resid 107 and name HD#
or resid 109 and name HB#
or resid 128 and name HD#
or resid 131 and name HD#
or resid 131 and name HD#
or resid 131 and name HG#
or resid 133 and name HD#
or resid 133 and name HD#
or resid 144 and name HD#
or resid 149 and name HB#
or resid 153 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 159 and name HB#
or resid 171 and name HB#
or resid 171 and name HB#
or resid 174 and name HB#
or resid 177 and name HG
or resid 183 and name HB#
or resid 183 and name HD#
or resid 183 and name HD#
or resid 184 and name HB#
) 5.0 5.0 0.0 volume=1.071 peak=1478 ppm1=0.745 ppm2=1.785
assign ( resid 1107 and name HD#
)
( resid 70 and name HB#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 92 and name HD2#
or resid 137 and name HG2#
or resid 137 and name HG2#
or resid 137 and name HG2#
) 3.5 3.5 0.0 volume=2.920 peak=1482 ppm1=0.732 ppm2=0.352
assign ( resid 1107 and name HD#
)
( resid 66 and name HD#
or resid 66 and name HD#
or resid 72 and name HB#
or resid 72 and name HB#
or resid 147 and name HD#
) 3.5 3.5 0.0 volume=1.211 peak=1613 ppm1=0.740 ppm2=3.251
assign ( resid 1107 and name HD#
)
( resid 46 and name HG2#
or resid 46 and name HG2#
or resid 46 and name HG2#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 67 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 79 and name HD#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 113 and name HG#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 117 and name HD1#
or resid 137 and name HD1#
or resid 137 and name HD1#
or resid 137 and name HD1#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 160 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
or resid 177 and name HD#
) 2.8 2.8 0.0 volume=4.037 peak=1626 ppm1=0.756 ppm2=0.561
assign ( resid 1107 and name HD#
)
( resid 70 and name HB#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 70 and name HD#
or resid 101 and name HB
) 3.5 3.5 0.0 volume=2.307 peak=1610 ppm1=0.768 ppm2=0.379
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